USER MOD reduce.3.24.130724 H: found=0, std=0, add=414, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 418 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 655 SER OG : rot -1:sc= -5.39! USER MOD Set 1.2: A 677 THR OG1 : rot 62:sc= 1.89 USER MOD Single : A 654 TYR OH : rot 180:sc= -0.222 USER MOD Single : A 657 GLN : amide:sc= -0.304 X(o=-0.3,f=-0.035) USER MOD Single : A 661 TYR OH : rot 165:sc= -1.48! USER MOD Single : A 662 TYR OH : rot 180:sc= 0 USER MOD Single : A 664 SER OG : rot 10:sc= 1.06 USER MOD Single : A 667 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 676 LYS NZ :NH3+ -150:sc=-0.00396 (180deg=-0.458) USER MOD Single : A 679 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0808) USER MOD Single : A 680 ASN : amide:sc= -0.336 K(o=-0.34,f=-1.6) USER MOD Single : A 681 LYS NZ :NH3+ -154:sc= -0.0319 (180deg=-0.58) USER MOD Single : A 682 GLN : amide:sc= -0.0659 X(o=-0.066,f=0) USER MOD Single : A 683 ASN : amide:sc= -0.343 K(o=-0.34,f=-3!) USER MOD Single : B 410 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 411 HIS : no HD1:sc= -0.278 X(o=-0.28,f=-0.12) USER MOD Single : B 412 ASN : amide:sc= -0.0266 K(o=-0.027,f=-1.1) USER MOD Single : B 413 MET CE :methyl -162:sc= 0 (180deg=-0.501) USER MOD Single : B 415 SER OG : rot 180:sc= -0.293 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 651 7.660 1.210 15.700 1.00 0.00 N ATOM 2 CA GLY A 651 6.974 2.047 14.677 1.00 0.00 C ATOM 3 C GLY A 651 7.324 1.635 13.260 1.00 0.00 C ATOM 4 O GLY A 651 8.360 1.015 13.025 1.00 0.00 O ATOM 0 HA2 GLY A 651 5.895 1.975 14.817 1.00 0.00 H new ATOM 0 HA3 GLY A 651 7.246 3.092 14.826 1.00 0.00 H new ATOM 9 N ALA A 652 6.457 1.981 12.315 1.00 0.00 N ATOM 10 CA ALA A 652 6.679 1.643 10.914 1.00 0.00 C ATOM 11 C ALA A 652 6.134 2.730 9.994 1.00 0.00 C ATOM 12 O ALA A 652 6.896 3.446 9.343 1.00 0.00 O ATOM 13 CB ALA A 652 6.037 0.303 10.588 1.00 0.00 C ATOM 0 H ALA A 652 5.594 2.495 12.493 1.00 0.00 H new ATOM 0 HA ALA A 652 7.754 1.569 10.749 1.00 0.00 H new ATOM 0 HB1 ALA A 652 6.210 0.062 9.539 1.00 0.00 H new ATOM 0 HB2 ALA A 652 6.476 -0.473 11.215 1.00 0.00 H new ATOM 0 HB3 ALA A 652 4.965 0.358 10.776 1.00 0.00 H new ATOM 19 N ASP A 653 4.812 2.849 9.945 1.00 0.00 N ATOM 20 CA ASP A 653 4.164 3.850 9.104 1.00 0.00 C ATOM 21 C ASP A 653 4.532 3.648 7.639 1.00 0.00 C ATOM 22 O ASP A 653 4.678 4.611 6.885 1.00 0.00 O ATOM 23 CB ASP A 653 4.556 5.258 9.556 1.00 0.00 C ATOM 24 CG ASP A 653 3.788 6.337 8.818 1.00 0.00 C ATOM 25 OD1 ASP A 653 2.547 6.228 8.729 1.00 0.00 O ATOM 26 OD2 ASP A 653 4.428 7.291 8.327 1.00 0.00 O ATOM 0 H ASP A 653 4.167 2.265 10.478 1.00 0.00 H new ATOM 0 HA ASP A 653 3.085 3.733 9.207 1.00 0.00 H new ATOM 0 HB2 ASP A 653 4.377 5.356 10.627 1.00 0.00 H new ATOM 0 HB3 ASP A 653 5.625 5.403 9.397 1.00 0.00 H new ATOM 31 N TYR A 654 4.678 2.390 7.244 1.00 0.00 N ATOM 32 CA TYR A 654 5.028 2.054 5.864 1.00 0.00 C ATOM 33 C TYR A 654 3.850 2.260 4.915 1.00 0.00 C ATOM 34 O TYR A 654 4.011 2.172 3.699 1.00 0.00 O ATOM 35 CB TYR A 654 5.521 0.604 5.761 1.00 0.00 C ATOM 36 CG TYR A 654 4.677 -0.428 6.498 1.00 0.00 C ATOM 37 CD1 TYR A 654 3.469 -0.097 7.118 1.00 0.00 C ATOM 38 CD2 TYR A 654 5.107 -1.750 6.582 1.00 0.00 C ATOM 39 CE1 TYR A 654 2.730 -1.042 7.790 1.00 0.00 C ATOM 40 CE2 TYR A 654 4.363 -2.702 7.254 1.00 0.00 C ATOM 41 CZ TYR A 654 3.178 -2.342 7.857 1.00 0.00 C ATOM 42 OH TYR A 654 2.437 -3.287 8.530 1.00 0.00 O ATOM 0 H TYR A 654 4.560 1.583 7.857 1.00 0.00 H new ATOM 0 HA TYR A 654 5.831 2.729 5.568 1.00 0.00 H new ATOM 0 HB2 TYR A 654 5.565 0.327 4.708 1.00 0.00 H new ATOM 0 HB3 TYR A 654 6.540 0.557 6.146 1.00 0.00 H new ATOM 0 HD1 TYR A 654 3.109 0.920 7.068 1.00 0.00 H new ATOM 0 HD2 TYR A 654 6.037 -2.036 6.114 1.00 0.00 H new ATOM 0 HE1 TYR A 654 1.800 -0.765 8.264 1.00 0.00 H new ATOM 0 HE2 TYR A 654 4.709 -3.724 7.306 1.00 0.00 H new ATOM 0 HH TYR A 654 2.891 -4.154 8.482 1.00 0.00 H new ATOM 52 N SER A 655 2.673 2.531 5.470 1.00 0.00 N ATOM 53 CA SER A 655 1.471 2.738 4.670 1.00 0.00 C ATOM 54 C SER A 655 1.731 3.634 3.465 1.00 0.00 C ATOM 55 O SER A 655 1.108 3.473 2.417 1.00 0.00 O ATOM 56 CB SER A 655 0.368 3.332 5.537 1.00 0.00 C ATOM 57 OG SER A 655 -0.065 2.398 6.504 1.00 0.00 O ATOM 0 H SER A 655 2.526 2.613 6.476 1.00 0.00 H new ATOM 0 HA SER A 655 1.156 1.766 4.290 1.00 0.00 H new ATOM 0 HB2 SER A 655 0.733 4.232 6.032 1.00 0.00 H new ATOM 0 HB3 SER A 655 -0.473 3.631 4.911 1.00 0.00 H new ATOM 0 HG SER A 655 0.431 1.560 6.394 1.00 0.00 H new ATOM 63 N ALA A 656 2.651 4.574 3.610 1.00 0.00 N ATOM 64 CA ALA A 656 2.972 5.475 2.514 1.00 0.00 C ATOM 65 C ALA A 656 3.568 4.711 1.351 1.00 0.00 C ATOM 66 O ALA A 656 2.974 4.623 0.277 1.00 0.00 O ATOM 67 CB ALA A 656 3.931 6.562 2.968 1.00 0.00 C ATOM 0 H ALA A 656 3.184 4.733 4.465 1.00 0.00 H new ATOM 0 HA ALA A 656 2.045 5.946 2.187 1.00 0.00 H new ATOM 0 HB1 ALA A 656 4.155 7.222 2.130 1.00 0.00 H new ATOM 0 HB2 ALA A 656 3.473 7.138 3.772 1.00 0.00 H new ATOM 0 HB3 ALA A 656 4.853 6.106 3.328 1.00 0.00 H new ATOM 73 N GLN A 657 4.747 4.161 1.575 1.00 0.00 N ATOM 74 CA GLN A 657 5.425 3.402 0.545 1.00 0.00 C ATOM 75 C GLN A 657 4.674 2.107 0.250 1.00 0.00 C ATOM 76 O GLN A 657 4.829 1.519 -0.821 1.00 0.00 O ATOM 77 CB GLN A 657 6.862 3.091 0.968 1.00 0.00 C ATOM 78 CG GLN A 657 7.852 3.099 -0.185 1.00 0.00 C ATOM 79 CD GLN A 657 8.535 4.443 -0.356 1.00 0.00 C ATOM 80 OE1 GLN A 657 8.519 5.026 -1.441 1.00 0.00 O ATOM 81 NE2 GLN A 657 9.139 4.940 0.716 1.00 0.00 N ATOM 0 H GLN A 657 5.252 4.226 2.459 1.00 0.00 H new ATOM 0 HA GLN A 657 5.449 4.005 -0.363 1.00 0.00 H new ATOM 0 HB2 GLN A 657 7.179 3.821 1.713 1.00 0.00 H new ATOM 0 HB3 GLN A 657 6.886 2.114 1.450 1.00 0.00 H new ATOM 0 HG2 GLN A 657 8.607 2.331 -0.017 1.00 0.00 H new ATOM 0 HG3 GLN A 657 7.332 2.839 -1.107 1.00 0.00 H new ATOM 0 HE21 GLN A 657 9.127 4.422 1.595 1.00 0.00 H new ATOM 0 HE22 GLN A 657 9.616 5.840 0.661 1.00 0.00 H new ATOM 90 N TRP A 658 3.866 1.661 1.212 1.00 0.00 N ATOM 91 CA TRP A 658 3.102 0.429 1.058 1.00 0.00 C ATOM 92 C TRP A 658 1.796 0.674 0.320 1.00 0.00 C ATOM 93 O TRP A 658 1.296 -0.219 -0.360 1.00 0.00 O ATOM 94 CB TRP A 658 2.814 -0.209 2.420 1.00 0.00 C ATOM 95 CG TRP A 658 3.763 -1.311 2.789 1.00 0.00 C ATOM 96 CD1 TRP A 658 3.452 -2.467 3.444 1.00 0.00 C ATOM 97 CD2 TRP A 658 5.173 -1.362 2.531 1.00 0.00 C ATOM 98 NE1 TRP A 658 4.580 -3.233 3.611 1.00 0.00 N ATOM 99 CE2 TRP A 658 5.648 -2.577 3.059 1.00 0.00 C ATOM 100 CE3 TRP A 658 6.082 -0.503 1.907 1.00 0.00 C ATOM 101 CZ2 TRP A 658 6.986 -2.950 2.980 1.00 0.00 C ATOM 102 CZ3 TRP A 658 7.410 -0.875 1.830 1.00 0.00 C ATOM 103 CH2 TRP A 658 7.851 -2.090 2.364 1.00 0.00 C ATOM 0 H TRP A 658 3.726 2.136 2.104 1.00 0.00 H new ATOM 0 HA TRP A 658 3.710 -0.256 0.466 1.00 0.00 H new ATOM 0 HB2 TRP A 658 2.854 0.564 3.188 1.00 0.00 H new ATOM 0 HB3 TRP A 658 1.798 -0.604 2.418 1.00 0.00 H new ATOM 0 HD1 TRP A 658 2.463 -2.740 3.782 1.00 0.00 H new ATOM 0 HE1 TRP A 658 4.616 -4.143 4.071 1.00 0.00 H new ATOM 0 HE3 TRP A 658 5.751 0.437 1.491 1.00 0.00 H new ATOM 0 HZ2 TRP A 658 7.329 -3.888 3.392 1.00 0.00 H new ATOM 0 HZ3 TRP A 658 8.119 -0.217 1.350 1.00 0.00 H new ATOM 0 HH2 TRP A 658 8.896 -2.354 2.288 1.00 0.00 H new ATOM 114 N ALA A 659 1.255 1.884 0.420 1.00 0.00 N ATOM 115 CA ALA A 659 0.027 2.194 -0.286 1.00 0.00 C ATOM 116 C ALA A 659 0.397 2.621 -1.690 1.00 0.00 C ATOM 117 O ALA A 659 -0.349 2.408 -2.643 1.00 0.00 O ATOM 118 CB ALA A 659 -0.769 3.280 0.429 1.00 0.00 C ATOM 0 H ALA A 659 1.642 2.649 0.973 1.00 0.00 H new ATOM 0 HA ALA A 659 -0.615 1.314 -0.318 1.00 0.00 H new ATOM 0 HB1 ALA A 659 -1.683 3.487 -0.128 1.00 0.00 H new ATOM 0 HB2 ALA A 659 -1.024 2.942 1.433 1.00 0.00 H new ATOM 0 HB3 ALA A 659 -0.169 4.188 0.493 1.00 0.00 H new ATOM 124 N GLU A 660 1.595 3.190 -1.799 1.00 0.00 N ATOM 125 CA GLU A 660 2.135 3.622 -3.070 1.00 0.00 C ATOM 126 C GLU A 660 2.098 2.475 -4.055 1.00 0.00 C ATOM 127 O GLU A 660 1.856 2.661 -5.248 1.00 0.00 O ATOM 128 CB GLU A 660 3.576 4.090 -2.883 1.00 0.00 C ATOM 129 CG GLU A 660 3.810 5.497 -3.368 1.00 0.00 C ATOM 130 CD GLU A 660 5.157 6.048 -2.946 1.00 0.00 C ATOM 131 OE1 GLU A 660 6.101 5.246 -2.779 1.00 0.00 O ATOM 132 OE2 GLU A 660 5.270 7.281 -2.783 1.00 0.00 O ATOM 0 H GLU A 660 2.212 3.361 -1.005 1.00 0.00 H new ATOM 0 HA GLU A 660 1.535 4.447 -3.454 1.00 0.00 H new ATOM 0 HB2 GLU A 660 3.837 4.028 -1.827 1.00 0.00 H new ATOM 0 HB3 GLU A 660 4.243 3.413 -3.416 1.00 0.00 H new ATOM 0 HG2 GLU A 660 3.739 5.518 -4.455 1.00 0.00 H new ATOM 0 HG3 GLU A 660 3.022 6.144 -2.984 1.00 0.00 H new ATOM 139 N TYR A 661 2.335 1.282 -3.534 1.00 0.00 N ATOM 140 CA TYR A 661 2.325 0.089 -4.348 1.00 0.00 C ATOM 141 C TYR A 661 0.925 -0.184 -4.849 1.00 0.00 C ATOM 142 O TYR A 661 0.661 -0.152 -6.046 1.00 0.00 O ATOM 143 CB TYR A 661 2.865 -1.081 -3.533 1.00 0.00 C ATOM 144 CG TYR A 661 4.329 -0.915 -3.235 1.00 0.00 C ATOM 145 CD1 TYR A 661 5.203 -0.601 -4.257 1.00 0.00 C ATOM 146 CD2 TYR A 661 4.839 -1.046 -1.949 1.00 0.00 C ATOM 147 CE1 TYR A 661 6.540 -0.421 -4.028 1.00 0.00 C ATOM 148 CE2 TYR A 661 6.188 -0.870 -1.701 1.00 0.00 C ATOM 149 CZ TYR A 661 7.037 -0.555 -2.746 1.00 0.00 C ATOM 150 OH TYR A 661 8.380 -0.371 -2.508 1.00 0.00 O ATOM 0 H TYR A 661 2.537 1.119 -2.547 1.00 0.00 H new ATOM 0 HA TYR A 661 2.966 0.227 -5.218 1.00 0.00 H new ATOM 0 HB2 TYR A 661 2.309 -1.162 -2.599 1.00 0.00 H new ATOM 0 HB3 TYR A 661 2.707 -2.011 -4.080 1.00 0.00 H new ATOM 0 HD1 TYR A 661 4.822 -0.495 -5.262 1.00 0.00 H new ATOM 0 HD2 TYR A 661 4.174 -1.288 -1.133 1.00 0.00 H new ATOM 0 HE1 TYR A 661 7.203 -0.176 -4.845 1.00 0.00 H new ATOM 0 HE2 TYR A 661 6.576 -0.978 -0.699 1.00 0.00 H new ATOM 0 HH TYR A 661 8.530 -0.262 -1.546 1.00 0.00 H new ATOM 160 N TYR A 662 0.021 -0.423 -3.924 1.00 0.00 N ATOM 161 CA TYR A 662 -1.363 -0.677 -4.272 1.00 0.00 C ATOM 162 C TYR A 662 -1.941 0.493 -5.050 1.00 0.00 C ATOM 163 O TYR A 662 -2.904 0.336 -5.791 1.00 0.00 O ATOM 164 CB TYR A 662 -2.160 -0.943 -3.003 1.00 0.00 C ATOM 165 CG TYR A 662 -1.462 -1.931 -2.116 1.00 0.00 C ATOM 166 CD1 TYR A 662 -1.259 -3.240 -2.526 1.00 0.00 C ATOM 167 CD2 TYR A 662 -0.968 -1.540 -0.889 1.00 0.00 C ATOM 168 CE1 TYR A 662 -0.582 -4.136 -1.727 1.00 0.00 C ATOM 169 CE2 TYR A 662 -0.295 -2.423 -0.079 1.00 0.00 C ATOM 170 CZ TYR A 662 -0.100 -3.725 -0.499 1.00 0.00 C ATOM 171 OH TYR A 662 0.577 -4.612 0.305 1.00 0.00 O ATOM 0 H TYR A 662 0.218 -0.447 -2.924 1.00 0.00 H new ATOM 0 HA TYR A 662 -1.421 -1.557 -4.913 1.00 0.00 H new ATOM 0 HB2 TYR A 662 -2.309 -0.008 -2.462 1.00 0.00 H new ATOM 0 HB3 TYR A 662 -3.148 -1.321 -3.265 1.00 0.00 H new ATOM 0 HD1 TYR A 662 -1.637 -3.562 -3.485 1.00 0.00 H new ATOM 0 HD2 TYR A 662 -1.113 -0.522 -0.559 1.00 0.00 H new ATOM 0 HE1 TYR A 662 -0.429 -5.152 -2.058 1.00 0.00 H new ATOM 0 HE2 TYR A 662 0.080 -2.101 0.881 1.00 0.00 H new ATOM 0 HH TYR A 662 0.849 -4.162 1.132 1.00 0.00 H new ATOM 181 N ARG A 663 -1.335 1.667 -4.895 1.00 0.00 N ATOM 182 CA ARG A 663 -1.799 2.847 -5.604 1.00 0.00 C ATOM 183 C ARG A 663 -1.372 2.818 -7.067 1.00 0.00 C ATOM 184 O ARG A 663 -1.762 3.687 -7.847 1.00 0.00 O ATOM 185 CB ARG A 663 -1.280 4.123 -4.935 1.00 0.00 C ATOM 186 CG ARG A 663 -2.369 4.945 -4.263 1.00 0.00 C ATOM 187 CD ARG A 663 -2.197 4.970 -2.753 1.00 0.00 C ATOM 188 NE ARG A 663 -1.159 5.909 -2.334 1.00 0.00 N ATOM 189 CZ ARG A 663 -1.329 7.228 -2.285 1.00 0.00 C ATOM 190 NH1 ARG A 663 -2.493 7.768 -2.626 1.00 0.00 N ATOM 191 NH2 ARG A 663 -0.333 8.010 -1.893 1.00 0.00 N ATOM 0 H ARG A 663 -0.529 1.822 -4.290 1.00 0.00 H new ATOM 0 HA ARG A 663 -2.888 2.845 -5.564 1.00 0.00 H new ATOM 0 HB2 ARG A 663 -0.529 3.854 -4.192 1.00 0.00 H new ATOM 0 HB3 ARG A 663 -0.782 4.739 -5.684 1.00 0.00 H new ATOM 0 HG2 ARG A 663 -2.348 5.964 -4.649 1.00 0.00 H new ATOM 0 HG3 ARG A 663 -3.346 4.530 -4.512 1.00 0.00 H new ATOM 0 HD2 ARG A 663 -3.143 5.243 -2.285 1.00 0.00 H new ATOM 0 HD3 ARG A 663 -1.944 3.970 -2.401 1.00 0.00 H new ATOM 0 HE ARG A 663 -0.251 5.532 -2.063 1.00 0.00 H new ATOM 0 HH11 ARG A 663 -3.263 7.171 -2.928 1.00 0.00 H new ATOM 0 HH12 ARG A 663 -2.617 8.780 -2.586 1.00 0.00 H new ATOM 0 HH21 ARG A 663 0.563 7.601 -1.629 1.00 0.00 H new ATOM 0 HH22 ARG A 663 -0.463 9.021 -1.855 1.00 0.00 H new ATOM 205 N SER A 664 -0.568 1.827 -7.443 1.00 0.00 N ATOM 206 CA SER A 664 -0.109 1.725 -8.820 1.00 0.00 C ATOM 207 C SER A 664 0.352 0.313 -9.181 1.00 0.00 C ATOM 208 O SER A 664 0.992 0.107 -10.213 1.00 0.00 O ATOM 209 CB SER A 664 0.996 2.742 -9.069 1.00 0.00 C ATOM 210 OG SER A 664 1.755 2.414 -10.221 1.00 0.00 O ATOM 0 H SER A 664 -0.226 1.094 -6.821 1.00 0.00 H new ATOM 0 HA SER A 664 -0.956 1.946 -9.470 1.00 0.00 H new ATOM 0 HB2 SER A 664 0.559 3.733 -9.190 1.00 0.00 H new ATOM 0 HB3 SER A 664 1.653 2.787 -8.200 1.00 0.00 H new ATOM 0 HG SER A 664 1.309 1.692 -10.712 1.00 0.00 H new ATOM 216 N VAL A 665 -0.005 -0.664 -8.353 1.00 0.00 N ATOM 217 CA VAL A 665 0.346 -2.052 -8.621 1.00 0.00 C ATOM 218 C VAL A 665 -0.917 -2.869 -8.889 1.00 0.00 C ATOM 219 O VAL A 665 -0.843 -4.031 -9.288 1.00 0.00 O ATOM 220 CB VAL A 665 1.157 -2.697 -7.469 1.00 0.00 C ATOM 221 CG1 VAL A 665 2.341 -1.825 -7.090 1.00 0.00 C ATOM 222 CG2 VAL A 665 0.272 -2.979 -6.256 1.00 0.00 C ATOM 0 H VAL A 665 -0.535 -0.520 -7.494 1.00 0.00 H new ATOM 0 HA VAL A 665 0.985 -2.054 -9.504 1.00 0.00 H new ATOM 0 HB VAL A 665 1.540 -3.653 -7.825 1.00 0.00 H new ATOM 0 HG11 VAL A 665 2.896 -2.297 -6.279 1.00 0.00 H new ATOM 0 HG12 VAL A 665 2.994 -1.703 -7.954 1.00 0.00 H new ATOM 0 HG13 VAL A 665 1.984 -0.848 -6.764 1.00 0.00 H new ATOM 0 HG21 VAL A 665 0.871 -3.431 -5.466 1.00 0.00 H new ATOM 0 HG22 VAL A 665 -0.159 -2.045 -5.895 1.00 0.00 H new ATOM 0 HG23 VAL A 665 -0.528 -3.662 -6.540 1.00 0.00 H new ATOM 232 N GLY A 666 -2.081 -2.244 -8.676 1.00 0.00 N ATOM 233 CA GLY A 666 -3.341 -2.925 -8.911 1.00 0.00 C ATOM 234 C GLY A 666 -4.183 -3.053 -7.658 1.00 0.00 C ATOM 235 O GLY A 666 -4.637 -4.145 -7.321 1.00 0.00 O ATOM 0 H GLY A 666 -2.168 -1.283 -8.346 1.00 0.00 H new ATOM 0 HA2 GLY A 666 -3.906 -2.382 -9.669 1.00 0.00 H new ATOM 0 HA3 GLY A 666 -3.142 -3.919 -9.312 1.00 0.00 H new ATOM 239 N LYS A 667 -4.395 -1.935 -6.964 1.00 0.00 N ATOM 240 CA LYS A 667 -5.192 -1.941 -5.739 1.00 0.00 C ATOM 241 C LYS A 667 -5.286 -0.543 -5.126 1.00 0.00 C ATOM 242 O LYS A 667 -5.247 -0.396 -3.908 1.00 0.00 O ATOM 243 CB LYS A 667 -4.585 -2.913 -4.719 1.00 0.00 C ATOM 244 CG LYS A 667 -5.249 -4.281 -4.706 1.00 0.00 C ATOM 245 CD LYS A 667 -5.682 -4.679 -3.305 1.00 0.00 C ATOM 246 CE LYS A 667 -5.493 -6.169 -3.066 1.00 0.00 C ATOM 247 NZ LYS A 667 -6.601 -6.971 -3.657 1.00 0.00 N ATOM 0 H LYS A 667 -4.029 -1.020 -7.227 1.00 0.00 H new ATOM 0 HA LYS A 667 -6.199 -2.267 -5.999 1.00 0.00 H new ATOM 0 HB2 LYS A 667 -3.524 -3.036 -4.935 1.00 0.00 H new ATOM 0 HB3 LYS A 667 -4.659 -2.474 -3.724 1.00 0.00 H new ATOM 0 HG2 LYS A 667 -6.116 -4.272 -5.367 1.00 0.00 H new ATOM 0 HG3 LYS A 667 -4.557 -5.026 -5.099 1.00 0.00 H new ATOM 0 HD2 LYS A 667 -5.106 -4.116 -2.571 1.00 0.00 H new ATOM 0 HD3 LYS A 667 -6.729 -4.416 -3.158 1.00 0.00 H new ATOM 0 HE2 LYS A 667 -4.544 -6.488 -3.497 1.00 0.00 H new ATOM 0 HE3 LYS A 667 -5.437 -6.361 -1.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 667 -6.435 -7.981 -3.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 667 -7.504 -6.684 -3.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 667 -6.638 -6.808 -4.683 1.00 0.00 H new ATOM 261 N ILE A 668 -5.416 0.485 -5.966 1.00 0.00 N ATOM 262 CA ILE A 668 -5.518 1.862 -5.474 1.00 0.00 C ATOM 263 C ILE A 668 -6.576 1.955 -4.392 1.00 0.00 C ATOM 264 O ILE A 668 -6.314 2.398 -3.275 1.00 0.00 O ATOM 265 CB ILE A 668 -5.874 2.852 -6.606 1.00 0.00 C ATOM 266 CG1 ILE A 668 -4.632 3.175 -7.424 1.00 0.00 C ATOM 267 CG2 ILE A 668 -6.484 4.134 -6.047 1.00 0.00 C ATOM 268 CD1 ILE A 668 -4.083 1.984 -8.171 1.00 0.00 C ATOM 0 H ILE A 668 -5.453 0.393 -6.981 1.00 0.00 H new ATOM 0 HA ILE A 668 -4.542 2.132 -5.071 1.00 0.00 H new ATOM 0 HB ILE A 668 -6.616 2.380 -7.250 1.00 0.00 H new ATOM 0 HG12 ILE A 668 -4.870 3.964 -8.137 1.00 0.00 H new ATOM 0 HG13 ILE A 668 -3.860 3.567 -6.761 1.00 0.00 H new ATOM 0 HG21 ILE A 668 -6.724 4.811 -6.867 1.00 0.00 H new ATOM 0 HG22 ILE A 668 -7.394 3.894 -5.497 1.00 0.00 H new ATOM 0 HG23 ILE A 668 -5.771 4.614 -5.377 1.00 0.00 H new ATOM 0 HD11 ILE A 668 -3.199 2.283 -8.733 1.00 0.00 H new ATOM 0 HD12 ILE A 668 -3.814 1.202 -7.461 1.00 0.00 H new ATOM 0 HD13 ILE A 668 -4.839 1.606 -8.859 1.00 0.00 H new ATOM 280 N GLU A 669 -7.771 1.521 -4.743 1.00 0.00 N ATOM 281 CA GLU A 669 -8.892 1.530 -3.827 1.00 0.00 C ATOM 282 C GLU A 669 -8.507 0.868 -2.512 1.00 0.00 C ATOM 283 O GLU A 669 -8.875 1.337 -1.435 1.00 0.00 O ATOM 284 CB GLU A 669 -10.061 0.810 -4.484 1.00 0.00 C ATOM 285 CG GLU A 669 -11.407 1.475 -4.242 1.00 0.00 C ATOM 286 CD GLU A 669 -12.508 0.475 -3.950 1.00 0.00 C ATOM 287 OE1 GLU A 669 -12.918 -0.246 -4.883 1.00 0.00 O ATOM 288 OE2 GLU A 669 -12.960 0.412 -2.788 1.00 0.00 O ATOM 0 H GLU A 669 -7.991 1.153 -5.669 1.00 0.00 H new ATOM 0 HA GLU A 669 -9.183 2.556 -3.602 1.00 0.00 H new ATOM 0 HB2 GLU A 669 -9.883 0.752 -5.558 1.00 0.00 H new ATOM 0 HB3 GLU A 669 -10.100 -0.214 -4.112 1.00 0.00 H new ATOM 0 HG2 GLU A 669 -11.320 2.168 -3.406 1.00 0.00 H new ATOM 0 HG3 GLU A 669 -11.679 2.064 -5.118 1.00 0.00 H new ATOM 295 N GLU A 670 -7.730 -0.202 -2.609 1.00 0.00 N ATOM 296 CA GLU A 670 -7.257 -0.900 -1.426 1.00 0.00 C ATOM 297 C GLU A 670 -6.081 -0.143 -0.833 1.00 0.00 C ATOM 298 O GLU A 670 -5.829 -0.215 0.371 1.00 0.00 O ATOM 299 CB GLU A 670 -6.849 -2.335 -1.770 1.00 0.00 C ATOM 300 CG GLU A 670 -6.967 -3.297 -0.599 1.00 0.00 C ATOM 301 CD GLU A 670 -5.680 -3.412 0.193 1.00 0.00 C ATOM 302 OE1 GLU A 670 -4.733 -4.059 -0.302 1.00 0.00 O ATOM 303 OE2 GLU A 670 -5.619 -2.855 1.310 1.00 0.00 O ATOM 0 H GLU A 670 -7.416 -0.603 -3.493 1.00 0.00 H new ATOM 0 HA GLU A 670 -8.064 -0.947 -0.694 1.00 0.00 H new ATOM 0 HB2 GLU A 670 -7.471 -2.695 -2.589 1.00 0.00 H new ATOM 0 HB3 GLU A 670 -5.819 -2.336 -2.128 1.00 0.00 H new ATOM 0 HG2 GLU A 670 -7.767 -2.963 0.062 1.00 0.00 H new ATOM 0 HG3 GLU A 670 -7.250 -4.282 -0.970 1.00 0.00 H new ATOM 310 N ALA A 671 -5.375 0.613 -1.677 1.00 0.00 N ATOM 311 CA ALA A 671 -4.255 1.401 -1.206 1.00 0.00 C ATOM 312 C ALA A 671 -4.751 2.427 -0.208 1.00 0.00 C ATOM 313 O ALA A 671 -4.075 2.729 0.776 1.00 0.00 O ATOM 314 CB ALA A 671 -3.529 2.061 -2.358 1.00 0.00 C ATOM 0 H ALA A 671 -5.563 0.690 -2.677 1.00 0.00 H new ATOM 0 HA ALA A 671 -3.539 0.744 -0.713 1.00 0.00 H new ATOM 0 HB1 ALA A 671 -2.693 2.646 -1.974 1.00 0.00 H new ATOM 0 HB2 ALA A 671 -3.155 1.296 -3.038 1.00 0.00 H new ATOM 0 HB3 ALA A 671 -4.216 2.717 -2.893 1.00 0.00 H new ATOM 320 N GLU A 672 -5.964 2.930 -0.439 1.00 0.00 N ATOM 321 CA GLU A 672 -6.561 3.881 0.481 1.00 0.00 C ATOM 322 C GLU A 672 -6.683 3.225 1.854 1.00 0.00 C ATOM 323 O GLU A 672 -6.747 3.902 2.881 1.00 0.00 O ATOM 324 CB GLU A 672 -7.935 4.329 -0.022 1.00 0.00 C ATOM 325 CG GLU A 672 -7.938 4.753 -1.484 1.00 0.00 C ATOM 326 CD GLU A 672 -8.015 6.258 -1.654 1.00 0.00 C ATOM 327 OE1 GLU A 672 -6.983 6.932 -1.451 1.00 0.00 O ATOM 328 OE2 GLU A 672 -9.106 6.763 -1.990 1.00 0.00 O ATOM 0 H GLU A 672 -6.541 2.695 -1.246 1.00 0.00 H new ATOM 0 HA GLU A 672 -5.928 4.766 0.551 1.00 0.00 H new ATOM 0 HB2 GLU A 672 -8.646 3.514 0.113 1.00 0.00 H new ATOM 0 HB3 GLU A 672 -8.284 5.161 0.590 1.00 0.00 H new ATOM 0 HG2 GLU A 672 -7.035 4.382 -1.968 1.00 0.00 H new ATOM 0 HG3 GLU A 672 -8.784 4.290 -1.991 1.00 0.00 H new ATOM 335 N ALA A 673 -6.688 1.890 1.852 1.00 0.00 N ATOM 336 CA ALA A 673 -6.770 1.118 3.078 1.00 0.00 C ATOM 337 C ALA A 673 -5.424 1.116 3.789 1.00 0.00 C ATOM 338 O ALA A 673 -5.359 1.143 5.018 1.00 0.00 O ATOM 339 CB ALA A 673 -7.218 -0.305 2.780 1.00 0.00 C ATOM 0 H ALA A 673 -6.636 1.325 1.005 1.00 0.00 H new ATOM 0 HA ALA A 673 -7.508 1.580 3.733 1.00 0.00 H new ATOM 0 HB1 ALA A 673 -7.274 -0.871 3.710 1.00 0.00 H new ATOM 0 HB2 ALA A 673 -8.200 -0.286 2.307 1.00 0.00 H new ATOM 0 HB3 ALA A 673 -6.501 -0.779 2.110 1.00 0.00 H new ATOM 345 N ILE A 674 -4.345 1.107 3.004 1.00 0.00 N ATOM 346 CA ILE A 674 -3.002 1.126 3.567 1.00 0.00 C ATOM 347 C ILE A 674 -2.790 2.429 4.321 1.00 0.00 C ATOM 348 O ILE A 674 -2.291 2.439 5.443 1.00 0.00 O ATOM 349 CB ILE A 674 -1.903 0.994 2.483 1.00 0.00 C ATOM 350 CG1 ILE A 674 -1.798 -0.428 1.956 1.00 0.00 C ATOM 351 CG2 ILE A 674 -0.556 1.399 3.039 1.00 0.00 C ATOM 352 CD1 ILE A 674 -2.962 -0.843 1.108 1.00 0.00 C ATOM 0 H ILE A 674 -4.378 1.087 1.985 1.00 0.00 H new ATOM 0 HA ILE A 674 -2.919 0.268 4.234 1.00 0.00 H new ATOM 0 HB ILE A 674 -2.187 1.655 1.665 1.00 0.00 H new ATOM 0 HG12 ILE A 674 -0.882 -0.523 1.372 1.00 0.00 H new ATOM 0 HG13 ILE A 674 -1.711 -1.113 2.799 1.00 0.00 H new ATOM 0 HG21 ILE A 674 0.203 1.300 2.263 1.00 0.00 H new ATOM 0 HG22 ILE A 674 -0.598 2.435 3.375 1.00 0.00 H new ATOM 0 HG23 ILE A 674 -0.301 0.755 3.880 1.00 0.00 H new ATOM 0 HD11 ILE A 674 -2.817 -1.868 0.768 1.00 0.00 H new ATOM 0 HD12 ILE A 674 -3.879 -0.781 1.694 1.00 0.00 H new ATOM 0 HD13 ILE A 674 -3.037 -0.182 0.245 1.00 0.00 H new ATOM 364 N GLU A 675 -3.177 3.530 3.692 1.00 0.00 N ATOM 365 CA GLU A 675 -3.033 4.841 4.300 1.00 0.00 C ATOM 366 C GLU A 675 -3.573 4.831 5.727 1.00 0.00 C ATOM 367 O GLU A 675 -3.119 5.597 6.578 1.00 0.00 O ATOM 368 CB GLU A 675 -3.745 5.897 3.453 1.00 0.00 C ATOM 369 CG GLU A 675 -2.799 6.911 2.830 1.00 0.00 C ATOM 370 CD GLU A 675 -3.533 8.022 2.104 1.00 0.00 C ATOM 371 OE1 GLU A 675 -4.205 8.829 2.778 1.00 0.00 O ATOM 372 OE2 GLU A 675 -3.433 8.083 0.860 1.00 0.00 O ATOM 0 H GLU A 675 -3.593 3.539 2.761 1.00 0.00 H new ATOM 0 HA GLU A 675 -1.974 5.093 4.343 1.00 0.00 H new ATOM 0 HB2 GLU A 675 -4.305 5.400 2.661 1.00 0.00 H new ATOM 0 HB3 GLU A 675 -4.470 6.422 4.075 1.00 0.00 H new ATOM 0 HG2 GLU A 675 -2.171 7.344 3.609 1.00 0.00 H new ATOM 0 HG3 GLU A 675 -2.135 6.402 2.131 1.00 0.00 H new ATOM 379 N LYS A 676 -4.530 3.945 5.991 1.00 0.00 N ATOM 380 CA LYS A 676 -5.100 3.829 7.326 1.00 0.00 C ATOM 381 C LYS A 676 -4.033 3.379 8.315 1.00 0.00 C ATOM 382 O LYS A 676 -3.986 3.856 9.449 1.00 0.00 O ATOM 383 CB LYS A 676 -6.278 2.852 7.326 1.00 0.00 C ATOM 384 CG LYS A 676 -7.478 3.347 8.117 1.00 0.00 C ATOM 385 CD LYS A 676 -7.479 2.795 9.534 1.00 0.00 C ATOM 386 CE LYS A 676 -6.912 3.800 10.522 1.00 0.00 C ATOM 387 NZ LYS A 676 -7.598 3.730 11.842 1.00 0.00 N ATOM 0 H LYS A 676 -4.923 3.303 5.303 1.00 0.00 H new ATOM 0 HA LYS A 676 -5.469 4.808 7.632 1.00 0.00 H new ATOM 0 HB2 LYS A 676 -6.584 2.664 6.297 1.00 0.00 H new ATOM 0 HB3 LYS A 676 -5.949 1.899 7.739 1.00 0.00 H new ATOM 0 HG2 LYS A 676 -7.469 4.436 8.150 1.00 0.00 H new ATOM 0 HG3 LYS A 676 -8.396 3.051 7.610 1.00 0.00 H new ATOM 0 HD2 LYS A 676 -8.497 2.533 9.823 1.00 0.00 H new ATOM 0 HD3 LYS A 676 -6.892 1.877 9.569 1.00 0.00 H new ATOM 0 HE2 LYS A 676 -5.846 3.615 10.657 1.00 0.00 H new ATOM 0 HE3 LYS A 676 -7.012 4.806 10.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 676 -7.585 4.668 12.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 676 -8.583 3.425 11.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 676 -7.106 3.048 12.453 1.00 0.00 H new ATOM 401 N THR A 677 -3.159 2.480 7.872 1.00 0.00 N ATOM 402 CA THR A 677 -2.076 2.003 8.725 1.00 0.00 C ATOM 403 C THR A 677 -1.070 3.126 8.945 1.00 0.00 C ATOM 404 O THR A 677 -0.325 3.123 9.924 1.00 0.00 O ATOM 405 CB THR A 677 -1.384 0.773 8.122 1.00 0.00 C ATOM 406 OG1 THR A 677 -1.758 0.588 6.769 1.00 0.00 O ATOM 407 CG2 THR A 677 -1.700 -0.507 8.862 1.00 0.00 C ATOM 0 H THR A 677 -3.178 2.071 6.938 1.00 0.00 H new ATOM 0 HA THR A 677 -2.500 1.701 9.683 1.00 0.00 H new ATOM 0 HB THR A 677 -0.316 0.976 8.207 1.00 0.00 H new ATOM 0 HG1 THR A 677 -1.472 1.363 6.242 1.00 0.00 H new ATOM 0 HG21 THR A 677 -1.181 -1.340 8.387 1.00 0.00 H new ATOM 0 HG22 THR A 677 -1.372 -0.419 9.898 1.00 0.00 H new ATOM 0 HG23 THR A 677 -2.775 -0.687 8.835 1.00 0.00 H new ATOM 415 N LEU A 678 -1.073 4.102 8.035 1.00 0.00 N ATOM 416 CA LEU A 678 -0.179 5.244 8.141 1.00 0.00 C ATOM 417 C LEU A 678 -0.440 5.971 9.452 1.00 0.00 C ATOM 418 O LEU A 678 0.475 6.527 10.060 1.00 0.00 O ATOM 419 CB LEU A 678 -0.374 6.193 6.954 1.00 0.00 C ATOM 420 CG LEU A 678 0.920 6.671 6.288 1.00 0.00 C ATOM 421 CD1 LEU A 678 0.843 6.496 4.778 1.00 0.00 C ATOM 422 CD2 LEU A 678 1.201 8.122 6.644 1.00 0.00 C ATOM 0 H LEU A 678 -1.686 4.120 7.220 1.00 0.00 H new ATOM 0 HA LEU A 678 0.852 4.892 8.125 1.00 0.00 H new ATOM 0 HB2 LEU A 678 -0.987 5.692 6.205 1.00 0.00 H new ATOM 0 HB3 LEU A 678 -0.934 7.065 7.293 1.00 0.00 H new ATOM 0 HG LEU A 678 1.742 6.061 6.662 1.00 0.00 H new ATOM 0 HD11 LEU A 678 1.772 6.841 4.324 1.00 0.00 H new ATOM 0 HD12 LEU A 678 0.693 5.443 4.541 1.00 0.00 H new ATOM 0 HD13 LEU A 678 0.009 7.078 4.386 1.00 0.00 H new ATOM 0 HD21 LEU A 678 2.124 8.443 6.161 1.00 0.00 H new ATOM 0 HD22 LEU A 678 0.376 8.747 6.301 1.00 0.00 H new ATOM 0 HD23 LEU A 678 1.304 8.218 7.725 1.00 0.00 H new ATOM 434 N LYS A 679 -1.696 5.938 9.895 1.00 0.00 N ATOM 435 CA LYS A 679 -2.075 6.574 11.151 1.00 0.00 C ATOM 436 C LYS A 679 -1.195 6.062 12.291 1.00 0.00 C ATOM 437 O LYS A 679 -1.011 6.741 13.301 1.00 0.00 O ATOM 438 CB LYS A 679 -3.547 6.293 11.462 1.00 0.00 C ATOM 439 CG LYS A 679 -4.047 6.988 12.718 1.00 0.00 C ATOM 440 CD LYS A 679 -5.073 6.139 13.451 1.00 0.00 C ATOM 441 CE LYS A 679 -4.421 5.274 14.518 1.00 0.00 C ATOM 442 NZ LYS A 679 -4.119 3.906 14.016 1.00 0.00 N ATOM 0 H LYS A 679 -2.463 5.479 9.404 1.00 0.00 H new ATOM 0 HA LYS A 679 -1.933 7.650 11.052 1.00 0.00 H new ATOM 0 HB2 LYS A 679 -4.156 6.610 10.615 1.00 0.00 H new ATOM 0 HB3 LYS A 679 -3.688 5.218 11.571 1.00 0.00 H new ATOM 0 HG2 LYS A 679 -3.206 7.197 13.379 1.00 0.00 H new ATOM 0 HG3 LYS A 679 -4.490 7.948 12.453 1.00 0.00 H new ATOM 0 HD2 LYS A 679 -5.820 6.786 13.912 1.00 0.00 H new ATOM 0 HD3 LYS A 679 -5.598 5.504 12.737 1.00 0.00 H new ATOM 0 HE2 LYS A 679 -3.500 5.748 14.856 1.00 0.00 H new ATOM 0 HE3 LYS A 679 -5.081 5.206 15.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 679 -3.786 3.313 14.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 679 -4.979 3.488 13.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 679 -3.380 3.959 13.286 1.00 0.00 H new ATOM 456 N ASN A 680 -0.651 4.857 12.113 1.00 0.00 N ATOM 457 CA ASN A 680 0.216 4.244 13.115 1.00 0.00 C ATOM 458 C ASN A 680 1.314 5.208 13.557 1.00 0.00 C ATOM 459 O ASN A 680 2.103 5.682 12.739 1.00 0.00 O ATOM 460 CB ASN A 680 0.842 2.962 12.556 1.00 0.00 C ATOM 461 CG ASN A 680 1.687 2.235 13.584 1.00 0.00 C ATOM 462 OD1 ASN A 680 2.730 2.731 14.010 1.00 0.00 O ATOM 463 ND2 ASN A 680 1.239 1.051 13.987 1.00 0.00 N ATOM 0 H ASN A 680 -0.798 4.286 11.280 1.00 0.00 H new ATOM 0 HA ASN A 680 -0.394 3.999 13.985 1.00 0.00 H new ATOM 0 HB2 ASN A 680 0.052 2.299 12.204 1.00 0.00 H new ATOM 0 HB3 ASN A 680 1.459 3.209 11.692 1.00 0.00 H new ATOM 0 HD21 ASN A 680 1.765 0.514 14.677 1.00 0.00 H new ATOM 0 HD22 ASN A 680 0.369 0.679 13.607 1.00 0.00 H new ATOM 470 N LYS A 681 1.358 5.492 14.855 1.00 0.00 N ATOM 471 CA LYS A 681 2.360 6.399 15.404 1.00 0.00 C ATOM 472 C LYS A 681 2.578 6.132 16.890 1.00 0.00 C ATOM 473 O LYS A 681 2.876 7.046 17.658 1.00 0.00 O ATOM 474 CB LYS A 681 1.932 7.852 15.193 1.00 0.00 C ATOM 475 CG LYS A 681 3.085 8.841 15.256 1.00 0.00 C ATOM 476 CD LYS A 681 2.875 10.003 14.300 1.00 0.00 C ATOM 477 CE LYS A 681 4.181 10.439 13.655 1.00 0.00 C ATOM 478 NZ LYS A 681 5.281 10.555 14.652 1.00 0.00 N ATOM 0 H LYS A 681 0.713 5.108 15.545 1.00 0.00 H new ATOM 0 HA LYS A 681 3.299 6.224 14.880 1.00 0.00 H new ATOM 0 HB2 LYS A 681 1.441 7.940 14.224 1.00 0.00 H new ATOM 0 HB3 LYS A 681 1.194 8.118 15.950 1.00 0.00 H new ATOM 0 HG2 LYS A 681 3.186 9.219 16.273 1.00 0.00 H new ATOM 0 HG3 LYS A 681 4.017 8.331 15.011 1.00 0.00 H new ATOM 0 HD2 LYS A 681 2.165 9.714 13.526 1.00 0.00 H new ATOM 0 HD3 LYS A 681 2.436 10.843 14.838 1.00 0.00 H new ATOM 0 HE2 LYS A 681 4.463 9.721 12.885 1.00 0.00 H new ATOM 0 HE3 LYS A 681 4.038 11.399 13.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 681 5.987 11.238 14.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 681 4.893 10.881 15.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 681 5.732 9.627 14.781 1.00 0.00 H new ATOM 492 N GLN A 682 2.429 4.872 17.287 1.00 0.00 N ATOM 493 CA GLN A 682 2.610 4.484 18.681 1.00 0.00 C ATOM 494 C GLN A 682 1.629 5.224 19.584 1.00 0.00 C ATOM 495 O GLN A 682 1.950 5.555 20.726 1.00 0.00 O ATOM 496 CB GLN A 682 4.046 4.767 19.128 1.00 0.00 C ATOM 497 CG GLN A 682 5.008 3.626 18.841 1.00 0.00 C ATOM 498 CD GLN A 682 6.218 3.639 19.756 1.00 0.00 C ATOM 499 OE1 GLN A 682 7.352 3.791 19.302 1.00 0.00 O ATOM 500 NE2 GLN A 682 5.981 3.481 21.053 1.00 0.00 N ATOM 0 H GLN A 682 2.184 4.103 16.663 1.00 0.00 H new ATOM 0 HA GLN A 682 2.415 3.415 18.763 1.00 0.00 H new ATOM 0 HB2 GLN A 682 4.403 5.667 18.627 1.00 0.00 H new ATOM 0 HB3 GLN A 682 4.050 4.975 20.198 1.00 0.00 H new ATOM 0 HG2 GLN A 682 4.484 2.677 18.952 1.00 0.00 H new ATOM 0 HG3 GLN A 682 5.340 3.688 17.805 1.00 0.00 H new ATOM 0 HE21 GLN A 682 5.025 3.358 21.385 1.00 0.00 H new ATOM 0 HE22 GLN A 682 6.755 3.483 21.717 1.00 0.00 H new ATOM 509 N ASN A 683 0.433 5.481 19.065 1.00 0.00 N ATOM 510 CA ASN A 683 -0.595 6.181 19.825 1.00 0.00 C ATOM 511 C ASN A 683 -0.124 7.577 20.221 1.00 0.00 C ATOM 512 O ASN A 683 0.979 7.973 19.788 1.00 0.00 O ATOM 513 CB ASN A 683 -0.969 5.383 21.075 1.00 0.00 C ATOM 514 CG ASN A 683 -1.484 3.996 20.743 1.00 0.00 C ATOM 515 OD1 ASN A 683 -1.404 3.550 19.598 1.00 0.00 O ATOM 516 ND2 ASN A 683 -2.018 3.307 21.744 1.00 0.00 N ATOM 517 OXT ASN A 683 -0.860 8.262 20.961 1.00 0.00 O ATOM 0 H ASN A 683 0.152 5.215 18.121 1.00 0.00 H new ATOM 0 HA ASN A 683 -1.475 6.280 19.190 1.00 0.00 H new ATOM 0 HB2 ASN A 683 -0.097 5.298 21.723 1.00 0.00 H new ATOM 0 HB3 ASN A 683 -1.730 5.926 21.635 1.00 0.00 H new ATOM 0 HD21 ASN A 683 -2.383 2.369 21.580 1.00 0.00 H new ATOM 0 HD22 ASN A 683 -2.064 3.716 22.677 1.00 0.00 H new TER 524 ASN A 683 ATOM 525 N ARG B 405 7.478 -4.614 17.789 1.00 0.00 N ATOM 526 CA ARG B 405 6.392 -5.624 17.688 1.00 0.00 C ATOM 527 C ARG B 405 5.571 -5.425 16.417 1.00 0.00 C ATOM 528 O ARG B 405 5.441 -4.307 15.920 1.00 0.00 O ATOM 529 CB ARG B 405 5.496 -5.501 18.921 1.00 0.00 C ATOM 530 CG ARG B 405 6.206 -5.827 20.225 1.00 0.00 C ATOM 531 CD ARG B 405 6.908 -4.606 20.797 1.00 0.00 C ATOM 532 NE ARG B 405 8.182 -4.949 21.426 1.00 0.00 N ATOM 533 CZ ARG B 405 8.288 -5.489 22.637 1.00 0.00 C ATOM 534 NH1 ARG B 405 7.201 -5.748 23.354 1.00 0.00 N ATOM 535 NH2 ARG B 405 9.484 -5.772 23.134 1.00 0.00 N ATOM 0 HA ARG B 405 6.832 -6.620 17.642 1.00 0.00 H new ATOM 0 HB2 ARG B 405 5.104 -4.485 18.975 1.00 0.00 H new ATOM 0 HB3 ARG B 405 4.641 -6.167 18.806 1.00 0.00 H new ATOM 0 HG2 ARG B 405 5.484 -6.205 20.949 1.00 0.00 H new ATOM 0 HG3 ARG B 405 6.934 -6.621 20.056 1.00 0.00 H new ATOM 0 HD2 ARG B 405 7.081 -3.881 20.001 1.00 0.00 H new ATOM 0 HD3 ARG B 405 6.260 -4.126 21.530 1.00 0.00 H new ATOM 0 HE ARG B 405 9.040 -4.763 20.906 1.00 0.00 H new ATOM 0 HH11 ARG B 405 6.278 -5.533 22.977 1.00 0.00 H new ATOM 0 HH12 ARG B 405 7.289 -6.162 24.282 1.00 0.00 H new ATOM 0 HH21 ARG B 405 10.323 -5.576 22.588 1.00 0.00 H new ATOM 0 HH22 ARG B 405 9.565 -6.186 24.063 1.00 0.00 H new ATOM 550 N PRO B 406 5.000 -6.514 15.873 1.00 0.00 N ATOM 551 CA PRO B 406 4.188 -6.454 14.655 1.00 0.00 C ATOM 552 C PRO B 406 2.851 -5.753 14.883 1.00 0.00 C ATOM 553 O PRO B 406 2.340 -5.722 16.002 1.00 0.00 O ATOM 554 CB PRO B 406 3.963 -7.927 14.302 1.00 0.00 C ATOM 555 CG PRO B 406 4.086 -8.649 15.599 1.00 0.00 C ATOM 556 CD PRO B 406 5.104 -7.888 16.402 1.00 0.00 C ATOM 0 HA PRO B 406 4.680 -5.883 13.867 1.00 0.00 H new ATOM 0 HB2 PRO B 406 2.981 -8.082 13.854 1.00 0.00 H new ATOM 0 HB3 PRO B 406 4.701 -8.279 13.581 1.00 0.00 H new ATOM 0 HG2 PRO B 406 3.128 -8.685 16.118 1.00 0.00 H new ATOM 0 HG3 PRO B 406 4.403 -9.680 15.443 1.00 0.00 H new ATOM 0 HD2 PRO B 406 4.884 -7.925 17.469 1.00 0.00 H new ATOM 0 HD3 PRO B 406 6.106 -8.295 16.269 1.00 0.00 H new ATOM 564 N PRO B 407 2.266 -5.176 13.819 1.00 0.00 N ATOM 565 CA PRO B 407 0.982 -4.472 13.910 1.00 0.00 C ATOM 566 C PRO B 407 -0.185 -5.425 14.157 1.00 0.00 C ATOM 567 O PRO B 407 -0.047 -6.640 14.013 1.00 0.00 O ATOM 568 CB PRO B 407 0.845 -3.804 12.540 1.00 0.00 C ATOM 569 CG PRO B 407 1.660 -4.648 11.624 1.00 0.00 C ATOM 570 CD PRO B 407 2.807 -5.166 12.447 1.00 0.00 C ATOM 0 HA PRO B 407 0.960 -3.771 14.745 1.00 0.00 H new ATOM 0 HB2 PRO B 407 -0.197 -3.765 12.221 1.00 0.00 H new ATOM 0 HB3 PRO B 407 1.210 -2.777 12.562 1.00 0.00 H new ATOM 0 HG2 PRO B 407 1.068 -5.469 11.220 1.00 0.00 H new ATOM 0 HG3 PRO B 407 2.020 -4.067 10.775 1.00 0.00 H new ATOM 0 HD2 PRO B 407 3.112 -6.163 12.128 1.00 0.00 H new ATOM 0 HD3 PRO B 407 3.683 -4.523 12.365 1.00 0.00 H new ATOM 578 N PRO B 408 -1.356 -4.883 14.533 1.00 0.00 N ATOM 579 CA PRO B 408 -2.550 -5.691 14.801 1.00 0.00 C ATOM 580 C PRO B 408 -3.132 -6.302 13.531 1.00 0.00 C ATOM 581 O PRO B 408 -2.785 -5.898 12.420 1.00 0.00 O ATOM 582 CB PRO B 408 -3.532 -4.686 15.409 1.00 0.00 C ATOM 583 CG PRO B 408 -3.103 -3.366 14.871 1.00 0.00 C ATOM 584 CD PRO B 408 -1.608 -3.442 14.727 1.00 0.00 C ATOM 0 HA PRO B 408 -2.331 -6.538 15.451 1.00 0.00 H new ATOM 0 HB2 PRO B 408 -4.559 -4.915 15.125 1.00 0.00 H new ATOM 0 HB3 PRO B 408 -3.491 -4.702 16.498 1.00 0.00 H new ATOM 0 HG2 PRO B 408 -3.577 -3.163 13.911 1.00 0.00 H new ATOM 0 HG3 PRO B 408 -3.389 -2.558 15.545 1.00 0.00 H new ATOM 0 HD2 PRO B 408 -1.256 -2.855 13.879 1.00 0.00 H new ATOM 0 HD3 PRO B 408 -1.099 -3.061 15.612 1.00 0.00 H new ATOM 592 N ALA B 409 -4.017 -7.278 13.701 1.00 0.00 N ATOM 593 CA ALA B 409 -4.648 -7.945 12.568 1.00 0.00 C ATOM 594 C ALA B 409 -3.608 -8.620 11.682 1.00 0.00 C ATOM 595 O ALA B 409 -2.879 -7.957 10.945 1.00 0.00 O ATOM 596 CB ALA B 409 -5.467 -6.950 11.760 1.00 0.00 C ATOM 0 H ALA B 409 -4.314 -7.625 14.613 1.00 0.00 H new ATOM 0 HA ALA B 409 -5.313 -8.716 12.955 1.00 0.00 H new ATOM 0 HB1 ALA B 409 -5.932 -7.461 10.917 1.00 0.00 H new ATOM 0 HB2 ALA B 409 -6.241 -6.516 12.394 1.00 0.00 H new ATOM 0 HB3 ALA B 409 -4.816 -6.159 11.389 1.00 0.00 H new ATOM 602 N HIS B 410 -3.544 -9.946 11.758 1.00 0.00 N ATOM 603 CA HIS B 410 -2.592 -10.712 10.961 1.00 0.00 C ATOM 604 C HIS B 410 -3.259 -11.278 9.712 1.00 0.00 C ATOM 605 O HIS B 410 -2.929 -10.892 8.592 1.00 0.00 O ATOM 606 CB HIS B 410 -1.997 -11.849 11.795 1.00 0.00 C ATOM 607 CG HIS B 410 -0.618 -12.245 11.368 1.00 0.00 C ATOM 608 ND1 HIS B 410 -0.373 -13.194 10.399 1.00 0.00 N ATOM 609 CD2 HIS B 410 0.597 -11.812 11.784 1.00 0.00 C ATOM 610 CE1 HIS B 410 0.932 -13.331 10.239 1.00 0.00 C ATOM 611 NE2 HIS B 410 1.541 -12.502 11.066 1.00 0.00 N ATOM 0 H HIS B 410 -4.139 -10.512 12.363 1.00 0.00 H new ATOM 0 HA HIS B 410 -1.792 -10.040 10.650 1.00 0.00 H new ATOM 0 HB2 HIS B 410 -1.972 -11.546 12.842 1.00 0.00 H new ATOM 0 HB3 HIS B 410 -2.652 -12.718 11.730 1.00 0.00 H new ATOM 0 HD2 HIS B 410 0.787 -11.064 12.539 1.00 0.00 H new ATOM 0 HE1 HIS B 410 1.417 -14.006 9.549 1.00 0.00 H new ATOM 0 HE2 HIS B 410 2.551 -12.392 11.157 1.00 0.00 H new ATOM 620 N HIS B 411 -4.201 -12.195 9.915 1.00 0.00 N ATOM 621 CA HIS B 411 -4.918 -12.817 8.806 1.00 0.00 C ATOM 622 C HIS B 411 -3.971 -13.633 7.932 1.00 0.00 C ATOM 623 O HIS B 411 -3.914 -14.858 8.039 1.00 0.00 O ATOM 624 CB HIS B 411 -5.625 -11.751 7.963 1.00 0.00 C ATOM 625 CG HIS B 411 -7.053 -11.529 8.353 1.00 0.00 C ATOM 626 ND1 HIS B 411 -7.798 -10.459 7.906 1.00 0.00 N ATOM 627 CD2 HIS B 411 -7.874 -12.248 9.155 1.00 0.00 C ATOM 628 CE1 HIS B 411 -9.016 -10.529 8.415 1.00 0.00 C ATOM 629 NE2 HIS B 411 -9.087 -11.605 9.176 1.00 0.00 N ATOM 0 H HIS B 411 -4.486 -12.524 10.838 1.00 0.00 H new ATOM 0 HA HIS B 411 -5.665 -13.491 9.224 1.00 0.00 H new ATOM 0 HB2 HIS B 411 -5.082 -10.810 8.052 1.00 0.00 H new ATOM 0 HB3 HIS B 411 -5.585 -12.044 6.914 1.00 0.00 H new ATOM 0 HD2 HIS B 411 -7.622 -13.157 9.680 1.00 0.00 H new ATOM 0 HE1 HIS B 411 -9.816 -9.826 8.238 1.00 0.00 H new ATOM 0 HE2 HIS B 411 -9.910 -11.910 9.696 1.00 0.00 H new ATOM 638 N ASN B 412 -3.228 -12.948 7.068 1.00 0.00 N ATOM 639 CA ASN B 412 -2.283 -13.611 6.177 1.00 0.00 C ATOM 640 C ASN B 412 -1.492 -12.591 5.365 1.00 0.00 C ATOM 641 O ASN B 412 -0.285 -12.440 5.546 1.00 0.00 O ATOM 642 CB ASN B 412 -3.021 -14.567 5.239 1.00 0.00 C ATOM 643 CG ASN B 412 -2.207 -15.805 4.917 1.00 0.00 C ATOM 644 OD1 ASN B 412 -0.998 -15.844 5.145 1.00 0.00 O ATOM 645 ND2 ASN B 412 -2.867 -16.826 4.382 1.00 0.00 N ATOM 0 H ASN B 412 -3.262 -11.934 6.966 1.00 0.00 H new ATOM 0 HA ASN B 412 -1.583 -14.181 6.789 1.00 0.00 H new ATOM 0 HB2 ASN B 412 -3.964 -14.865 5.697 1.00 0.00 H new ATOM 0 HB3 ASN B 412 -3.266 -14.046 4.313 1.00 0.00 H new ATOM 0 HD21 ASN B 412 -2.371 -17.685 4.143 1.00 0.00 H new ATOM 0 HD22 ASN B 412 -3.870 -16.751 4.210 1.00 0.00 H new ATOM 652 N MET B 413 -2.183 -11.894 4.469 1.00 0.00 N ATOM 653 CA MET B 413 -1.545 -10.887 3.628 1.00 0.00 C ATOM 654 C MET B 413 -1.395 -9.568 4.377 1.00 0.00 C ATOM 655 O MET B 413 -1.698 -9.480 5.567 1.00 0.00 O ATOM 656 CB MET B 413 -2.357 -10.671 2.349 1.00 0.00 C ATOM 657 CG MET B 413 -3.749 -10.116 2.599 1.00 0.00 C ATOM 658 SD MET B 413 -4.911 -10.540 1.287 1.00 0.00 S ATOM 659 CE MET B 413 -3.927 -10.182 -0.166 1.00 0.00 C ATOM 0 H MET B 413 -3.184 -12.008 4.306 1.00 0.00 H new ATOM 0 HA MET B 413 -0.551 -11.248 3.363 1.00 0.00 H new ATOM 0 HB2 MET B 413 -1.815 -9.988 1.695 1.00 0.00 H new ATOM 0 HB3 MET B 413 -2.443 -11.619 1.819 1.00 0.00 H new ATOM 0 HG2 MET B 413 -4.123 -10.499 3.548 1.00 0.00 H new ATOM 0 HG3 MET B 413 -3.692 -9.031 2.692 1.00 0.00 H new ATOM 0 HE1 MET B 413 -4.581 -10.083 -1.033 1.00 0.00 H new ATOM 0 HE2 MET B 413 -3.380 -9.251 -0.015 1.00 0.00 H new ATOM 0 HE3 MET B 413 -3.220 -10.994 -0.336 1.00 0.00 H new ATOM 669 N PHE B 414 -0.926 -8.543 3.673 1.00 0.00 N ATOM 670 CA PHE B 414 -0.736 -7.226 4.272 1.00 0.00 C ATOM 671 C PHE B 414 0.258 -7.293 5.429 1.00 0.00 C ATOM 672 O PHE B 414 0.173 -6.514 6.378 1.00 0.00 O ATOM 673 CB PHE B 414 -2.075 -6.669 4.763 1.00 0.00 C ATOM 674 CG PHE B 414 -2.176 -5.172 4.671 1.00 0.00 C ATOM 675 CD1 PHE B 414 -1.703 -4.368 5.697 1.00 0.00 C ATOM 676 CD2 PHE B 414 -2.744 -4.568 3.560 1.00 0.00 C ATOM 677 CE1 PHE B 414 -1.793 -2.991 5.614 1.00 0.00 C ATOM 678 CE2 PHE B 414 -2.838 -3.195 3.474 1.00 0.00 C ATOM 679 CZ PHE B 414 -2.362 -2.404 4.501 1.00 0.00 C ATOM 0 H PHE B 414 -0.670 -8.599 2.687 1.00 0.00 H new ATOM 0 HA PHE B 414 -0.332 -6.561 3.509 1.00 0.00 H new ATOM 0 HB2 PHE B 414 -2.880 -7.115 4.179 1.00 0.00 H new ATOM 0 HB3 PHE B 414 -2.227 -6.972 5.799 1.00 0.00 H new ATOM 0 HD1 PHE B 414 -1.259 -4.823 6.571 1.00 0.00 H new ATOM 0 HD2 PHE B 414 -3.117 -5.180 2.752 1.00 0.00 H new ATOM 0 HE1 PHE B 414 -1.419 -2.375 6.418 1.00 0.00 H new ATOM 0 HE2 PHE B 414 -3.284 -2.738 2.603 1.00 0.00 H new ATOM 0 HZ PHE B 414 -2.435 -1.329 4.434 1.00 0.00 H new ATOM 689 N SER B 415 1.201 -8.226 5.343 1.00 0.00 N ATOM 690 CA SER B 415 2.211 -8.388 6.385 1.00 0.00 C ATOM 691 C SER B 415 3.477 -7.605 6.039 1.00 0.00 C ATOM 692 O SER B 415 3.612 -6.438 6.408 1.00 0.00 O ATOM 693 CB SER B 415 2.535 -9.871 6.588 1.00 0.00 C ATOM 694 OG SER B 415 3.747 -10.035 7.302 1.00 0.00 O ATOM 0 H SER B 415 1.288 -8.880 4.565 1.00 0.00 H new ATOM 0 HA SER B 415 1.809 -7.990 7.317 1.00 0.00 H new ATOM 0 HB2 SER B 415 1.722 -10.353 7.130 1.00 0.00 H new ATOM 0 HB3 SER B 415 2.610 -10.366 5.620 1.00 0.00 H new ATOM 0 HG SER B 415 3.930 -10.990 7.420 1.00 0.00 H new ATOM 700 N VAL B 416 4.404 -8.245 5.324 1.00 0.00 N ATOM 701 CA VAL B 416 5.649 -7.590 4.931 1.00 0.00 C ATOM 702 C VAL B 416 6.217 -8.204 3.649 1.00 0.00 C ATOM 703 O VAL B 416 7.399 -8.542 3.582 1.00 0.00 O ATOM 704 CB VAL B 416 6.715 -7.667 6.044 1.00 0.00 C ATOM 705 CG1 VAL B 416 7.834 -6.674 5.774 1.00 0.00 C ATOM 706 CG2 VAL B 416 6.092 -7.414 7.409 1.00 0.00 C ATOM 0 H VAL B 416 4.316 -9.211 5.008 1.00 0.00 H new ATOM 0 HA VAL B 416 5.405 -6.543 4.753 1.00 0.00 H new ATOM 0 HB VAL B 416 7.136 -8.672 6.046 1.00 0.00 H new ATOM 0 HG11 VAL B 416 8.578 -6.740 6.568 1.00 0.00 H new ATOM 0 HG12 VAL B 416 8.302 -6.905 4.817 1.00 0.00 H new ATOM 0 HG13 VAL B 416 7.425 -5.664 5.743 1.00 0.00 H new ATOM 0 HG21 VAL B 416 6.863 -7.473 8.177 1.00 0.00 H new ATOM 0 HG22 VAL B 416 5.640 -6.422 7.424 1.00 0.00 H new ATOM 0 HG23 VAL B 416 5.326 -8.165 7.604 1.00 0.00 H new ATOM 716 N PRO B 417 5.378 -8.343 2.606 1.00 0.00 N ATOM 717 CA PRO B 417 5.796 -8.903 1.316 1.00 0.00 C ATOM 718 C PRO B 417 6.737 -7.962 0.569 1.00 0.00 C ATOM 719 O PRO B 417 6.669 -6.746 0.746 1.00 0.00 O ATOM 720 CB PRO B 417 4.481 -9.065 0.552 1.00 0.00 C ATOM 721 CG PRO B 417 3.573 -8.048 1.146 1.00 0.00 C ATOM 722 CD PRO B 417 3.955 -7.949 2.597 1.00 0.00 C ATOM 0 HA PRO B 417 6.348 -9.836 1.431 1.00 0.00 H new ATOM 0 HB2 PRO B 417 4.620 -8.897 -0.516 1.00 0.00 H new ATOM 0 HB3 PRO B 417 4.078 -10.071 0.666 1.00 0.00 H new ATOM 0 HG2 PRO B 417 3.685 -7.086 0.646 1.00 0.00 H new ATOM 0 HG3 PRO B 417 2.530 -8.345 1.036 1.00 0.00 H new ATOM 0 HD2 PRO B 417 3.816 -6.938 2.981 1.00 0.00 H new ATOM 0 HD3 PRO B 417 3.351 -8.611 3.217 1.00 0.00 H new ATOM 730 N PRO B 418 7.634 -8.502 -0.275 1.00 0.00 N ATOM 731 CA PRO B 418 8.579 -7.672 -1.028 1.00 0.00 C ATOM 732 C PRO B 418 7.840 -6.659 -1.896 1.00 0.00 C ATOM 733 O PRO B 418 6.802 -6.973 -2.478 1.00 0.00 O ATOM 734 CB PRO B 418 9.335 -8.681 -1.900 1.00 0.00 C ATOM 735 CG PRO B 418 9.152 -9.995 -1.218 1.00 0.00 C ATOM 736 CD PRO B 418 7.804 -9.937 -0.555 1.00 0.00 C ATOM 0 HA PRO B 418 9.238 -7.092 -0.382 1.00 0.00 H new ATOM 0 HB2 PRO B 418 8.935 -8.704 -2.914 1.00 0.00 H new ATOM 0 HB3 PRO B 418 10.391 -8.421 -1.979 1.00 0.00 H new ATOM 0 HG2 PRO B 418 9.199 -10.815 -1.934 1.00 0.00 H new ATOM 0 HG3 PRO B 418 9.940 -10.166 -0.485 1.00 0.00 H new ATOM 0 HD2 PRO B 418 7.017 -10.317 -1.207 1.00 0.00 H new ATOM 0 HD3 PRO B 418 7.777 -10.532 0.358 1.00 0.00 H new ATOM 744 N PRO B 419 8.343 -5.415 -1.969 1.00 0.00 N ATOM 745 CA PRO B 419 7.689 -4.353 -2.740 1.00 0.00 C ATOM 746 C PRO B 419 7.775 -4.538 -4.257 1.00 0.00 C ATOM 747 O PRO B 419 8.830 -4.877 -4.791 1.00 0.00 O ATOM 748 CB PRO B 419 8.465 -3.099 -2.332 1.00 0.00 C ATOM 749 CG PRO B 419 9.799 -3.596 -1.898 1.00 0.00 C ATOM 750 CD PRO B 419 9.554 -4.939 -1.277 1.00 0.00 C ATOM 0 HA PRO B 419 6.620 -4.326 -2.530 1.00 0.00 H new ATOM 0 HB2 PRO B 419 8.555 -2.402 -3.165 1.00 0.00 H new ATOM 0 HB3 PRO B 419 7.960 -2.567 -1.525 1.00 0.00 H new ATOM 0 HG2 PRO B 419 10.481 -3.676 -2.745 1.00 0.00 H new ATOM 0 HG3 PRO B 419 10.257 -2.913 -1.183 1.00 0.00 H new ATOM 0 HD2 PRO B 419 10.397 -5.613 -1.431 1.00 0.00 H new ATOM 0 HD3 PRO B 419 9.399 -4.863 -0.201 1.00 0.00 H new ATOM 758 N PRO B 420 6.660 -4.281 -4.974 1.00 0.00 N ATOM 759 CA PRO B 420 6.601 -4.383 -6.431 1.00 0.00 C ATOM 760 C PRO B 420 7.267 -3.195 -7.131 1.00 0.00 C ATOM 761 O PRO B 420 8.185 -3.371 -7.931 1.00 0.00 O ATOM 762 CB PRO B 420 5.095 -4.407 -6.747 1.00 0.00 C ATOM 763 CG PRO B 420 4.397 -4.427 -5.425 1.00 0.00 C ATOM 764 CD PRO B 420 5.366 -3.863 -4.429 1.00 0.00 C ATOM 0 HA PRO B 420 7.135 -5.264 -6.786 1.00 0.00 H new ATOM 0 HB2 PRO B 420 4.804 -3.532 -7.329 1.00 0.00 H new ATOM 0 HB3 PRO B 420 4.834 -5.284 -7.339 1.00 0.00 H new ATOM 0 HG2 PRO B 420 3.484 -3.833 -5.458 1.00 0.00 H new ATOM 0 HG3 PRO B 420 4.107 -5.442 -5.154 1.00 0.00 H new ATOM 0 HD2 PRO B 420 5.288 -2.778 -4.356 1.00 0.00 H new ATOM 0 HD3 PRO B 420 5.199 -4.263 -3.429 1.00 0.00 H new ATOM 772 N ILE B 421 6.778 -1.981 -6.843 1.00 0.00 N ATOM 773 CA ILE B 421 7.316 -0.773 -7.473 1.00 0.00 C ATOM 774 C ILE B 421 8.459 -0.156 -6.664 1.00 0.00 C ATOM 775 O ILE B 421 8.954 -0.761 -5.712 1.00 0.00 O ATOM 776 CB ILE B 421 6.196 0.279 -7.782 1.00 0.00 C ATOM 777 CG1 ILE B 421 6.165 1.434 -6.746 1.00 0.00 C ATOM 778 CG2 ILE B 421 4.835 -0.413 -7.895 1.00 0.00 C ATOM 779 CD1 ILE B 421 4.778 1.912 -6.342 1.00 0.00 C ATOM 0 H ILE B 421 6.018 -1.812 -6.184 1.00 0.00 H new ATOM 0 HA ILE B 421 7.736 -1.086 -8.429 1.00 0.00 H new ATOM 0 HB ILE B 421 6.432 0.739 -8.742 1.00 0.00 H new ATOM 0 HG12 ILE B 421 6.694 1.110 -5.850 1.00 0.00 H new ATOM 0 HG13 ILE B 421 6.718 2.280 -7.154 1.00 0.00 H new ATOM 0 HG21 ILE B 421 4.066 0.329 -8.110 1.00 0.00 H new ATOM 0 HG22 ILE B 421 4.866 -1.147 -8.700 1.00 0.00 H new ATOM 0 HG23 ILE B 421 4.603 -0.915 -6.956 1.00 0.00 H new ATOM 0 HD11 ILE B 421 4.869 2.720 -5.616 1.00 0.00 H new ATOM 0 HD12 ILE B 421 4.247 2.274 -7.222 1.00 0.00 H new ATOM 0 HD13 ILE B 421 4.223 1.085 -5.898 1.00 0.00 H new ATOM 791 N LEU B 422 8.884 1.041 -7.058 1.00 0.00 N ATOM 792 CA LEU B 422 9.974 1.731 -6.373 1.00 0.00 C ATOM 793 C LEU B 422 10.260 3.074 -7.034 1.00 0.00 C ATOM 794 O LEU B 422 11.414 3.483 -7.162 1.00 0.00 O ATOM 795 CB LEU B 422 11.239 0.867 -6.378 1.00 0.00 C ATOM 796 CG LEU B 422 12.075 0.939 -5.100 1.00 0.00 C ATOM 797 CD1 LEU B 422 11.462 0.072 -4.011 1.00 0.00 C ATOM 798 CD2 LEU B 422 13.510 0.515 -5.378 1.00 0.00 C ATOM 0 H LEU B 422 8.491 1.554 -7.847 1.00 0.00 H new ATOM 0 HA LEU B 422 9.670 1.908 -5.341 1.00 0.00 H new ATOM 0 HB2 LEU B 422 10.952 -0.171 -6.548 1.00 0.00 H new ATOM 0 HB3 LEU B 422 11.863 1.167 -7.220 1.00 0.00 H new ATOM 0 HG LEU B 422 12.083 1.972 -4.751 1.00 0.00 H new ATOM 0 HD11 LEU B 422 12.071 0.136 -3.109 1.00 0.00 H new ATOM 0 HD12 LEU B 422 10.453 0.421 -3.793 1.00 0.00 H new ATOM 0 HD13 LEU B 422 11.423 -0.963 -4.349 1.00 0.00 H new ATOM 0 HD21 LEU B 422 14.091 0.572 -4.458 1.00 0.00 H new ATOM 0 HD22 LEU B 422 13.521 -0.509 -5.751 1.00 0.00 H new ATOM 0 HD23 LEU B 422 13.947 1.178 -6.125 1.00 0.00 H new ATOM 810 N GLY B 423 9.200 3.756 -7.454 1.00 0.00 N ATOM 811 CA GLY B 423 9.355 5.045 -8.099 1.00 0.00 C ATOM 812 C GLY B 423 9.236 6.200 -7.125 1.00 0.00 C ATOM 813 O GLY B 423 9.721 6.122 -5.996 1.00 0.00 O ATOM 0 H GLY B 423 8.236 3.438 -7.359 1.00 0.00 H new ATOM 0 HA2 GLY B 423 10.327 5.087 -8.590 1.00 0.00 H new ATOM 0 HA3 GLY B 423 8.599 5.151 -8.877 1.00 0.00 H new ATOM 817 N ARG B 424 8.586 7.275 -7.561 1.00 0.00 N ATOM 818 CA ARG B 424 8.405 8.452 -6.720 1.00 0.00 C ATOM 819 C ARG B 424 7.549 9.499 -7.426 1.00 0.00 C ATOM 820 O ARG B 424 8.049 10.281 -8.234 1.00 0.00 O ATOM 821 CB ARG B 424 9.762 9.052 -6.347 1.00 0.00 C ATOM 822 CG ARG B 424 9.684 10.083 -5.232 1.00 0.00 C ATOM 823 CD ARG B 424 9.528 11.490 -5.784 1.00 0.00 C ATOM 824 NE ARG B 424 10.706 11.916 -6.535 1.00 0.00 N ATOM 825 CZ ARG B 424 10.706 12.928 -7.400 1.00 0.00 C ATOM 826 NH1 ARG B 424 9.597 13.620 -7.625 1.00 0.00 N ATOM 827 NH2 ARG B 424 11.821 13.251 -8.042 1.00 0.00 N ATOM 0 H ARG B 424 8.176 7.355 -8.492 1.00 0.00 H new ATOM 0 HA ARG B 424 7.891 8.142 -5.810 1.00 0.00 H new ATOM 0 HB2 ARG B 424 10.434 8.249 -6.042 1.00 0.00 H new ATOM 0 HB3 ARG B 424 10.200 9.516 -7.230 1.00 0.00 H new ATOM 0 HG2 ARG B 424 8.842 9.852 -4.579 1.00 0.00 H new ATOM 0 HG3 ARG B 424 10.585 10.029 -4.621 1.00 0.00 H new ATOM 0 HD2 ARG B 424 8.651 11.531 -6.431 1.00 0.00 H new ATOM 0 HD3 ARG B 424 9.351 12.184 -4.963 1.00 0.00 H new ATOM 0 HE ARG B 424 11.579 11.409 -6.388 1.00 0.00 H new ATOM 0 HH11 ARG B 424 8.736 13.378 -7.134 1.00 0.00 H new ATOM 0 HH12 ARG B 424 9.605 14.394 -8.289 1.00 0.00 H new ATOM 0 HH21 ARG B 424 12.678 12.724 -7.873 1.00 0.00 H new ATOM 0 HH22 ARG B 424 11.822 14.026 -8.705 1.00 0.00 H new ATOM 841 N GLY B 425 6.257 9.506 -7.116 1.00 0.00 N ATOM 842 CA GLY B 425 5.353 10.462 -7.730 1.00 0.00 C ATOM 843 C GLY B 425 5.151 11.700 -6.878 1.00 0.00 C ATOM 844 O GLY B 425 5.887 12.688 -7.084 1.00 0.00 O ATOM 845 OXT GLY B 425 4.257 11.681 -6.006 1.00 0.00 O ATOM 0 H GLY B 425 5.820 8.868 -6.451 1.00 0.00 H new ATOM 0 HA2 GLY B 425 5.746 10.755 -8.704 1.00 0.00 H new ATOM 0 HA3 GLY B 425 4.389 9.985 -7.906 1.00 0.00 H new TER 849 GLY B 425