USER MOD reduce.3.24.130724 H: found=0, std=0, add=339, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 340 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 NoAdj-H: A 695 HIS HE2 : A 695 HIS NE2 : A 902 ZNZN :(H bumps) USER MOD Single : A 659 SER OG : rot 180:sc= 0.0516 USER MOD Single : A 660 SER OG : rot 180:sc= 0 USER MOD Single : A 662 SER OG : rot 180:sc= 0 USER MOD Single : A 665 ASN : amide:sc= -1.84! C(o=-1.8!,f=-1.7!) USER MOD Single : A 669 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 671 SER OG : rot 180:sc= 0 USER MOD Single : A 673 THR OG1 : rot 150:sc= 0.236 USER MOD Single : A 675 SER OG : rot 180:sc= 0 USER MOD Single : A 678 ASN : amide:sc= -0.0349 K(o=-0.035,f=-1) USER MOD Single : A 679 THR OG1 : rot 53:sc= 0.335 USER MOD Single : A 682 TYR OH : rot 180:sc= -1.06 USER MOD Single : A 685 SER OG : rot 180:sc= -0.0104 USER MOD Single : A 688 GLN : amide:sc= -1.03 K(o=-1,f=-4.4!) USER MOD Single : A 689 HIS : no HD1:sc= -0.387 X(o=-0.39,f=-0.18) USER MOD Single : A 690 LYS NZ :NH3+ -116:sc= -0.43 (180deg=-1.7!) USER MOD Single : A 694 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 696 HIS :FLIP no HD1:sc= -4.47! C(o=-5.8!,f=-4.5!) USER MOD Single : A 697 HIS : no HD1:sc= -0.271 X(o=-0.27,f=-0.0095) USER MOD Single : A 701 GLN : amide:sc=-0.000274 K(o=-0.00027,f=-1.3!) USER MOD Single : A 702 THR OG1 : rot 180:sc= -0.0192 USER MOD Single : A 704 GLN : amide:sc=-0.00171 X(o=-0.0017,f=-0.36) USER MOD Single : A 706 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 707 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 658 -3.793 -1.073 18.383 1.00 0.00 N ATOM 2 CA ASP A 658 -3.931 -1.029 16.932 1.00 0.00 C ATOM 3 C ASP A 658 -3.819 -2.427 16.333 1.00 0.00 C ATOM 4 O ASP A 658 -2.720 -2.909 16.057 1.00 0.00 O ATOM 5 CB ASP A 658 -2.865 -0.113 16.326 1.00 0.00 C ATOM 6 CG ASP A 658 -3.434 1.222 15.885 1.00 0.00 C ATOM 7 OD1 ASP A 658 -4.281 1.232 14.966 1.00 0.00 O ATOM 8 OD2 ASP A 658 -3.033 2.258 16.457 1.00 0.00 O ATOM 0 HA ASP A 658 -4.918 -0.631 16.696 1.00 0.00 H new ATOM 0 HB2 ASP A 658 -2.075 0.056 17.058 1.00 0.00 H new ATOM 0 HB3 ASP A 658 -2.406 -0.610 15.471 1.00 0.00 H new ATOM 13 N SER A 659 -4.963 -3.073 16.135 1.00 0.00 N ATOM 14 CA SER A 659 -4.994 -4.417 15.568 1.00 0.00 C ATOM 15 C SER A 659 -4.885 -4.367 14.047 1.00 0.00 C ATOM 16 O SER A 659 -3.918 -4.863 13.468 1.00 0.00 O ATOM 17 CB SER A 659 -6.282 -5.136 15.975 1.00 0.00 C ATOM 18 OG SER A 659 -7.404 -4.277 15.859 1.00 0.00 O ATOM 0 H SER A 659 -5.881 -2.688 16.359 1.00 0.00 H new ATOM 0 HA SER A 659 -4.139 -4.969 15.959 1.00 0.00 H new ATOM 0 HB2 SER A 659 -6.426 -6.015 15.346 1.00 0.00 H new ATOM 0 HB3 SER A 659 -6.196 -5.490 17.002 1.00 0.00 H new ATOM 0 HG SER A 659 -8.215 -4.760 16.123 1.00 0.00 H new ATOM 24 N SER A 660 -5.882 -3.767 13.406 1.00 0.00 N ATOM 25 CA SER A 660 -5.898 -3.654 11.952 1.00 0.00 C ATOM 26 C SER A 660 -6.404 -2.282 11.517 1.00 0.00 C ATOM 27 O SER A 660 -6.579 -1.384 12.340 1.00 0.00 O ATOM 28 CB SER A 660 -6.776 -4.751 11.345 1.00 0.00 C ATOM 29 OG SER A 660 -6.422 -6.026 11.851 1.00 0.00 O ATOM 0 H SER A 660 -6.690 -3.351 13.870 1.00 0.00 H new ATOM 0 HA SER A 660 -4.876 -3.774 11.592 1.00 0.00 H new ATOM 0 HB2 SER A 660 -7.824 -4.547 11.566 1.00 0.00 H new ATOM 0 HB3 SER A 660 -6.672 -4.745 10.260 1.00 0.00 H new ATOM 0 HG SER A 660 -6.998 -6.709 11.449 1.00 0.00 H new ATOM 35 N GLU A 661 -6.636 -2.129 10.217 1.00 0.00 N ATOM 36 CA GLU A 661 -7.121 -0.868 9.669 1.00 0.00 C ATOM 37 C GLU A 661 -6.117 0.257 9.915 1.00 0.00 C ATOM 38 O GLU A 661 -6.425 1.245 10.582 1.00 0.00 O ATOM 39 CB GLU A 661 -8.475 -0.507 10.284 1.00 0.00 C ATOM 40 CG GLU A 661 -9.426 0.165 9.307 1.00 0.00 C ATOM 41 CD GLU A 661 -10.880 -0.160 9.591 1.00 0.00 C ATOM 42 OE1 GLU A 661 -11.168 -1.316 9.965 1.00 0.00 O ATOM 43 OE2 GLU A 661 -11.731 0.742 9.437 1.00 0.00 O ATOM 0 H GLU A 661 -6.496 -2.864 9.523 1.00 0.00 H new ATOM 0 HA GLU A 661 -7.241 -0.991 8.593 1.00 0.00 H new ATOM 0 HB2 GLU A 661 -8.943 -1.413 10.669 1.00 0.00 H new ATOM 0 HB3 GLU A 661 -8.314 0.155 11.135 1.00 0.00 H new ATOM 0 HG2 GLU A 661 -9.284 1.245 9.352 1.00 0.00 H new ATOM 0 HG3 GLU A 661 -9.179 -0.147 8.292 1.00 0.00 H new ATOM 50 N SER A 662 -4.916 0.097 9.371 1.00 0.00 N ATOM 51 CA SER A 662 -3.865 1.097 9.528 1.00 0.00 C ATOM 52 C SER A 662 -3.221 1.418 8.184 1.00 0.00 C ATOM 53 O SER A 662 -2.922 0.517 7.401 1.00 0.00 O ATOM 54 CB SER A 662 -2.803 0.601 10.510 1.00 0.00 C ATOM 55 OG SER A 662 -3.094 1.022 11.832 1.00 0.00 O ATOM 0 H SER A 662 -4.645 -0.716 8.817 1.00 0.00 H new ATOM 0 HA SER A 662 -4.317 2.007 9.923 1.00 0.00 H new ATOM 0 HB2 SER A 662 -2.751 -0.487 10.475 1.00 0.00 H new ATOM 0 HB3 SER A 662 -1.824 0.977 10.212 1.00 0.00 H new ATOM 0 HG SER A 662 -2.401 0.691 12.441 1.00 0.00 H new ATOM 61 N CYS A 663 -3.008 2.703 7.918 1.00 0.00 N ATOM 62 CA CYS A 663 -2.398 3.132 6.664 1.00 0.00 C ATOM 63 C CYS A 663 -0.962 2.628 6.558 1.00 0.00 C ATOM 64 O CYS A 663 -0.161 2.804 7.476 1.00 0.00 O ATOM 65 CB CYS A 663 -2.422 4.658 6.564 1.00 0.00 C ATOM 66 SG CYS A 663 -2.040 5.305 4.918 1.00 0.00 S ATOM 0 H CYS A 663 -3.248 3.464 8.553 1.00 0.00 H new ATOM 0 HA CYS A 663 -2.974 2.708 5.841 1.00 0.00 H new ATOM 0 HB2 CYS A 663 -3.408 5.014 6.861 1.00 0.00 H new ATOM 0 HB3 CYS A 663 -1.707 5.068 7.277 1.00 0.00 H new ATOM 71 N TRP A 664 -0.649 1.992 5.434 1.00 0.00 N ATOM 72 CA TRP A 664 0.687 1.452 5.203 1.00 0.00 C ATOM 73 C TRP A 664 1.763 2.529 5.338 1.00 0.00 C ATOM 74 O TRP A 664 2.939 2.216 5.521 1.00 0.00 O ATOM 75 CB TRP A 664 0.764 0.805 3.819 1.00 0.00 C ATOM 76 CG TRP A 664 -0.017 -0.470 3.720 1.00 0.00 C ATOM 77 CD1 TRP A 664 -1.207 -0.748 4.327 1.00 0.00 C ATOM 78 CD2 TRP A 664 0.335 -1.640 2.973 1.00 0.00 C ATOM 79 NE1 TRP A 664 -1.618 -2.018 4.004 1.00 0.00 N ATOM 80 CE2 TRP A 664 -0.689 -2.587 3.173 1.00 0.00 C ATOM 81 CE3 TRP A 664 1.415 -1.978 2.151 1.00 0.00 C ATOM 82 CZ2 TRP A 664 -0.661 -3.848 2.584 1.00 0.00 C ATOM 83 CZ3 TRP A 664 1.439 -3.231 1.567 1.00 0.00 C ATOM 84 CH2 TRP A 664 0.408 -4.152 1.785 1.00 0.00 C ATOM 0 H TRP A 664 -1.303 1.837 4.667 1.00 0.00 H new ATOM 0 HA TRP A 664 0.874 0.696 5.966 1.00 0.00 H new ATOM 0 HB2 TRP A 664 0.393 1.509 3.074 1.00 0.00 H new ATOM 0 HB3 TRP A 664 1.807 0.604 3.576 1.00 0.00 H new ATOM 0 HD1 TRP A 664 -1.747 -0.068 4.969 1.00 0.00 H new ATOM 0 HE1 TRP A 664 -2.475 -2.465 4.330 1.00 0.00 H new ATOM 0 HE3 TRP A 664 2.215 -1.274 1.976 1.00 0.00 H new ATOM 0 HZ2 TRP A 664 -1.455 -4.561 2.752 1.00 0.00 H new ATOM 0 HZ3 TRP A 664 2.268 -3.504 0.931 1.00 0.00 H new ATOM 0 HH2 TRP A 664 0.457 -5.122 1.313 1.00 0.00 H new ATOM 95 N ASN A 665 1.363 3.796 5.247 1.00 0.00 N ATOM 96 CA ASN A 665 2.301 4.907 5.360 1.00 0.00 C ATOM 97 C ASN A 665 2.065 5.690 6.651 1.00 0.00 C ATOM 98 O ASN A 665 2.950 5.788 7.501 1.00 0.00 O ATOM 99 CB ASN A 665 2.165 5.830 4.142 1.00 0.00 C ATOM 100 CG ASN A 665 2.821 7.183 4.348 1.00 0.00 C ATOM 101 OD1 ASN A 665 4.046 7.303 4.322 1.00 0.00 O ATOM 102 ND2 ASN A 665 2.004 8.210 4.554 1.00 0.00 N ATOM 0 H ASN A 665 0.394 4.077 5.095 1.00 0.00 H new ATOM 0 HA ASN A 665 3.314 4.505 5.390 1.00 0.00 H new ATOM 0 HB2 ASN A 665 2.610 5.345 3.274 1.00 0.00 H new ATOM 0 HB3 ASN A 665 1.108 5.975 3.919 1.00 0.00 H new ATOM 0 HD21 ASN A 665 2.386 9.145 4.699 1.00 0.00 H new ATOM 0 HD22 ASN A 665 0.995 8.064 4.567 1.00 0.00 H new ATOM 109 N CYS A 666 0.879 6.278 6.768 1.00 0.00 N ATOM 110 CA CYS A 666 0.535 7.092 7.930 1.00 0.00 C ATOM 111 C CYS A 666 0.739 6.357 9.250 1.00 0.00 C ATOM 112 O CYS A 666 1.233 6.940 10.214 1.00 0.00 O ATOM 113 CB CYS A 666 -0.906 7.588 7.833 1.00 0.00 C ATOM 114 SG CYS A 666 -1.164 8.839 6.556 1.00 0.00 S ATOM 0 H CYS A 666 0.138 6.206 6.071 1.00 0.00 H new ATOM 0 HA CYS A 666 1.218 7.942 7.922 1.00 0.00 H new ATOM 0 HB2 CYS A 666 -1.560 6.739 7.634 1.00 0.00 H new ATOM 0 HB3 CYS A 666 -1.204 8.000 8.797 1.00 0.00 H new ATOM 119 N GLY A 667 0.355 5.083 9.306 1.00 0.00 N ATOM 120 CA GLY A 667 0.512 4.327 10.534 1.00 0.00 C ATOM 121 C GLY A 667 -0.603 4.593 11.530 1.00 0.00 C ATOM 122 O GLY A 667 -0.615 4.025 12.622 1.00 0.00 O ATOM 0 H GLY A 667 -0.058 4.566 8.530 1.00 0.00 H new ATOM 0 HA2 GLY A 667 0.539 3.263 10.300 1.00 0.00 H new ATOM 0 HA3 GLY A 667 1.470 4.577 10.991 1.00 0.00 H new ATOM 126 N ARG A 668 -1.542 5.463 11.158 1.00 0.00 N ATOM 127 CA ARG A 668 -2.660 5.800 12.032 1.00 0.00 C ATOM 128 C ARG A 668 -3.897 4.979 11.686 1.00 0.00 C ATOM 129 O ARG A 668 -4.335 4.136 12.468 1.00 0.00 O ATOM 130 CB ARG A 668 -2.979 7.294 11.934 1.00 0.00 C ATOM 131 CG ARG A 668 -3.770 7.824 13.120 1.00 0.00 C ATOM 132 CD ARG A 668 -5.082 8.456 12.681 1.00 0.00 C ATOM 133 NE ARG A 668 -6.116 8.334 13.706 1.00 0.00 N ATOM 134 CZ ARG A 668 -6.109 9.012 14.851 1.00 0.00 C ATOM 135 NH1 ARG A 668 -5.124 9.859 15.124 1.00 0.00 N ATOM 136 NH2 ARG A 668 -7.089 8.843 15.728 1.00 0.00 N ATOM 0 H ARG A 668 -1.549 5.945 10.259 1.00 0.00 H new ATOM 0 HA ARG A 668 -2.369 5.563 13.055 1.00 0.00 H new ATOM 0 HB2 ARG A 668 -2.046 7.852 11.851 1.00 0.00 H new ATOM 0 HB3 ARG A 668 -3.543 7.478 11.020 1.00 0.00 H new ATOM 0 HG2 ARG A 668 -3.973 7.010 13.816 1.00 0.00 H new ATOM 0 HG3 ARG A 668 -3.172 8.561 13.657 1.00 0.00 H new ATOM 0 HD2 ARG A 668 -4.919 9.509 12.453 1.00 0.00 H new ATOM 0 HD3 ARG A 668 -5.424 7.981 11.762 1.00 0.00 H new ATOM 0 HE ARG A 668 -6.889 7.691 13.534 1.00 0.00 H new ATOM 0 HH11 ARG A 668 -4.367 9.993 14.454 1.00 0.00 H new ATOM 0 HH12 ARG A 668 -5.125 10.376 16.004 1.00 0.00 H new ATOM 0 HH21 ARG A 668 -7.849 8.193 15.525 1.00 0.00 H new ATOM 0 HH22 ARG A 668 -7.083 9.363 16.606 1.00 0.00 H new ATOM 150 N LYS A 669 -4.457 5.234 10.512 1.00 0.00 N ATOM 151 CA LYS A 669 -5.649 4.523 10.062 1.00 0.00 C ATOM 152 C LYS A 669 -5.805 4.608 8.546 1.00 0.00 C ATOM 153 O LYS A 669 -5.444 5.610 7.930 1.00 0.00 O ATOM 154 CB LYS A 669 -6.894 5.094 10.743 1.00 0.00 C ATOM 155 CG LYS A 669 -8.023 4.087 10.896 1.00 0.00 C ATOM 156 CD LYS A 669 -8.932 4.078 9.676 1.00 0.00 C ATOM 157 CE LYS A 669 -10.396 4.193 10.070 1.00 0.00 C ATOM 158 NZ LYS A 669 -10.872 5.605 10.050 1.00 0.00 N ATOM 0 H LYS A 669 -4.106 5.928 9.852 1.00 0.00 H new ATOM 0 HA LYS A 669 -5.536 3.474 10.336 1.00 0.00 H new ATOM 0 HB2 LYS A 669 -6.618 5.470 11.728 1.00 0.00 H new ATOM 0 HB3 LYS A 669 -7.254 5.946 10.166 1.00 0.00 H new ATOM 0 HG2 LYS A 669 -7.606 3.091 11.047 1.00 0.00 H new ATOM 0 HG3 LYS A 669 -8.607 4.326 11.785 1.00 0.00 H new ATOM 0 HD2 LYS A 669 -8.666 4.904 9.017 1.00 0.00 H new ATOM 0 HD3 LYS A 669 -8.777 3.158 9.113 1.00 0.00 H new ATOM 0 HE2 LYS A 669 -11.002 3.597 9.388 1.00 0.00 H new ATOM 0 HE3 LYS A 669 -10.536 3.778 11.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 669 -11.875 5.637 10.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 669 -10.311 6.170 10.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 669 -10.763 5.995 9.092 1.00 0.00 H new ATOM 172 N ALA A 670 -6.349 3.548 7.954 1.00 0.00 N ATOM 173 CA ALA A 670 -6.560 3.499 6.512 1.00 0.00 C ATOM 174 C ALA A 670 -7.996 3.100 6.184 1.00 0.00 C ATOM 175 O ALA A 670 -8.607 2.304 6.896 1.00 0.00 O ATOM 176 CB ALA A 670 -5.578 2.531 5.866 1.00 0.00 C ATOM 0 H ALA A 670 -6.652 2.711 8.452 1.00 0.00 H new ATOM 0 HA ALA A 670 -6.385 4.496 6.108 1.00 0.00 H new ATOM 0 HB1 ALA A 670 -5.748 2.505 4.790 1.00 0.00 H new ATOM 0 HB2 ALA A 670 -4.558 2.860 6.065 1.00 0.00 H new ATOM 0 HB3 ALA A 670 -5.724 1.534 6.281 1.00 0.00 H new ATOM 182 N SER A 671 -8.531 3.664 5.105 1.00 0.00 N ATOM 183 CA SER A 671 -9.898 3.368 4.688 1.00 0.00 C ATOM 184 C SER A 671 -9.940 2.844 3.254 1.00 0.00 C ATOM 185 O SER A 671 -10.773 2.002 2.916 1.00 0.00 O ATOM 186 CB SER A 671 -10.770 4.619 4.809 1.00 0.00 C ATOM 187 OG SER A 671 -12.073 4.291 5.259 1.00 0.00 O ATOM 0 H SER A 671 -8.040 4.327 4.505 1.00 0.00 H new ATOM 0 HA SER A 671 -10.287 2.591 5.346 1.00 0.00 H new ATOM 0 HB2 SER A 671 -10.309 5.322 5.503 1.00 0.00 H new ATOM 0 HB3 SER A 671 -10.831 5.119 3.842 1.00 0.00 H new ATOM 0 HG SER A 671 -12.610 5.108 5.330 1.00 0.00 H new ATOM 193 N GLU A 672 -9.043 3.350 2.414 1.00 0.00 N ATOM 194 CA GLU A 672 -8.989 2.933 1.017 1.00 0.00 C ATOM 195 C GLU A 672 -8.121 1.689 0.849 1.00 0.00 C ATOM 196 O GLU A 672 -7.200 1.449 1.631 1.00 0.00 O ATOM 197 CB GLU A 672 -8.448 4.068 0.145 1.00 0.00 C ATOM 198 CG GLU A 672 -9.141 5.399 0.382 1.00 0.00 C ATOM 199 CD GLU A 672 -9.361 6.178 -0.900 1.00 0.00 C ATOM 200 OE1 GLU A 672 -8.591 5.969 -1.862 1.00 0.00 O ATOM 201 OE2 GLU A 672 -10.303 6.996 -0.944 1.00 0.00 O ATOM 0 H GLU A 672 -8.346 4.047 2.675 1.00 0.00 H new ATOM 0 HA GLU A 672 -10.003 2.690 0.699 1.00 0.00 H new ATOM 0 HB2 GLU A 672 -7.381 4.184 0.335 1.00 0.00 H new ATOM 0 HB3 GLU A 672 -8.557 3.793 -0.904 1.00 0.00 H new ATOM 0 HG2 GLU A 672 -10.102 5.223 0.865 1.00 0.00 H new ATOM 0 HG3 GLU A 672 -8.544 5.998 1.069 1.00 0.00 H new ATOM 208 N THR A 673 -8.429 0.900 -0.175 1.00 0.00 N ATOM 209 CA THR A 673 -7.690 -0.327 -0.452 1.00 0.00 C ATOM 210 C THR A 673 -7.304 -0.413 -1.926 1.00 0.00 C ATOM 211 O THR A 673 -8.088 -0.054 -2.805 1.00 0.00 O ATOM 212 CB THR A 673 -8.522 -1.549 -0.060 1.00 0.00 C ATOM 213 OG1 THR A 673 -8.934 -1.461 1.293 1.00 0.00 O ATOM 214 CG2 THR A 673 -7.781 -2.857 -0.230 1.00 0.00 C ATOM 0 H THR A 673 -9.188 1.089 -0.829 1.00 0.00 H new ATOM 0 HA THR A 673 -6.777 -0.311 0.143 1.00 0.00 H new ATOM 0 HB THR A 673 -9.378 -1.545 -0.735 1.00 0.00 H new ATOM 0 HG1 THR A 673 -9.792 -1.922 1.404 1.00 0.00 H new ATOM 0 HG21 THR A 673 -8.428 -3.683 0.066 1.00 0.00 H new ATOM 0 HG22 THR A 673 -7.492 -2.978 -1.274 1.00 0.00 H new ATOM 0 HG23 THR A 673 -6.888 -2.854 0.396 1.00 0.00 H new ATOM 222 N CYS A 674 -6.090 -0.893 -2.189 1.00 0.00 N ATOM 223 CA CYS A 674 -5.596 -1.028 -3.558 1.00 0.00 C ATOM 224 C CYS A 674 -6.621 -1.726 -4.448 1.00 0.00 C ATOM 225 O CYS A 674 -7.027 -2.855 -4.176 1.00 0.00 O ATOM 226 CB CYS A 674 -4.281 -1.808 -3.569 1.00 0.00 C ATOM 227 SG CYS A 674 -3.464 -1.857 -5.182 1.00 0.00 S ATOM 0 H CYS A 674 -5.430 -1.195 -1.472 1.00 0.00 H new ATOM 0 HA CYS A 674 -5.425 -0.027 -3.954 1.00 0.00 H new ATOM 0 HB2 CYS A 674 -3.601 -1.363 -2.843 1.00 0.00 H new ATOM 0 HB3 CYS A 674 -4.474 -2.829 -3.240 1.00 0.00 H new ATOM 232 N SER A 675 -7.027 -1.050 -5.515 1.00 0.00 N ATOM 233 CA SER A 675 -7.997 -1.612 -6.446 1.00 0.00 C ATOM 234 C SER A 675 -7.335 -2.619 -7.386 1.00 0.00 C ATOM 235 O SER A 675 -8.015 -3.399 -8.053 1.00 0.00 O ATOM 236 CB SER A 675 -8.661 -0.499 -7.258 1.00 0.00 C ATOM 237 OG SER A 675 -10.045 -0.748 -7.431 1.00 0.00 O ATOM 0 H SER A 675 -6.701 -0.114 -5.757 1.00 0.00 H new ATOM 0 HA SER A 675 -8.758 -2.133 -5.865 1.00 0.00 H new ATOM 0 HB2 SER A 675 -8.521 0.457 -6.753 1.00 0.00 H new ATOM 0 HB3 SER A 675 -8.179 -0.418 -8.232 1.00 0.00 H new ATOM 0 HG SER A 675 -10.446 -0.021 -7.952 1.00 0.00 H new ATOM 243 N GLY A 676 -6.005 -2.588 -7.443 1.00 0.00 N ATOM 244 CA GLY A 676 -5.276 -3.493 -8.314 1.00 0.00 C ATOM 245 C GLY A 676 -5.010 -4.848 -7.683 1.00 0.00 C ATOM 246 O GLY A 676 -4.971 -5.860 -8.383 1.00 0.00 O ATOM 0 H GLY A 676 -5.420 -1.952 -6.901 1.00 0.00 H new ATOM 0 HA2 GLY A 676 -5.841 -3.633 -9.236 1.00 0.00 H new ATOM 0 HA3 GLY A 676 -4.326 -3.035 -8.589 1.00 0.00 H new ATOM 250 N CYS A 677 -4.821 -4.881 -6.366 1.00 0.00 N ATOM 251 CA CYS A 677 -4.552 -6.142 -5.676 1.00 0.00 C ATOM 252 C CYS A 677 -5.533 -6.386 -4.527 1.00 0.00 C ATOM 253 O CYS A 677 -5.534 -7.462 -3.929 1.00 0.00 O ATOM 254 CB CYS A 677 -3.112 -6.170 -5.155 1.00 0.00 C ATOM 255 SG CYS A 677 -2.760 -4.952 -3.868 1.00 0.00 S ATOM 0 H CYS A 677 -4.848 -4.061 -5.761 1.00 0.00 H new ATOM 0 HA CYS A 677 -4.687 -6.944 -6.402 1.00 0.00 H new ATOM 0 HB2 CYS A 677 -2.899 -7.165 -4.764 1.00 0.00 H new ATOM 0 HB3 CYS A 677 -2.433 -6.004 -5.991 1.00 0.00 H new ATOM 260 N ASN A 678 -6.369 -5.396 -4.221 1.00 0.00 N ATOM 261 CA ASN A 678 -7.349 -5.528 -3.146 1.00 0.00 C ATOM 262 C ASN A 678 -6.680 -5.895 -1.823 1.00 0.00 C ATOM 263 O ASN A 678 -7.305 -6.494 -0.947 1.00 0.00 O ATOM 264 CB ASN A 678 -8.394 -6.585 -3.509 1.00 0.00 C ATOM 265 CG ASN A 678 -9.441 -6.057 -4.469 1.00 0.00 C ATOM 266 OD1 ASN A 678 -9.832 -4.891 -4.401 1.00 0.00 O ATOM 267 ND2 ASN A 678 -9.903 -6.914 -5.372 1.00 0.00 N ATOM 0 H ASN A 678 -6.387 -4.496 -4.701 1.00 0.00 H new ATOM 0 HA ASN A 678 -7.839 -4.562 -3.023 1.00 0.00 H new ATOM 0 HB2 ASN A 678 -7.896 -7.445 -3.956 1.00 0.00 H new ATOM 0 HB3 ASN A 678 -8.883 -6.936 -2.600 1.00 0.00 H new ATOM 0 HD21 ASN A 678 -10.609 -6.615 -6.044 1.00 0.00 H new ATOM 0 HD22 ASN A 678 -9.552 -7.871 -5.393 1.00 0.00 H new ATOM 274 N THR A 679 -5.407 -5.539 -1.685 1.00 0.00 N ATOM 275 CA THR A 679 -4.657 -5.840 -0.470 1.00 0.00 C ATOM 276 C THR A 679 -4.189 -4.563 0.220 1.00 0.00 C ATOM 277 O THR A 679 -4.596 -4.269 1.345 1.00 0.00 O ATOM 278 CB THR A 679 -3.454 -6.725 -0.797 1.00 0.00 C ATOM 279 OG1 THR A 679 -3.826 -7.776 -1.671 1.00 0.00 O ATOM 280 CG2 THR A 679 -2.821 -7.350 0.428 1.00 0.00 C ATOM 0 H THR A 679 -4.873 -5.042 -2.398 1.00 0.00 H new ATOM 0 HA THR A 679 -5.321 -6.372 0.211 1.00 0.00 H new ATOM 0 HB THR A 679 -2.727 -6.062 -1.265 1.00 0.00 H new ATOM 0 HG1 THR A 679 -4.283 -7.404 -2.454 1.00 0.00 H new ATOM 0 HG21 THR A 679 -1.974 -7.965 0.126 1.00 0.00 H new ATOM 0 HG22 THR A 679 -2.477 -6.564 1.101 1.00 0.00 H new ATOM 0 HG23 THR A 679 -3.556 -7.971 0.940 1.00 0.00 H new ATOM 288 N ALA A 680 -3.331 -3.808 -0.460 1.00 0.00 N ATOM 289 CA ALA A 680 -2.803 -2.561 0.085 1.00 0.00 C ATOM 290 C ALA A 680 -3.922 -1.672 0.618 1.00 0.00 C ATOM 291 O ALA A 680 -5.029 -1.662 0.079 1.00 0.00 O ATOM 292 CB ALA A 680 -1.996 -1.824 -0.975 1.00 0.00 C ATOM 0 H ALA A 680 -2.986 -4.039 -1.392 1.00 0.00 H new ATOM 0 HA ALA A 680 -2.147 -2.808 0.920 1.00 0.00 H new ATOM 0 HB1 ALA A 680 -1.608 -0.896 -0.556 1.00 0.00 H new ATOM 0 HB2 ALA A 680 -1.166 -2.450 -1.301 1.00 0.00 H new ATOM 0 HB3 ALA A 680 -2.636 -1.598 -1.828 1.00 0.00 H new ATOM 298 N ARG A 681 -3.626 -0.927 1.677 1.00 0.00 N ATOM 299 CA ARG A 681 -4.609 -0.034 2.283 1.00 0.00 C ATOM 300 C ARG A 681 -4.004 1.340 2.552 1.00 0.00 C ATOM 301 O ARG A 681 -2.838 1.451 2.928 1.00 0.00 O ATOM 302 CB ARG A 681 -5.140 -0.634 3.586 1.00 0.00 C ATOM 303 CG ARG A 681 -5.882 -1.948 3.393 1.00 0.00 C ATOM 304 CD ARG A 681 -7.231 -1.937 4.096 1.00 0.00 C ATOM 305 NE ARG A 681 -8.101 -3.012 3.625 1.00 0.00 N ATOM 306 CZ ARG A 681 -7.984 -4.282 4.005 1.00 0.00 C ATOM 307 NH1 ARG A 681 -7.034 -4.641 4.861 1.00 0.00 N ATOM 308 NH2 ARG A 681 -8.817 -5.197 3.530 1.00 0.00 N ATOM 0 H ARG A 681 -2.714 -0.923 2.134 1.00 0.00 H new ATOM 0 HA ARG A 681 -5.435 0.084 1.582 1.00 0.00 H new ATOM 0 HB2 ARG A 681 -4.306 -0.794 4.269 1.00 0.00 H new ATOM 0 HB3 ARG A 681 -5.808 0.084 4.062 1.00 0.00 H new ATOM 0 HG2 ARG A 681 -6.027 -2.132 2.328 1.00 0.00 H new ATOM 0 HG3 ARG A 681 -5.277 -2.768 3.778 1.00 0.00 H new ATOM 0 HD2 ARG A 681 -7.081 -2.037 5.171 1.00 0.00 H new ATOM 0 HD3 ARG A 681 -7.719 -0.976 3.930 1.00 0.00 H new ATOM 0 HE ARG A 681 -8.842 -2.775 2.966 1.00 0.00 H new ATOM 0 HH11 ARG A 681 -6.390 -3.942 5.230 1.00 0.00 H new ATOM 0 HH12 ARG A 681 -6.949 -5.616 5.149 1.00 0.00 H new ATOM 0 HH21 ARG A 681 -9.549 -4.928 2.872 1.00 0.00 H new ATOM 0 HH22 ARG A 681 -8.726 -6.170 3.822 1.00 0.00 H new ATOM 322 N TYR A 682 -4.803 2.385 2.359 1.00 0.00 N ATOM 323 CA TYR A 682 -4.344 3.750 2.583 1.00 0.00 C ATOM 324 C TYR A 682 -5.497 4.643 3.029 1.00 0.00 C ATOM 325 O TYR A 682 -6.660 4.241 2.992 1.00 0.00 O ATOM 326 CB TYR A 682 -3.705 4.308 1.310 1.00 0.00 C ATOM 327 CG TYR A 682 -2.528 3.495 0.823 1.00 0.00 C ATOM 328 CD1 TYR A 682 -1.244 3.748 1.289 1.00 0.00 C ATOM 329 CD2 TYR A 682 -2.700 2.472 -0.101 1.00 0.00 C ATOM 330 CE1 TYR A 682 -0.166 3.004 0.849 1.00 0.00 C ATOM 331 CE2 TYR A 682 -1.626 1.724 -0.546 1.00 0.00 C ATOM 332 CZ TYR A 682 -0.361 1.995 -0.068 1.00 0.00 C ATOM 333 OH TYR A 682 0.709 1.252 -0.509 1.00 0.00 O ATOM 0 H TYR A 682 -5.772 2.312 2.048 1.00 0.00 H new ATOM 0 HA TYR A 682 -3.597 3.734 3.376 1.00 0.00 H new ATOM 0 HB2 TYR A 682 -4.458 4.351 0.523 1.00 0.00 H new ATOM 0 HB3 TYR A 682 -3.379 5.331 1.495 1.00 0.00 H new ATOM 0 HD1 TYR A 682 -1.086 4.539 2.007 1.00 0.00 H new ATOM 0 HD2 TYR A 682 -3.689 2.258 -0.478 1.00 0.00 H new ATOM 0 HE1 TYR A 682 0.826 3.213 1.223 1.00 0.00 H new ATOM 0 HE2 TYR A 682 -1.777 0.932 -1.264 1.00 0.00 H new ATOM 0 HH TYR A 682 0.398 0.581 -1.152 1.00 0.00 H new ATOM 343 N CYS A 683 -5.161 5.856 3.458 1.00 0.00 N ATOM 344 CA CYS A 683 -6.164 6.810 3.921 1.00 0.00 C ATOM 345 C CYS A 683 -6.532 7.818 2.833 1.00 0.00 C ATOM 346 O CYS A 683 -7.541 8.514 2.943 1.00 0.00 O ATOM 347 CB CYS A 683 -5.657 7.548 5.161 1.00 0.00 C ATOM 348 SG CYS A 683 -4.243 8.627 4.847 1.00 0.00 S ATOM 0 H CYS A 683 -4.202 6.202 3.495 1.00 0.00 H new ATOM 0 HA CYS A 683 -7.062 6.246 4.173 1.00 0.00 H new ATOM 0 HB2 CYS A 683 -6.471 8.144 5.575 1.00 0.00 H new ATOM 0 HB3 CYS A 683 -5.381 6.816 5.919 1.00 0.00 H new ATOM 353 N GLY A 684 -5.713 7.905 1.786 1.00 0.00 N ATOM 354 CA GLY A 684 -5.991 8.845 0.715 1.00 0.00 C ATOM 355 C GLY A 684 -5.287 8.496 -0.583 1.00 0.00 C ATOM 356 O GLY A 684 -4.516 7.538 -0.643 1.00 0.00 O ATOM 0 H GLY A 684 -4.869 7.346 1.662 1.00 0.00 H new ATOM 0 HA2 GLY A 684 -7.066 8.879 0.540 1.00 0.00 H new ATOM 0 HA3 GLY A 684 -5.687 9.844 1.029 1.00 0.00 H new ATOM 360 N SER A 685 -5.559 9.279 -1.624 1.00 0.00 N ATOM 361 CA SER A 685 -4.955 9.057 -2.933 1.00 0.00 C ATOM 362 C SER A 685 -3.457 9.345 -2.908 1.00 0.00 C ATOM 363 O SER A 685 -2.670 8.633 -3.531 1.00 0.00 O ATOM 364 CB SER A 685 -5.636 9.934 -3.985 1.00 0.00 C ATOM 365 OG SER A 685 -5.296 11.299 -3.809 1.00 0.00 O ATOM 0 H SER A 685 -6.196 10.075 -1.585 1.00 0.00 H new ATOM 0 HA SER A 685 -5.096 8.008 -3.192 1.00 0.00 H new ATOM 0 HB2 SER A 685 -5.340 9.608 -4.982 1.00 0.00 H new ATOM 0 HB3 SER A 685 -6.717 9.814 -3.919 1.00 0.00 H new ATOM 0 HG SER A 685 -5.742 11.838 -4.495 1.00 0.00 H new ATOM 371 N PHE A 686 -3.068 10.393 -2.187 1.00 0.00 N ATOM 372 CA PHE A 686 -1.661 10.766 -2.088 1.00 0.00 C ATOM 373 C PHE A 686 -0.850 9.635 -1.468 1.00 0.00 C ATOM 374 O PHE A 686 0.217 9.276 -1.965 1.00 0.00 O ATOM 375 CB PHE A 686 -1.502 12.046 -1.263 1.00 0.00 C ATOM 376 CG PHE A 686 -1.941 11.901 0.166 1.00 0.00 C ATOM 377 CD1 PHE A 686 -3.278 12.024 0.511 1.00 0.00 C ATOM 378 CD2 PHE A 686 -1.017 11.646 1.166 1.00 0.00 C ATOM 379 CE1 PHE A 686 -3.684 11.894 1.825 1.00 0.00 C ATOM 380 CE2 PHE A 686 -1.416 11.515 2.483 1.00 0.00 C ATOM 381 CZ PHE A 686 -2.752 11.639 2.812 1.00 0.00 C ATOM 0 H PHE A 686 -3.704 10.996 -1.665 1.00 0.00 H new ATOM 0 HA PHE A 686 -1.285 10.952 -3.094 1.00 0.00 H new ATOM 0 HB2 PHE A 686 -0.456 12.353 -1.283 1.00 0.00 H new ATOM 0 HB3 PHE A 686 -2.078 12.844 -1.732 1.00 0.00 H new ATOM 0 HD1 PHE A 686 -4.011 12.224 -0.257 1.00 0.00 H new ATOM 0 HD2 PHE A 686 0.029 11.548 0.913 1.00 0.00 H new ATOM 0 HE1 PHE A 686 -4.729 11.992 2.080 1.00 0.00 H new ATOM 0 HE2 PHE A 686 -0.685 11.316 3.253 1.00 0.00 H new ATOM 0 HZ PHE A 686 -3.067 11.537 3.840 1.00 0.00 H new ATOM 391 N CYS A 687 -1.367 9.075 -0.380 1.00 0.00 N ATOM 392 CA CYS A 687 -0.697 7.979 0.310 1.00 0.00 C ATOM 393 C CYS A 687 -0.475 6.802 -0.634 1.00 0.00 C ATOM 394 O CYS A 687 0.545 6.119 -0.563 1.00 0.00 O ATOM 395 CB CYS A 687 -1.517 7.530 1.520 1.00 0.00 C ATOM 396 SG CYS A 687 -1.123 8.420 3.042 1.00 0.00 S ATOM 0 H CYS A 687 -2.249 9.363 0.044 1.00 0.00 H new ATOM 0 HA CYS A 687 0.273 8.337 0.653 1.00 0.00 H new ATOM 0 HB2 CYS A 687 -2.576 7.661 1.298 1.00 0.00 H new ATOM 0 HB3 CYS A 687 -1.355 6.464 1.681 1.00 0.00 H new ATOM 401 N GLN A 688 -1.434 6.574 -1.523 1.00 0.00 N ATOM 402 CA GLN A 688 -1.334 5.488 -2.487 1.00 0.00 C ATOM 403 C GLN A 688 -0.239 5.781 -3.506 1.00 0.00 C ATOM 404 O GLN A 688 0.468 4.876 -3.950 1.00 0.00 O ATOM 405 CB GLN A 688 -2.671 5.286 -3.203 1.00 0.00 C ATOM 406 CG GLN A 688 -3.787 4.809 -2.288 1.00 0.00 C ATOM 407 CD GLN A 688 -5.145 4.838 -2.962 1.00 0.00 C ATOM 408 OE1 GLN A 688 -5.777 5.890 -3.068 1.00 0.00 O ATOM 409 NE2 GLN A 688 -5.603 3.679 -3.421 1.00 0.00 N ATOM 0 H GLN A 688 -2.288 7.126 -1.596 1.00 0.00 H new ATOM 0 HA GLN A 688 -1.080 4.574 -1.950 1.00 0.00 H new ATOM 0 HB2 GLN A 688 -2.970 6.226 -3.667 1.00 0.00 H new ATOM 0 HB3 GLN A 688 -2.537 4.562 -4.007 1.00 0.00 H new ATOM 0 HG2 GLN A 688 -3.571 3.793 -1.957 1.00 0.00 H new ATOM 0 HG3 GLN A 688 -3.814 5.436 -1.397 1.00 0.00 H new ATOM 0 HE21 GLN A 688 -5.046 2.831 -3.312 1.00 0.00 H new ATOM 0 HE22 GLN A 688 -6.512 3.636 -3.883 1.00 0.00 H new ATOM 418 N HIS A 689 -0.105 7.053 -3.876 1.00 0.00 N ATOM 419 CA HIS A 689 0.902 7.470 -4.846 1.00 0.00 C ATOM 420 C HIS A 689 2.307 7.412 -4.250 1.00 0.00 C ATOM 421 O HIS A 689 3.249 6.968 -4.906 1.00 0.00 O ATOM 422 CB HIS A 689 0.602 8.889 -5.338 1.00 0.00 C ATOM 423 CG HIS A 689 -0.029 8.929 -6.695 1.00 0.00 C ATOM 424 ND1 HIS A 689 -0.648 10.051 -7.205 1.00 0.00 N ATOM 425 CD2 HIS A 689 -0.134 7.977 -7.653 1.00 0.00 C ATOM 426 CE1 HIS A 689 -1.108 9.788 -8.415 1.00 0.00 C ATOM 427 NE2 HIS A 689 -0.809 8.536 -8.710 1.00 0.00 N ATOM 0 H HIS A 689 -0.683 7.813 -3.517 1.00 0.00 H new ATOM 0 HA HIS A 689 0.863 6.779 -5.688 1.00 0.00 H new ATOM 0 HB2 HIS A 689 -0.059 9.381 -4.624 1.00 0.00 H new ATOM 0 HB3 HIS A 689 1.529 9.461 -5.360 1.00 0.00 H new ATOM 0 HD2 HIS A 689 0.243 6.967 -7.596 1.00 0.00 H new ATOM 0 HE1 HIS A 689 -1.638 10.479 -9.054 1.00 0.00 H new ATOM 0 HE2 HIS A 689 -1.042 8.061 -9.582 1.00 0.00 H new ATOM 436 N LYS A 690 2.444 7.863 -3.006 1.00 0.00 N ATOM 437 CA LYS A 690 3.739 7.860 -2.334 1.00 0.00 C ATOM 438 C LYS A 690 4.232 6.432 -2.123 1.00 0.00 C ATOM 439 O LYS A 690 5.421 6.146 -2.263 1.00 0.00 O ATOM 440 CB LYS A 690 3.649 8.595 -0.994 1.00 0.00 C ATOM 441 CG LYS A 690 2.836 7.859 0.056 1.00 0.00 C ATOM 442 CD LYS A 690 2.827 8.607 1.380 1.00 0.00 C ATOM 443 CE LYS A 690 2.214 9.990 1.236 1.00 0.00 C ATOM 444 NZ LYS A 690 3.239 11.022 0.913 1.00 0.00 N ATOM 0 H LYS A 690 1.677 8.234 -2.445 1.00 0.00 H new ATOM 0 HA LYS A 690 4.455 8.382 -2.969 1.00 0.00 H new ATOM 0 HB2 LYS A 690 4.657 8.758 -0.611 1.00 0.00 H new ATOM 0 HB3 LYS A 690 3.208 9.578 -1.158 1.00 0.00 H new ATOM 0 HG2 LYS A 690 1.813 7.732 -0.298 1.00 0.00 H new ATOM 0 HG3 LYS A 690 3.249 6.861 0.204 1.00 0.00 H new ATOM 0 HD2 LYS A 690 2.266 8.034 2.118 1.00 0.00 H new ATOM 0 HD3 LYS A 690 3.847 8.697 1.755 1.00 0.00 H new ATOM 0 HE2 LYS A 690 1.458 9.972 0.451 1.00 0.00 H new ATOM 0 HE3 LYS A 690 1.706 10.260 2.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 690 3.297 11.709 1.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 690 4.164 10.564 0.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 690 2.972 11.514 0.036 1.00 0.00 H new ATOM 458 N ASP A 691 3.307 5.539 -1.789 1.00 0.00 N ATOM 459 CA ASP A 691 3.641 4.137 -1.565 1.00 0.00 C ATOM 460 C ASP A 691 3.563 3.342 -2.866 1.00 0.00 C ATOM 461 O ASP A 691 4.106 2.242 -2.966 1.00 0.00 O ATOM 462 CB ASP A 691 2.705 3.526 -0.521 1.00 0.00 C ATOM 463 CG ASP A 691 3.241 3.671 0.890 1.00 0.00 C ATOM 464 OD1 ASP A 691 3.885 4.702 1.177 1.00 0.00 O ATOM 465 OD2 ASP A 691 3.017 2.754 1.707 1.00 0.00 O ATOM 0 H ASP A 691 2.319 5.761 -1.667 1.00 0.00 H new ATOM 0 HA ASP A 691 4.665 4.090 -1.194 1.00 0.00 H new ATOM 0 HB2 ASP A 691 1.729 4.006 -0.587 1.00 0.00 H new ATOM 0 HB3 ASP A 691 2.557 2.469 -0.744 1.00 0.00 H new ATOM 470 N TRP A 692 2.873 3.901 -3.859 1.00 0.00 N ATOM 471 CA TRP A 692 2.706 3.248 -5.153 1.00 0.00 C ATOM 472 C TRP A 692 4.050 2.828 -5.749 1.00 0.00 C ATOM 473 O TRP A 692 4.182 1.715 -6.259 1.00 0.00 O ATOM 474 CB TRP A 692 1.955 4.193 -6.105 1.00 0.00 C ATOM 475 CG TRP A 692 2.311 4.041 -7.556 1.00 0.00 C ATOM 476 CD1 TRP A 692 2.660 5.044 -8.409 1.00 0.00 C ATOM 477 CD2 TRP A 692 2.351 2.830 -8.321 1.00 0.00 C ATOM 478 NE1 TRP A 692 2.915 4.538 -9.658 1.00 0.00 N ATOM 479 CE2 TRP A 692 2.734 3.179 -9.633 1.00 0.00 C ATOM 480 CE3 TRP A 692 2.103 1.486 -8.027 1.00 0.00 C ATOM 481 CZ2 TRP A 692 2.872 2.233 -10.645 1.00 0.00 C ATOM 482 CZ3 TRP A 692 2.241 0.549 -9.034 1.00 0.00 C ATOM 483 CH2 TRP A 692 2.623 0.926 -10.328 1.00 0.00 C ATOM 0 H TRP A 692 2.418 4.811 -3.789 1.00 0.00 H new ATOM 0 HA TRP A 692 2.123 2.338 -5.012 1.00 0.00 H new ATOM 0 HB2 TRP A 692 0.884 4.026 -5.989 1.00 0.00 H new ATOM 0 HB3 TRP A 692 2.152 5.222 -5.803 1.00 0.00 H new ATOM 0 HD1 TRP A 692 2.726 6.088 -8.140 1.00 0.00 H new ATOM 0 HE1 TRP A 692 3.194 5.084 -10.473 1.00 0.00 H new ATOM 0 HE3 TRP A 692 1.809 1.185 -7.032 1.00 0.00 H new ATOM 0 HZ2 TRP A 692 3.165 2.521 -11.644 1.00 0.00 H new ATOM 0 HZ3 TRP A 692 2.051 -0.492 -8.819 1.00 0.00 H new ATOM 0 HH2 TRP A 692 2.723 0.169 -11.091 1.00 0.00 H new ATOM 494 N GLU A 693 5.045 3.708 -5.689 1.00 0.00 N ATOM 495 CA GLU A 693 6.358 3.386 -6.236 1.00 0.00 C ATOM 496 C GLU A 693 6.910 2.117 -5.593 1.00 0.00 C ATOM 497 O GLU A 693 7.361 1.203 -6.282 1.00 0.00 O ATOM 498 CB GLU A 693 7.327 4.552 -6.019 1.00 0.00 C ATOM 499 CG GLU A 693 8.088 4.951 -7.272 1.00 0.00 C ATOM 500 CD GLU A 693 9.190 5.954 -6.991 1.00 0.00 C ATOM 501 OE1 GLU A 693 10.040 5.672 -6.120 1.00 0.00 O ATOM 502 OE2 GLU A 693 9.203 7.020 -7.641 1.00 0.00 O ATOM 0 H GLU A 693 4.970 4.636 -5.273 1.00 0.00 H new ATOM 0 HA GLU A 693 6.251 3.214 -7.307 1.00 0.00 H new ATOM 0 HB2 GLU A 693 6.769 5.414 -5.653 1.00 0.00 H new ATOM 0 HB3 GLU A 693 8.041 4.280 -5.241 1.00 0.00 H new ATOM 0 HG2 GLU A 693 8.520 4.061 -7.729 1.00 0.00 H new ATOM 0 HG3 GLU A 693 7.392 5.375 -7.996 1.00 0.00 H new ATOM 509 N LYS A 694 6.836 2.052 -4.269 1.00 0.00 N ATOM 510 CA LYS A 694 7.292 0.881 -3.531 1.00 0.00 C ATOM 511 C LYS A 694 6.343 -0.291 -3.757 1.00 0.00 C ATOM 512 O LYS A 694 6.760 -1.447 -3.809 1.00 0.00 O ATOM 513 CB LYS A 694 7.390 1.196 -2.038 1.00 0.00 C ATOM 514 CG LYS A 694 8.721 1.805 -1.630 1.00 0.00 C ATOM 515 CD LYS A 694 8.719 2.224 -0.169 1.00 0.00 C ATOM 516 CE LYS A 694 10.117 2.180 0.425 1.00 0.00 C ATOM 517 NZ LYS A 694 10.325 3.254 1.436 1.00 0.00 N ATOM 0 H LYS A 694 6.463 2.799 -3.683 1.00 0.00 H new ATOM 0 HA LYS A 694 8.282 0.607 -3.897 1.00 0.00 H new ATOM 0 HB2 LYS A 694 6.588 1.882 -1.767 1.00 0.00 H new ATOM 0 HB3 LYS A 694 7.231 0.279 -1.471 1.00 0.00 H new ATOM 0 HG2 LYS A 694 9.520 1.083 -1.801 1.00 0.00 H new ATOM 0 HG3 LYS A 694 8.933 2.671 -2.257 1.00 0.00 H new ATOM 0 HD2 LYS A 694 8.316 3.233 -0.079 1.00 0.00 H new ATOM 0 HD3 LYS A 694 8.061 1.566 0.398 1.00 0.00 H new ATOM 0 HE2 LYS A 694 10.284 1.208 0.889 1.00 0.00 H new ATOM 0 HE3 LYS A 694 10.853 2.284 -0.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 694 11.290 3.190 1.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 694 10.191 4.183 0.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 694 9.639 3.140 2.209 1.00 0.00 H new ATOM 531 N HIS A 695 5.056 0.025 -3.862 1.00 0.00 N ATOM 532 CA HIS A 695 4.020 -0.983 -4.051 1.00 0.00 C ATOM 533 C HIS A 695 4.226 -1.806 -5.320 1.00 0.00 C ATOM 534 O HIS A 695 3.851 -2.978 -5.368 1.00 0.00 O ATOM 535 CB HIS A 695 2.645 -0.318 -4.085 1.00 0.00 C ATOM 536 CG HIS A 695 1.518 -1.262 -3.809 1.00 0.00 C ATOM 537 ND1 HIS A 695 1.623 -2.362 -2.987 1.00 0.00 N ATOM 538 CD2 HIS A 695 0.242 -1.257 -4.267 1.00 0.00 C ATOM 539 CE1 HIS A 695 0.434 -2.978 -2.973 1.00 0.00 C ATOM 540 NE2 HIS A 695 -0.439 -2.347 -3.734 1.00 0.00 N ATOM 0 H HIS A 695 4.704 0.981 -3.819 1.00 0.00 H new ATOM 0 HA HIS A 695 4.083 -1.669 -3.206 1.00 0.00 H new ATOM 0 HB2 HIS A 695 2.622 0.487 -3.351 1.00 0.00 H new ATOM 0 HB3 HIS A 695 2.495 0.138 -5.064 1.00 0.00 H new ATOM 0 HD1 HIS A 695 2.458 -2.655 -2.479 1.00 0.00 H new ATOM 0 HD2 HIS A 695 -0.179 -0.524 -4.939 1.00 0.00 H new ATOM 0 HE1 HIS A 695 0.218 -3.875 -2.412 1.00 0.00 H new ATOM 548 N HIS A 696 4.806 -1.199 -6.351 1.00 0.00 N ATOM 549 CA HIS A 696 5.029 -1.904 -7.610 1.00 0.00 C ATOM 550 C HIS A 696 6.028 -3.050 -7.452 1.00 0.00 C ATOM 551 O HIS A 696 6.186 -3.870 -8.357 1.00 0.00 O ATOM 552 CB HIS A 696 5.490 -0.934 -8.709 1.00 0.00 C ATOM 553 CG HIS A 696 6.880 -0.387 -8.536 1.00 0.00 C ATOM 554 ND1 HIS A 696 8.015 -0.946 -8.046 1.00 0.00 N flip ATOM 555 CD2 HIS A 696 7.227 0.893 -8.923 1.00 0.00 C flip ATOM 556 CE1 HIS A 696 9.010 -0.004 -8.147 1.00 0.00 C flip ATOM 557 NE2 HIS A 696 8.509 1.095 -8.681 1.00 0.00 N flip ATOM 0 H HIS A 696 5.127 -0.231 -6.341 1.00 0.00 H new ATOM 0 HA HIS A 696 4.075 -2.338 -7.908 1.00 0.00 H new ATOM 0 HB2 HIS A 696 5.435 -1.446 -9.670 1.00 0.00 H new ATOM 0 HB3 HIS A 696 4.791 -0.099 -8.752 1.00 0.00 H new ATOM 0 HD2 HIS A 696 6.553 1.617 -9.357 1.00 0.00 H new ATOM 0 HE1 HIS A 696 10.036 -0.140 -7.839 1.00 0.00 H new ATOM 0 HE2 HIS A 696 9.025 1.954 -8.874 1.00 0.00 H new ATOM 566 N HIS A 697 6.689 -3.119 -6.298 1.00 0.00 N ATOM 567 CA HIS A 697 7.652 -4.182 -6.035 1.00 0.00 C ATOM 568 C HIS A 697 6.939 -5.503 -5.753 1.00 0.00 C ATOM 569 O HIS A 697 7.470 -6.577 -6.036 1.00 0.00 O ATOM 570 CB HIS A 697 8.548 -3.812 -4.852 1.00 0.00 C ATOM 571 CG HIS A 697 9.718 -2.958 -5.232 1.00 0.00 C ATOM 572 ND1 HIS A 697 10.786 -3.428 -5.965 1.00 0.00 N ATOM 573 CD2 HIS A 697 9.985 -1.656 -4.974 1.00 0.00 C ATOM 574 CE1 HIS A 697 11.659 -2.453 -6.143 1.00 0.00 C ATOM 575 NE2 HIS A 697 11.197 -1.367 -5.552 1.00 0.00 N ATOM 0 H HIS A 697 6.575 -2.453 -5.534 1.00 0.00 H new ATOM 0 HA HIS A 697 8.271 -4.303 -6.924 1.00 0.00 H new ATOM 0 HB2 HIS A 697 7.952 -3.287 -4.106 1.00 0.00 H new ATOM 0 HB3 HIS A 697 8.913 -4.726 -4.383 1.00 0.00 H new ATOM 0 HD2 HIS A 697 9.361 -0.972 -4.417 1.00 0.00 H new ATOM 0 HE1 HIS A 697 12.592 -2.531 -6.681 1.00 0.00 H new ATOM 0 HE2 HIS A 697 11.664 -0.461 -5.528 1.00 0.00 H new ATOM 584 N ILE A 698 5.739 -5.416 -5.183 1.00 0.00 N ATOM 585 CA ILE A 698 4.965 -6.608 -4.852 1.00 0.00 C ATOM 586 C ILE A 698 3.577 -6.590 -5.491 1.00 0.00 C ATOM 587 O ILE A 698 2.794 -7.521 -5.304 1.00 0.00 O ATOM 588 CB ILE A 698 4.807 -6.766 -3.327 1.00 0.00 C ATOM 589 CG1 ILE A 698 4.060 -5.568 -2.739 1.00 0.00 C ATOM 590 CG2 ILE A 698 6.168 -6.925 -2.666 1.00 0.00 C ATOM 591 CD1 ILE A 698 2.571 -5.798 -2.590 1.00 0.00 C ATOM 0 H ILE A 698 5.284 -4.536 -4.942 1.00 0.00 H new ATOM 0 HA ILE A 698 5.524 -7.453 -5.253 1.00 0.00 H new ATOM 0 HB ILE A 698 4.222 -7.665 -3.131 1.00 0.00 H new ATOM 0 HG12 ILE A 698 4.482 -5.330 -1.763 1.00 0.00 H new ATOM 0 HG13 ILE A 698 4.223 -4.699 -3.377 1.00 0.00 H new ATOM 0 HG21 ILE A 698 6.039 -7.035 -1.589 1.00 0.00 H new ATOM 0 HG22 ILE A 698 6.665 -7.810 -3.064 1.00 0.00 H new ATOM 0 HG23 ILE A 698 6.777 -6.044 -2.870 1.00 0.00 H new ATOM 0 HD11 ILE A 698 2.106 -4.907 -2.167 1.00 0.00 H new ATOM 0 HD12 ILE A 698 2.135 -6.006 -3.567 1.00 0.00 H new ATOM 0 HD13 ILE A 698 2.398 -6.646 -1.928 1.00 0.00 H new ATOM 603 N CYS A 699 3.267 -5.535 -6.239 1.00 0.00 N ATOM 604 CA CYS A 699 1.966 -5.421 -6.890 1.00 0.00 C ATOM 605 C CYS A 699 2.077 -5.698 -8.385 1.00 0.00 C ATOM 606 O CYS A 699 3.161 -5.614 -8.963 1.00 0.00 O ATOM 607 CB CYS A 699 1.374 -4.028 -6.660 1.00 0.00 C ATOM 608 SG CYS A 699 -0.418 -3.940 -6.896 1.00 0.00 S ATOM 0 H CYS A 699 3.896 -4.750 -6.409 1.00 0.00 H new ATOM 0 HA CYS A 699 1.304 -6.166 -6.449 1.00 0.00 H new ATOM 0 HB2 CYS A 699 1.613 -3.706 -5.646 1.00 0.00 H new ATOM 0 HB3 CYS A 699 1.854 -3.324 -7.339 1.00 0.00 H new ATOM 613 N GLY A 700 0.950 -6.032 -9.004 1.00 0.00 N ATOM 614 CA GLY A 700 0.943 -6.320 -10.427 1.00 0.00 C ATOM 615 C GLY A 700 1.673 -7.606 -10.761 1.00 0.00 C ATOM 616 O GLY A 700 2.204 -7.758 -11.861 1.00 0.00 O ATOM 0 H GLY A 700 0.042 -6.109 -8.547 1.00 0.00 H new ATOM 0 HA2 GLY A 700 -0.087 -6.390 -10.776 1.00 0.00 H new ATOM 0 HA3 GLY A 700 1.406 -5.493 -10.964 1.00 0.00 H new ATOM 620 N GLN A 701 1.702 -8.532 -9.808 1.00 0.00 N ATOM 621 CA GLN A 701 2.373 -9.812 -10.005 1.00 0.00 C ATOM 622 C GLN A 701 1.368 -10.908 -10.345 1.00 0.00 C ATOM 623 O GLN A 701 0.522 -11.264 -9.524 1.00 0.00 O ATOM 624 CB GLN A 701 3.160 -10.197 -8.751 1.00 0.00 C ATOM 625 CG GLN A 701 4.530 -9.545 -8.668 1.00 0.00 C ATOM 626 CD GLN A 701 5.388 -10.130 -7.563 1.00 0.00 C ATOM 627 OE1 GLN A 701 5.169 -11.258 -7.123 1.00 0.00 O ATOM 628 NE2 GLN A 701 6.370 -9.362 -7.107 1.00 0.00 N ATOM 0 H GLN A 701 1.269 -8.420 -8.891 1.00 0.00 H new ATOM 0 HA GLN A 701 3.064 -9.706 -10.841 1.00 0.00 H new ATOM 0 HB2 GLN A 701 2.581 -9.920 -7.870 1.00 0.00 H new ATOM 0 HB3 GLN A 701 3.280 -11.280 -8.726 1.00 0.00 H new ATOM 0 HG2 GLN A 701 5.043 -9.663 -9.622 1.00 0.00 H new ATOM 0 HG3 GLN A 701 4.409 -8.475 -8.501 1.00 0.00 H new ATOM 0 HE21 GLN A 701 6.516 -8.433 -7.501 1.00 0.00 H new ATOM 0 HE22 GLN A 701 6.979 -9.701 -6.362 1.00 0.00 H new ATOM 637 N THR A 702 1.467 -11.439 -11.558 1.00 0.00 N ATOM 638 CA THR A 702 0.567 -12.495 -12.006 1.00 0.00 C ATOM 639 C THR A 702 1.214 -13.867 -11.840 1.00 0.00 C ATOM 640 O THR A 702 1.069 -14.740 -12.697 1.00 0.00 O ATOM 641 CB THR A 702 0.176 -12.275 -13.468 1.00 0.00 C ATOM 642 OG1 THR A 702 1.269 -12.552 -14.327 1.00 0.00 O ATOM 643 CG2 THR A 702 -0.287 -10.863 -13.757 1.00 0.00 C ATOM 0 H THR A 702 2.162 -11.156 -12.249 1.00 0.00 H new ATOM 0 HA THR A 702 -0.331 -12.460 -11.389 1.00 0.00 H new ATOM 0 HB THR A 702 -0.654 -12.958 -13.651 1.00 0.00 H new ATOM 0 HG1 THR A 702 0.998 -12.407 -15.258 1.00 0.00 H new ATOM 0 HG21 THR A 702 -0.549 -10.775 -14.811 1.00 0.00 H new ATOM 0 HG22 THR A 702 -1.160 -10.634 -13.146 1.00 0.00 H new ATOM 0 HG23 THR A 702 0.514 -10.162 -13.522 1.00 0.00 H new ATOM 651 N LEU A 703 1.929 -14.048 -10.735 1.00 0.00 N ATOM 652 CA LEU A 703 2.599 -15.313 -10.457 1.00 0.00 C ATOM 653 C LEU A 703 2.598 -15.612 -8.960 1.00 0.00 C ATOM 654 O LEU A 703 3.166 -14.860 -8.168 1.00 0.00 O ATOM 655 CB LEU A 703 4.034 -15.279 -10.986 1.00 0.00 C ATOM 656 CG LEU A 703 4.445 -16.492 -11.826 1.00 0.00 C ATOM 657 CD1 LEU A 703 5.269 -16.057 -13.027 1.00 0.00 C ATOM 658 CD2 LEU A 703 5.219 -17.490 -10.978 1.00 0.00 C ATOM 0 H LEU A 703 2.059 -13.335 -10.017 1.00 0.00 H new ATOM 0 HA LEU A 703 2.052 -16.107 -10.965 1.00 0.00 H new ATOM 0 HB2 LEU A 703 4.162 -14.379 -11.588 1.00 0.00 H new ATOM 0 HB3 LEU A 703 4.715 -15.195 -10.139 1.00 0.00 H new ATOM 0 HG LEU A 703 3.541 -16.980 -12.191 1.00 0.00 H new ATOM 0 HD11 LEU A 703 5.551 -16.933 -13.611 1.00 0.00 H new ATOM 0 HD12 LEU A 703 4.680 -15.382 -13.647 1.00 0.00 H new ATOM 0 HD13 LEU A 703 6.168 -15.544 -12.685 1.00 0.00 H new ATOM 0 HD21 LEU A 703 5.503 -18.345 -11.591 1.00 0.00 H new ATOM 0 HD22 LEU A 703 6.116 -17.013 -10.583 1.00 0.00 H new ATOM 0 HD23 LEU A 703 4.593 -17.828 -10.152 1.00 0.00 H new ATOM 670 N GLN A 704 1.957 -16.713 -8.581 1.00 0.00 N ATOM 671 CA GLN A 704 1.883 -17.110 -7.180 1.00 0.00 C ATOM 672 C GLN A 704 2.352 -18.548 -6.996 1.00 0.00 C ATOM 673 O GLN A 704 1.826 -19.282 -6.160 1.00 0.00 O ATOM 674 CB GLN A 704 0.452 -16.958 -6.661 1.00 0.00 C ATOM 675 CG GLN A 704 -0.577 -17.714 -7.487 1.00 0.00 C ATOM 676 CD GLN A 704 -1.909 -17.849 -6.776 1.00 0.00 C ATOM 677 OE1 GLN A 704 -1.965 -18.222 -5.604 1.00 0.00 O ATOM 678 NE2 GLN A 704 -2.991 -17.546 -7.484 1.00 0.00 N ATOM 0 H GLN A 704 1.482 -17.346 -9.224 1.00 0.00 H new ATOM 0 HA GLN A 704 2.542 -16.457 -6.608 1.00 0.00 H new ATOM 0 HB2 GLN A 704 0.409 -17.310 -5.630 1.00 0.00 H new ATOM 0 HB3 GLN A 704 0.189 -15.900 -6.648 1.00 0.00 H new ATOM 0 HG2 GLN A 704 -0.726 -17.198 -8.436 1.00 0.00 H new ATOM 0 HG3 GLN A 704 -0.192 -18.706 -7.721 1.00 0.00 H new ATOM 0 HE21 GLN A 704 -2.898 -17.241 -8.453 1.00 0.00 H new ATOM 0 HE22 GLN A 704 -3.915 -17.618 -7.059 1.00 0.00 H new ATOM 687 N ALA A 705 3.347 -18.946 -7.783 1.00 0.00 N ATOM 688 CA ALA A 705 3.889 -20.298 -7.707 1.00 0.00 C ATOM 689 C ALA A 705 5.011 -20.382 -6.677 1.00 0.00 C ATOM 690 O ALA A 705 5.887 -19.518 -6.627 1.00 0.00 O ATOM 691 CB ALA A 705 4.389 -20.743 -9.072 1.00 0.00 C ATOM 0 H ALA A 705 3.794 -18.351 -8.481 1.00 0.00 H new ATOM 0 HA ALA A 705 3.089 -20.967 -7.390 1.00 0.00 H new ATOM 0 HB1 ALA A 705 4.791 -21.754 -9.001 1.00 0.00 H new ATOM 0 HB2 ALA A 705 3.564 -20.730 -9.784 1.00 0.00 H new ATOM 0 HB3 ALA A 705 5.172 -20.065 -9.412 1.00 0.00 H new ATOM 697 N GLN A 706 4.977 -21.427 -5.856 1.00 0.00 N ATOM 698 CA GLN A 706 5.991 -21.624 -4.827 1.00 0.00 C ATOM 699 C GLN A 706 6.628 -23.005 -4.948 1.00 0.00 C ATOM 700 O GLN A 706 5.937 -24.023 -4.919 1.00 0.00 O ATOM 701 CB GLN A 706 5.376 -21.454 -3.437 1.00 0.00 C ATOM 702 CG GLN A 706 4.470 -20.239 -3.316 1.00 0.00 C ATOM 703 CD GLN A 706 3.990 -20.008 -1.897 1.00 0.00 C ATOM 704 OE1 GLN A 706 4.586 -19.235 -1.146 1.00 0.00 O ATOM 705 NE2 GLN A 706 2.909 -20.680 -1.521 1.00 0.00 N ATOM 0 H GLN A 706 4.258 -22.150 -5.884 1.00 0.00 H new ATOM 0 HA GLN A 706 6.767 -20.872 -4.968 1.00 0.00 H new ATOM 0 HB2 GLN A 706 4.805 -22.349 -3.190 1.00 0.00 H new ATOM 0 HB3 GLN A 706 6.177 -21.374 -2.702 1.00 0.00 H new ATOM 0 HG2 GLN A 706 5.006 -19.355 -3.663 1.00 0.00 H new ATOM 0 HG3 GLN A 706 3.608 -20.367 -3.971 1.00 0.00 H new ATOM 0 HE21 GLN A 706 2.447 -21.310 -2.176 1.00 0.00 H new ATOM 0 HE22 GLN A 706 2.541 -20.566 -0.577 1.00 0.00 H new ATOM 714 N GLN A 707 7.950 -23.031 -5.084 1.00 0.00 N ATOM 715 CA GLN A 707 8.680 -24.287 -5.210 1.00 0.00 C ATOM 716 C GLN A 707 8.220 -25.063 -6.439 1.00 0.00 C ATOM 717 O GLN A 707 9.038 -25.568 -7.210 1.00 0.00 O ATOM 718 CB GLN A 707 8.491 -25.140 -3.953 1.00 0.00 C ATOM 719 CG GLN A 707 9.373 -24.714 -2.791 1.00 0.00 C ATOM 720 CD GLN A 707 10.472 -25.716 -2.496 1.00 0.00 C ATOM 721 OE1 GLN A 707 10.328 -26.575 -1.626 1.00 0.00 O ATOM 722 NE2 GLN A 707 11.579 -25.611 -3.222 1.00 0.00 N ATOM 0 H GLN A 707 8.537 -22.197 -5.110 1.00 0.00 H new ATOM 0 HA GLN A 707 9.738 -24.053 -5.326 1.00 0.00 H new ATOM 0 HB2 GLN A 707 7.447 -25.090 -3.643 1.00 0.00 H new ATOM 0 HB3 GLN A 707 8.702 -26.182 -4.196 1.00 0.00 H new ATOM 0 HG2 GLN A 707 9.820 -23.745 -3.015 1.00 0.00 H new ATOM 0 HG3 GLN A 707 8.757 -24.583 -1.901 1.00 0.00 H new ATOM 0 HE21 GLN A 707 11.656 -24.884 -3.933 1.00 0.00 H new ATOM 0 HE22 GLN A 707 12.353 -26.258 -3.069 1.00 0.00 H new TER 731 GLN A 707 HETATM 732 ZN ZN A 901 -2.209 7.590 4.920 1.00 0.00 ZN HETATM 733 ZN ZN A 902 -1.664 -3.284 -5.068 1.00 0.00 ZN