USER MOD reduce.3.24.130724 H: found=0, std=0, add=339, rem=0, adj=10 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 USER MOD Single : A 660 SER OG : rot 180:sc= 0 USER MOD Single : A 662 SER OG : rot 47:sc= 0.252 USER MOD Single : A 665 ASN : amide:sc= 0.106 X(o=0.11,f=0) 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 180:sc= 0 USER MOD Single : A 675 SER OG : rot 180:sc= 0.0335 USER MOD Single : A 678 ASN : amide:sc=-0.00729 X(o=-0.0073,f=0) USER MOD Single : A 679 THR OG1 : rot 61:sc= 0.318 USER MOD Single : A 682 TYR OH : rot 180:sc= 0 USER MOD Single : A 685 SER OG : rot 180:sc= 0.00191 USER MOD Single : A 688 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 689 HIS : no HD1:sc= -0.531 X(o=-0.53,f=-0.29) USER MOD Single : A 690 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 694 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 696 HIS : no HD1:sc= -6.05! C(o=-6!,f=-4.6!) USER MOD Single : A 697 HIS : no HD1:sc= -0.0945 X(o=-0.094,f=0) USER MOD Single : A 701 GLN : amide:sc= -0.969 K(o=-0.97,f=-3.7!) USER MOD Single : A 702 THR OG1 : rot 180:sc= -0.326 USER MOD Single : A 704 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 706 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 707 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 658 0.292 -5.470 16.157 1.00 0.00 N ATOM 2 CA ASP A 658 -1.111 -5.835 15.996 1.00 0.00 C ATOM 3 C ASP A 658 -1.881 -4.732 15.278 1.00 0.00 C ATOM 4 O ASP A 658 -2.138 -3.670 15.845 1.00 0.00 O ATOM 5 CB ASP A 658 -1.746 -6.113 17.359 1.00 0.00 C ATOM 6 CG ASP A 658 -0.989 -7.163 18.147 1.00 0.00 C ATOM 7 OD1 ASP A 658 -1.027 -8.346 17.749 1.00 0.00 O ATOM 8 OD2 ASP A 658 -0.358 -6.803 19.163 1.00 0.00 O ATOM 0 HA ASP A 658 -1.159 -6.739 15.390 1.00 0.00 H new ATOM 0 HB2 ASP A 658 -1.784 -5.188 17.934 1.00 0.00 H new ATOM 0 HB3 ASP A 658 -2.775 -6.442 17.217 1.00 0.00 H new ATOM 13 N SER A 659 -2.248 -4.991 14.027 1.00 0.00 N ATOM 14 CA SER A 659 -2.990 -4.020 13.231 1.00 0.00 C ATOM 15 C SER A 659 -4.159 -4.686 12.512 1.00 0.00 C ATOM 16 O SER A 659 -4.334 -5.901 12.586 1.00 0.00 O ATOM 17 CB SER A 659 -2.065 -3.350 12.214 1.00 0.00 C ATOM 18 OG SER A 659 -1.574 -4.291 11.273 1.00 0.00 O ATOM 0 H SER A 659 -2.044 -5.865 13.543 1.00 0.00 H new ATOM 0 HA SER A 659 -3.387 -3.261 13.906 1.00 0.00 H new ATOM 0 HB2 SER A 659 -2.604 -2.558 11.694 1.00 0.00 H new ATOM 0 HB3 SER A 659 -1.230 -2.879 12.732 1.00 0.00 H new ATOM 0 HG SER A 659 -0.987 -3.838 10.633 1.00 0.00 H new ATOM 24 N SER A 660 -4.956 -3.880 11.818 1.00 0.00 N ATOM 25 CA SER A 660 -6.108 -4.392 11.086 1.00 0.00 C ATOM 26 C SER A 660 -6.579 -3.388 10.038 1.00 0.00 C ATOM 27 O SER A 660 -6.868 -3.753 8.899 1.00 0.00 O ATOM 28 CB SER A 660 -7.251 -4.715 12.052 1.00 0.00 C ATOM 29 OG SER A 660 -7.857 -5.954 11.730 1.00 0.00 O ATOM 0 H SER A 660 -4.825 -2.871 11.747 1.00 0.00 H new ATOM 0 HA SER A 660 -5.805 -5.306 10.575 1.00 0.00 H new ATOM 0 HB2 SER A 660 -6.870 -4.748 13.073 1.00 0.00 H new ATOM 0 HB3 SER A 660 -7.997 -3.921 12.015 1.00 0.00 H new ATOM 0 HG SER A 660 -8.582 -6.138 12.363 1.00 0.00 H new ATOM 35 N GLU A 661 -6.655 -2.120 10.431 1.00 0.00 N ATOM 36 CA GLU A 661 -7.093 -1.064 9.526 1.00 0.00 C ATOM 37 C GLU A 661 -6.242 0.191 9.702 1.00 0.00 C ATOM 38 O GLU A 661 -6.744 1.245 10.094 1.00 0.00 O ATOM 39 CB GLU A 661 -8.569 -0.738 9.766 1.00 0.00 C ATOM 40 CG GLU A 661 -9.334 -0.412 8.495 1.00 0.00 C ATOM 41 CD GLU A 661 -10.755 0.039 8.770 1.00 0.00 C ATOM 42 OE1 GLU A 661 -11.449 -0.633 9.562 1.00 0.00 O ATOM 43 OE2 GLU A 661 -11.175 1.065 8.194 1.00 0.00 O ATOM 0 H GLU A 661 -6.419 -1.799 11.370 1.00 0.00 H new ATOM 0 HA GLU A 661 -6.971 -1.420 8.503 1.00 0.00 H new ATOM 0 HB2 GLU A 661 -9.044 -1.586 10.259 1.00 0.00 H new ATOM 0 HB3 GLU A 661 -8.639 0.108 10.450 1.00 0.00 H new ATOM 0 HG2 GLU A 661 -8.807 0.371 7.949 1.00 0.00 H new ATOM 0 HG3 GLU A 661 -9.354 -1.292 7.851 1.00 0.00 H new ATOM 50 N SER A 662 -4.952 0.071 9.407 1.00 0.00 N ATOM 51 CA SER A 662 -4.030 1.195 9.531 1.00 0.00 C ATOM 52 C SER A 662 -3.369 1.506 8.193 1.00 0.00 C ATOM 53 O SER A 662 -3.121 0.605 7.391 1.00 0.00 O ATOM 54 CB SER A 662 -2.962 0.891 10.582 1.00 0.00 C ATOM 55 OG SER A 662 -2.649 2.045 11.342 1.00 0.00 O ATOM 0 H SER A 662 -4.521 -0.794 9.080 1.00 0.00 H new ATOM 0 HA SER A 662 -4.601 2.069 9.845 1.00 0.00 H new ATOM 0 HB2 SER A 662 -3.314 0.100 11.244 1.00 0.00 H new ATOM 0 HB3 SER A 662 -2.062 0.519 10.093 1.00 0.00 H new ATOM 0 HG SER A 662 -3.478 2.485 11.624 1.00 0.00 H new ATOM 61 N CYS A 663 -3.086 2.783 7.953 1.00 0.00 N ATOM 62 CA CYS A 663 -2.452 3.206 6.709 1.00 0.00 C ATOM 63 C CYS A 663 -1.008 2.716 6.642 1.00 0.00 C ATOM 64 O CYS A 663 -0.232 2.906 7.577 1.00 0.00 O ATOM 65 CB CYS A 663 -2.491 4.731 6.595 1.00 0.00 C ATOM 66 SG CYS A 663 -2.037 5.370 4.964 1.00 0.00 S ATOM 0 H CYS A 663 -3.286 3.543 8.604 1.00 0.00 H new ATOM 0 HA CYS A 663 -3.003 2.768 5.877 1.00 0.00 H new ATOM 0 HB2 CYS A 663 -3.495 5.076 6.840 1.00 0.00 H new ATOM 0 HB3 CYS A 663 -1.817 5.156 7.339 1.00 0.00 H new ATOM 71 N TRP A 664 -0.661 2.076 5.530 1.00 0.00 N ATOM 72 CA TRP A 664 0.685 1.547 5.335 1.00 0.00 C ATOM 73 C TRP A 664 1.750 2.631 5.499 1.00 0.00 C ATOM 74 O TRP A 664 2.923 2.325 5.715 1.00 0.00 O ATOM 75 CB TRP A 664 0.805 0.901 3.952 1.00 0.00 C ATOM 76 CG TRP A 664 0.041 -0.383 3.834 1.00 0.00 C ATOM 77 CD1 TRP A 664 -1.138 -0.691 4.448 1.00 0.00 C ATOM 78 CD2 TRP A 664 0.403 -1.533 3.059 1.00 0.00 C ATOM 79 NE1 TRP A 664 -1.533 -1.960 4.104 1.00 0.00 N ATOM 80 CE2 TRP A 664 -0.604 -2.499 3.251 1.00 0.00 C ATOM 81 CE3 TRP A 664 1.478 -1.839 2.220 1.00 0.00 C ATOM 82 CZ2 TRP A 664 -0.564 -3.748 2.636 1.00 0.00 C ATOM 83 CZ3 TRP A 664 1.516 -3.078 1.610 1.00 0.00 C ATOM 84 CH2 TRP A 664 0.501 -4.020 1.820 1.00 0.00 C ATOM 0 H TRP A 664 -1.295 1.911 4.748 1.00 0.00 H new ATOM 0 HA TRP A 664 0.856 0.793 6.103 1.00 0.00 H new ATOM 0 HB2 TRP A 664 0.445 1.601 3.198 1.00 0.00 H new ATOM 0 HB3 TRP A 664 1.857 0.712 3.736 1.00 0.00 H new ATOM 0 HD1 TRP A 664 -1.682 -0.032 5.109 1.00 0.00 H new ATOM 0 HE1 TRP A 664 -2.380 -2.426 4.430 1.00 0.00 H new ATOM 0 HE3 TRP A 664 2.265 -1.119 2.051 1.00 0.00 H new ATOM 0 HZ2 TRP A 664 -1.345 -4.476 2.797 1.00 0.00 H new ATOM 0 HZ3 TRP A 664 2.343 -3.324 0.960 1.00 0.00 H new ATOM 0 HH2 TRP A 664 0.560 -4.980 1.328 1.00 0.00 H new ATOM 95 N ASN A 665 1.347 3.896 5.394 1.00 0.00 N ATOM 96 CA ASN A 665 2.278 5.011 5.531 1.00 0.00 C ATOM 97 C ASN A 665 2.002 5.796 6.815 1.00 0.00 C ATOM 98 O ASN A 665 2.866 5.905 7.686 1.00 0.00 O ATOM 99 CB ASN A 665 2.171 5.930 4.307 1.00 0.00 C ATOM 100 CG ASN A 665 2.816 7.287 4.525 1.00 0.00 C ATOM 101 OD1 ASN A 665 4.040 7.417 4.506 1.00 0.00 O ATOM 102 ND2 ASN A 665 1.989 8.305 4.732 1.00 0.00 N ATOM 0 H ASN A 665 0.382 4.173 5.215 1.00 0.00 H new ATOM 0 HA ASN A 665 3.291 4.614 5.591 1.00 0.00 H new ATOM 0 HB2 ASN A 665 2.641 5.444 3.452 1.00 0.00 H new ATOM 0 HB3 ASN A 665 1.120 6.070 4.056 1.00 0.00 H new ATOM 0 HD21 ASN A 665 2.362 9.242 4.884 1.00 0.00 H new ATOM 0 HD22 ASN A 665 0.981 8.150 4.739 1.00 0.00 H new ATOM 109 N CYS A 666 0.808 6.374 6.900 1.00 0.00 N ATOM 110 CA CYS A 666 0.429 7.189 8.050 1.00 0.00 C ATOM 111 C CYS A 666 0.624 6.467 9.379 1.00 0.00 C ATOM 112 O CYS A 666 1.107 7.063 10.343 1.00 0.00 O ATOM 113 CB CYS A 666 -1.022 7.652 7.926 1.00 0.00 C ATOM 114 SG CYS A 666 -1.280 8.914 6.660 1.00 0.00 S ATOM 0 H CYS A 666 0.085 6.293 6.185 1.00 0.00 H new ATOM 0 HA CYS A 666 1.095 8.052 8.047 1.00 0.00 H new ATOM 0 HB2 CYS A 666 -1.650 6.790 7.700 1.00 0.00 H new ATOM 0 HB3 CYS A 666 -1.352 8.043 8.888 1.00 0.00 H new ATOM 119 N GLY A 667 0.247 5.194 9.444 1.00 0.00 N ATOM 120 CA GLY A 667 0.395 4.450 10.680 1.00 0.00 C ATOM 121 C GLY A 667 -0.739 4.710 11.657 1.00 0.00 C ATOM 122 O GLY A 667 -0.764 4.146 12.751 1.00 0.00 O ATOM 0 H GLY A 667 -0.156 4.668 8.668 1.00 0.00 H new ATOM 0 HA2 GLY A 667 0.439 3.384 10.455 1.00 0.00 H new ATOM 0 HA3 GLY A 667 1.342 4.716 11.149 1.00 0.00 H new ATOM 126 N ARG A 668 -1.680 5.566 11.264 1.00 0.00 N ATOM 127 CA ARG A 668 -2.817 5.896 12.115 1.00 0.00 C ATOM 128 C ARG A 668 -4.040 5.064 11.745 1.00 0.00 C ATOM 129 O ARG A 668 -4.444 4.170 12.488 1.00 0.00 O ATOM 130 CB ARG A 668 -3.145 7.388 12.010 1.00 0.00 C ATOM 131 CG ARG A 668 -3.417 8.047 13.353 1.00 0.00 C ATOM 132 CD ARG A 668 -4.886 7.949 13.737 1.00 0.00 C ATOM 133 NE ARG A 668 -5.070 7.305 15.036 1.00 0.00 N ATOM 134 CZ ARG A 668 -6.193 7.377 15.747 1.00 0.00 C ATOM 135 NH1 ARG A 668 -7.233 8.063 15.290 1.00 0.00 N ATOM 136 NH2 ARG A 668 -6.276 6.760 16.918 1.00 0.00 N ATOM 0 H ARG A 668 -1.676 6.042 10.362 1.00 0.00 H new ATOM 0 HA ARG A 668 -2.545 5.663 13.145 1.00 0.00 H new ATOM 0 HB2 ARG A 668 -2.315 7.901 11.525 1.00 0.00 H new ATOM 0 HB3 ARG A 668 -4.017 7.516 11.369 1.00 0.00 H new ATOM 0 HG2 ARG A 668 -2.807 7.573 14.122 1.00 0.00 H new ATOM 0 HG3 ARG A 668 -3.120 9.095 13.312 1.00 0.00 H new ATOM 0 HD2 ARG A 668 -5.322 8.948 13.763 1.00 0.00 H new ATOM 0 HD3 ARG A 668 -5.424 7.386 12.974 1.00 0.00 H new ATOM 0 HE ARG A 668 -4.292 6.769 15.420 1.00 0.00 H new ATOM 0 HH11 ARG A 668 -7.174 8.539 14.390 1.00 0.00 H new ATOM 0 HH12 ARG A 668 -8.091 8.115 15.839 1.00 0.00 H new ATOM 0 HH21 ARG A 668 -5.480 6.231 17.273 1.00 0.00 H new ATOM 0 HH22 ARG A 668 -7.136 6.815 17.463 1.00 0.00 H new ATOM 150 N LYS A 669 -4.625 5.366 10.593 1.00 0.00 N ATOM 151 CA LYS A 669 -5.805 4.648 10.123 1.00 0.00 C ATOM 152 C LYS A 669 -5.944 4.745 8.606 1.00 0.00 C ATOM 153 O LYS A 669 -5.573 5.751 8.000 1.00 0.00 O ATOM 154 CB LYS A 669 -7.062 5.200 10.797 1.00 0.00 C ATOM 155 CG LYS A 669 -8.284 4.311 10.626 1.00 0.00 C ATOM 156 CD LYS A 669 -8.467 3.381 11.815 1.00 0.00 C ATOM 157 CE LYS A 669 -9.515 3.911 12.781 1.00 0.00 C ATOM 158 NZ LYS A 669 -9.973 2.862 13.734 1.00 0.00 N ATOM 0 H LYS A 669 -4.302 6.103 9.966 1.00 0.00 H new ATOM 0 HA LYS A 669 -5.686 3.597 10.388 1.00 0.00 H new ATOM 0 HB2 LYS A 669 -6.865 5.333 11.861 1.00 0.00 H new ATOM 0 HB3 LYS A 669 -7.280 6.186 10.388 1.00 0.00 H new ATOM 0 HG2 LYS A 669 -9.173 4.931 10.507 1.00 0.00 H new ATOM 0 HG3 LYS A 669 -8.182 3.722 9.714 1.00 0.00 H new ATOM 0 HD2 LYS A 669 -8.762 2.392 11.463 1.00 0.00 H new ATOM 0 HD3 LYS A 669 -7.517 3.263 12.336 1.00 0.00 H new ATOM 0 HE2 LYS A 669 -9.103 4.752 13.338 1.00 0.00 H new ATOM 0 HE3 LYS A 669 -10.369 4.289 12.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 669 -10.687 3.263 14.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 669 -10.390 2.070 13.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 669 -9.163 2.519 14.289 1.00 0.00 H new ATOM 172 N ALA A 670 -6.486 3.692 8.002 1.00 0.00 N ATOM 173 CA ALA A 670 -6.683 3.653 6.557 1.00 0.00 C ATOM 174 C ALA A 670 -8.087 3.163 6.211 1.00 0.00 C ATOM 175 O ALA A 670 -8.676 2.369 6.943 1.00 0.00 O ATOM 176 CB ALA A 670 -5.635 2.764 5.903 1.00 0.00 C ATOM 0 H ALA A 670 -6.797 2.853 8.492 1.00 0.00 H new ATOM 0 HA ALA A 670 -6.572 4.666 6.171 1.00 0.00 H new ATOM 0 HB1 ALA A 670 -5.795 2.745 4.825 1.00 0.00 H new ATOM 0 HB2 ALA A 670 -4.641 3.157 6.115 1.00 0.00 H new ATOM 0 HB3 ALA A 670 -5.717 1.752 6.300 1.00 0.00 H new ATOM 182 N SER A 671 -8.621 3.649 5.094 1.00 0.00 N ATOM 183 CA SER A 671 -9.960 3.264 4.657 1.00 0.00 C ATOM 184 C SER A 671 -9.956 2.743 3.220 1.00 0.00 C ATOM 185 O SER A 671 -10.774 1.901 2.855 1.00 0.00 O ATOM 186 CB SER A 671 -10.916 4.451 4.777 1.00 0.00 C ATOM 187 OG SER A 671 -11.552 4.469 6.042 1.00 0.00 O ATOM 0 H SER A 671 -8.148 4.309 4.476 1.00 0.00 H new ATOM 0 HA SER A 671 -10.300 2.457 5.306 1.00 0.00 H new ATOM 0 HB2 SER A 671 -10.366 5.381 4.630 1.00 0.00 H new ATOM 0 HB3 SER A 671 -11.668 4.397 3.990 1.00 0.00 H new ATOM 0 HG SER A 671 -12.156 5.239 6.093 1.00 0.00 H new ATOM 193 N GLU A 672 -9.037 3.257 2.407 1.00 0.00 N ATOM 194 CA GLU A 672 -8.944 2.845 1.010 1.00 0.00 C ATOM 195 C GLU A 672 -8.068 1.606 0.856 1.00 0.00 C ATOM 196 O GLU A 672 -7.146 1.379 1.641 1.00 0.00 O ATOM 197 CB GLU A 672 -8.385 3.986 0.158 1.00 0.00 C ATOM 198 CG GLU A 672 -9.307 5.192 0.075 1.00 0.00 C ATOM 199 CD GLU A 672 -10.127 5.211 -1.201 1.00 0.00 C ATOM 200 OE1 GLU A 672 -11.044 4.373 -1.330 1.00 0.00 O ATOM 201 OE2 GLU A 672 -9.853 6.065 -2.070 1.00 0.00 O ATOM 0 H GLU A 672 -8.350 3.956 2.690 1.00 0.00 H new ATOM 0 HA GLU A 672 -9.949 2.598 0.667 1.00 0.00 H new ATOM 0 HB2 GLU A 672 -7.426 4.300 0.570 1.00 0.00 H new ATOM 0 HB3 GLU A 672 -8.193 3.616 -0.849 1.00 0.00 H new ATOM 0 HG2 GLU A 672 -9.978 5.192 0.934 1.00 0.00 H new ATOM 0 HG3 GLU A 672 -8.713 6.104 0.135 1.00 0.00 H new ATOM 208 N THR A 673 -8.371 0.806 -0.161 1.00 0.00 N ATOM 209 CA THR A 673 -7.625 -0.419 -0.430 1.00 0.00 C ATOM 210 C THR A 673 -7.241 -0.513 -1.904 1.00 0.00 C ATOM 211 O THR A 673 -8.029 -0.165 -2.783 1.00 0.00 O ATOM 212 CB THR A 673 -8.451 -1.641 -0.029 1.00 0.00 C ATOM 213 OG1 THR A 673 -9.109 -1.420 1.207 1.00 0.00 O ATOM 214 CG2 THR A 673 -7.627 -2.903 0.111 1.00 0.00 C ATOM 0 H THR A 673 -9.132 0.985 -0.816 1.00 0.00 H new ATOM 0 HA THR A 673 -6.711 -0.394 0.163 1.00 0.00 H new ATOM 0 HB THR A 673 -9.167 -1.781 -0.839 1.00 0.00 H new ATOM 0 HG1 THR A 673 -9.633 -2.213 1.445 1.00 0.00 H new ATOM 0 HG21 THR A 673 -8.275 -3.731 0.397 1.00 0.00 H new ATOM 0 HG22 THR A 673 -7.146 -3.131 -0.840 1.00 0.00 H new ATOM 0 HG23 THR A 673 -6.865 -2.757 0.877 1.00 0.00 H new ATOM 222 N CYS A 674 -6.025 -0.987 -2.169 1.00 0.00 N ATOM 223 CA CYS A 674 -5.537 -1.128 -3.538 1.00 0.00 C ATOM 224 C CYS A 674 -6.561 -1.840 -4.417 1.00 0.00 C ATOM 225 O CYS A 674 -6.954 -2.972 -4.137 1.00 0.00 O ATOM 226 CB CYS A 674 -4.215 -1.896 -3.555 1.00 0.00 C ATOM 227 SG CYS A 674 -3.413 -1.950 -5.176 1.00 0.00 S ATOM 0 H CYS A 674 -5.360 -1.280 -1.453 1.00 0.00 H new ATOM 0 HA CYS A 674 -5.376 -0.128 -3.940 1.00 0.00 H new ATOM 0 HB2 CYS A 674 -3.532 -1.439 -2.839 1.00 0.00 H new ATOM 0 HB3 CYS A 674 -4.395 -2.916 -3.217 1.00 0.00 H new ATOM 232 N SER A 675 -6.986 -1.172 -5.483 1.00 0.00 N ATOM 233 CA SER A 675 -7.959 -1.749 -6.401 1.00 0.00 C ATOM 234 C SER A 675 -7.296 -2.755 -7.341 1.00 0.00 C ATOM 235 O SER A 675 -7.975 -3.545 -7.997 1.00 0.00 O ATOM 236 CB SER A 675 -8.638 -0.645 -7.216 1.00 0.00 C ATOM 237 OG SER A 675 -7.692 0.301 -7.681 1.00 0.00 O ATOM 0 H SER A 675 -6.673 -0.234 -5.732 1.00 0.00 H new ATOM 0 HA SER A 675 -8.711 -2.273 -5.810 1.00 0.00 H new ATOM 0 HB2 SER A 675 -9.163 -1.085 -8.064 1.00 0.00 H new ATOM 0 HB3 SER A 675 -9.387 -0.144 -6.602 1.00 0.00 H new ATOM 0 HG SER A 675 -8.151 0.994 -8.200 1.00 0.00 H new ATOM 243 N GLY A 676 -5.967 -2.714 -7.409 1.00 0.00 N ATOM 244 CA GLY A 676 -5.240 -3.619 -8.280 1.00 0.00 C ATOM 245 C GLY A 676 -4.950 -4.964 -7.640 1.00 0.00 C ATOM 246 O GLY A 676 -4.895 -5.980 -8.333 1.00 0.00 O ATOM 0 H GLY A 676 -5.382 -2.070 -6.876 1.00 0.00 H new ATOM 0 HA2 GLY A 676 -5.816 -3.775 -9.192 1.00 0.00 H new ATOM 0 HA3 GLY A 676 -4.299 -3.153 -8.573 1.00 0.00 H new ATOM 250 N CYS A 677 -4.760 -4.985 -6.323 1.00 0.00 N ATOM 251 CA CYS A 677 -4.470 -6.236 -5.623 1.00 0.00 C ATOM 252 C CYS A 677 -5.429 -6.476 -4.456 1.00 0.00 C ATOM 253 O CYS A 677 -5.416 -7.549 -3.852 1.00 0.00 O ATOM 254 CB CYS A 677 -3.022 -6.248 -5.127 1.00 0.00 C ATOM 255 SG CYS A 677 -2.666 -5.030 -3.840 1.00 0.00 S ATOM 0 H CYS A 677 -4.801 -4.161 -5.724 1.00 0.00 H new ATOM 0 HA CYS A 677 -4.612 -7.047 -6.337 1.00 0.00 H new ATOM 0 HB2 CYS A 677 -2.790 -7.242 -4.744 1.00 0.00 H new ATOM 0 HB3 CYS A 677 -2.359 -6.069 -5.973 1.00 0.00 H new ATOM 260 N ASN A 678 -6.262 -5.487 -4.139 1.00 0.00 N ATOM 261 CA ASN A 678 -7.222 -5.616 -3.044 1.00 0.00 C ATOM 262 C ASN A 678 -6.524 -5.959 -1.730 1.00 0.00 C ATOM 263 O ASN A 678 -7.123 -6.564 -0.840 1.00 0.00 O ATOM 264 CB ASN A 678 -8.260 -6.688 -3.376 1.00 0.00 C ATOM 265 CG ASN A 678 -9.465 -6.122 -4.103 1.00 0.00 C ATOM 266 OD1 ASN A 678 -9.675 -6.391 -5.285 1.00 0.00 O ATOM 267 ND2 ASN A 678 -10.262 -5.329 -3.395 1.00 0.00 N ATOM 0 H ASN A 678 -6.292 -4.590 -4.623 1.00 0.00 H new ATOM 0 HA ASN A 678 -7.721 -4.655 -2.923 1.00 0.00 H new ATOM 0 HB2 ASN A 678 -7.797 -7.459 -3.992 1.00 0.00 H new ATOM 0 HB3 ASN A 678 -8.588 -7.170 -2.455 1.00 0.00 H new ATOM 0 HD21 ASN A 678 -11.087 -4.916 -3.830 1.00 0.00 H new ATOM 0 HD22 ASN A 678 -10.049 -5.133 -2.417 1.00 0.00 H new ATOM 274 N THR A 679 -5.257 -5.578 -1.615 1.00 0.00 N ATOM 275 CA THR A 679 -4.483 -5.855 -0.410 1.00 0.00 C ATOM 276 C THR A 679 -4.018 -4.564 0.257 1.00 0.00 C ATOM 277 O THR A 679 -4.397 -4.267 1.390 1.00 0.00 O ATOM 278 CB THR A 679 -3.274 -6.730 -0.745 1.00 0.00 C ATOM 279 OG1 THR A 679 -3.684 -7.924 -1.389 1.00 0.00 O ATOM 280 CG2 THR A 679 -2.462 -7.120 0.471 1.00 0.00 C ATOM 0 H THR A 679 -4.744 -5.077 -2.340 1.00 0.00 H new ATOM 0 HA THR A 679 -5.130 -6.387 0.287 1.00 0.00 H new ATOM 0 HB THR A 679 -2.649 -6.122 -1.399 1.00 0.00 H new ATOM 0 HG1 THR A 679 -4.141 -7.703 -2.227 1.00 0.00 H new ATOM 0 HG21 THR A 679 -1.620 -7.740 0.163 1.00 0.00 H new ATOM 0 HG22 THR A 679 -2.090 -6.222 0.964 1.00 0.00 H new ATOM 0 HG23 THR A 679 -3.090 -7.680 1.164 1.00 0.00 H new ATOM 288 N ALA A 680 -3.192 -3.799 -0.453 1.00 0.00 N ATOM 289 CA ALA A 680 -2.672 -2.539 0.068 1.00 0.00 C ATOM 290 C ALA A 680 -3.797 -1.654 0.596 1.00 0.00 C ATOM 291 O ALA A 680 -4.914 -1.682 0.081 1.00 0.00 O ATOM 292 CB ALA A 680 -1.880 -1.810 -1.007 1.00 0.00 C ATOM 0 H ALA A 680 -2.868 -4.031 -1.392 1.00 0.00 H new ATOM 0 HA ALA A 680 -2.007 -2.766 0.901 1.00 0.00 H new ATOM 0 HB1 ALA A 680 -1.498 -0.872 -0.604 1.00 0.00 H new ATOM 0 HB2 ALA A 680 -1.046 -2.433 -1.330 1.00 0.00 H new ATOM 0 HB3 ALA A 680 -2.528 -1.602 -1.858 1.00 0.00 H new ATOM 298 N ARG A 681 -3.494 -0.871 1.625 1.00 0.00 N ATOM 299 CA ARG A 681 -4.481 0.021 2.223 1.00 0.00 C ATOM 300 C ARG A 681 -3.890 1.405 2.462 1.00 0.00 C ATOM 301 O ARG A 681 -2.722 1.537 2.827 1.00 0.00 O ATOM 302 CB ARG A 681 -4.991 -0.563 3.542 1.00 0.00 C ATOM 303 CG ARG A 681 -6.254 -1.400 3.392 1.00 0.00 C ATOM 304 CD ARG A 681 -7.424 -0.789 4.146 1.00 0.00 C ATOM 305 NE ARG A 681 -8.495 -1.757 4.372 1.00 0.00 N ATOM 306 CZ ARG A 681 -8.389 -2.802 5.188 1.00 0.00 C ATOM 307 NH1 ARG A 681 -7.263 -3.019 5.858 1.00 0.00 N ATOM 308 NH2 ARG A 681 -9.412 -3.633 5.336 1.00 0.00 N ATOM 0 H ARG A 681 -2.573 -0.836 2.063 1.00 0.00 H new ATOM 0 HA ARG A 681 -5.315 0.118 1.528 1.00 0.00 H new ATOM 0 HB2 ARG A 681 -4.208 -1.179 3.984 1.00 0.00 H new ATOM 0 HB3 ARG A 681 -5.186 0.252 4.239 1.00 0.00 H new ATOM 0 HG2 ARG A 681 -6.508 -1.490 2.336 1.00 0.00 H new ATOM 0 HG3 ARG A 681 -6.069 -2.408 3.762 1.00 0.00 H new ATOM 0 HD2 ARG A 681 -7.076 -0.403 5.104 1.00 0.00 H new ATOM 0 HD3 ARG A 681 -7.815 0.059 3.584 1.00 0.00 H new ATOM 0 HE ARG A 681 -9.376 -1.624 3.875 1.00 0.00 H new ATOM 0 HH11 ARG A 681 -6.474 -2.383 5.748 1.00 0.00 H new ATOM 0 HH12 ARG A 681 -7.188 -3.822 6.482 1.00 0.00 H new ATOM 0 HH21 ARG A 681 -10.279 -3.470 4.824 1.00 0.00 H new ATOM 0 HH22 ARG A 681 -9.332 -4.435 5.962 1.00 0.00 H new ATOM 322 N TYR A 682 -4.703 2.436 2.256 1.00 0.00 N ATOM 323 CA TYR A 682 -4.261 3.813 2.451 1.00 0.00 C ATOM 324 C TYR A 682 -5.426 4.695 2.890 1.00 0.00 C ATOM 325 O TYR A 682 -6.588 4.297 2.806 1.00 0.00 O ATOM 326 CB TYR A 682 -3.648 4.362 1.162 1.00 0.00 C ATOM 327 CG TYR A 682 -2.581 3.468 0.570 1.00 0.00 C ATOM 328 CD1 TYR A 682 -1.277 3.501 1.046 1.00 0.00 C ATOM 329 CD2 TYR A 682 -2.879 2.592 -0.467 1.00 0.00 C ATOM 330 CE1 TYR A 682 -0.300 2.687 0.507 1.00 0.00 C ATOM 331 CE2 TYR A 682 -1.907 1.773 -1.011 1.00 0.00 C ATOM 332 CZ TYR A 682 -0.620 1.825 -0.520 1.00 0.00 C ATOM 333 OH TYR A 682 0.350 1.011 -1.060 1.00 0.00 O ATOM 0 H TYR A 682 -5.673 2.344 1.954 1.00 0.00 H new ATOM 0 HA TYR A 682 -3.504 3.820 3.235 1.00 0.00 H new ATOM 0 HB2 TYR A 682 -4.439 4.506 0.426 1.00 0.00 H new ATOM 0 HB3 TYR A 682 -3.218 5.343 1.363 1.00 0.00 H new ATOM 0 HD1 TYR A 682 -1.022 4.174 1.851 1.00 0.00 H new ATOM 0 HD2 TYR A 682 -3.886 2.550 -0.854 1.00 0.00 H new ATOM 0 HE1 TYR A 682 0.710 2.726 0.888 1.00 0.00 H new ATOM 0 HE2 TYR A 682 -2.155 1.097 -1.816 1.00 0.00 H new ATOM 0 HH TYR A 682 -0.041 0.465 -1.773 1.00 0.00 H new ATOM 343 N CYS A 683 -5.101 5.895 3.361 1.00 0.00 N ATOM 344 CA CYS A 683 -6.117 6.838 3.818 1.00 0.00 C ATOM 345 C CYS A 683 -6.485 7.837 2.721 1.00 0.00 C ATOM 346 O CYS A 683 -7.504 8.522 2.814 1.00 0.00 O ATOM 347 CB CYS A 683 -5.627 7.584 5.059 1.00 0.00 C ATOM 348 SG CYS A 683 -4.231 8.689 4.749 1.00 0.00 S ATOM 0 H CYS A 683 -4.143 6.237 3.436 1.00 0.00 H new ATOM 0 HA CYS A 683 -7.011 6.267 4.070 1.00 0.00 H new ATOM 0 HB2 CYS A 683 -6.452 8.165 5.471 1.00 0.00 H new ATOM 0 HB3 CYS A 683 -5.340 6.856 5.818 1.00 0.00 H new ATOM 353 N GLY A 684 -5.652 7.925 1.685 1.00 0.00 N ATOM 354 CA GLY A 684 -5.921 8.852 0.602 1.00 0.00 C ATOM 355 C GLY A 684 -5.173 8.506 -0.671 1.00 0.00 C ATOM 356 O GLY A 684 -4.400 7.549 -0.706 1.00 0.00 O ATOM 0 H GLY A 684 -4.801 7.373 1.578 1.00 0.00 H new ATOM 0 HA2 GLY A 684 -6.991 8.862 0.397 1.00 0.00 H new ATOM 0 HA3 GLY A 684 -5.647 9.859 0.916 1.00 0.00 H new ATOM 360 N SER A 685 -5.408 9.290 -1.720 1.00 0.00 N ATOM 361 CA SER A 685 -4.757 9.070 -3.007 1.00 0.00 C ATOM 362 C SER A 685 -3.261 9.358 -2.925 1.00 0.00 C ATOM 363 O SER A 685 -2.449 8.633 -3.501 1.00 0.00 O ATOM 364 CB SER A 685 -5.398 9.951 -4.081 1.00 0.00 C ATOM 365 OG SER A 685 -6.807 9.982 -3.942 1.00 0.00 O ATOM 0 H SER A 685 -6.046 10.085 -1.703 1.00 0.00 H new ATOM 0 HA SER A 685 -4.889 8.022 -3.275 1.00 0.00 H new ATOM 0 HB2 SER A 685 -5.000 10.963 -4.010 1.00 0.00 H new ATOM 0 HB3 SER A 685 -5.135 9.574 -5.069 1.00 0.00 H new ATOM 0 HG SER A 685 -7.192 10.553 -4.639 1.00 0.00 H new ATOM 371 N PHE A 686 -2.900 10.419 -2.210 1.00 0.00 N ATOM 372 CA PHE A 686 -1.499 10.796 -2.062 1.00 0.00 C ATOM 373 C PHE A 686 -0.709 9.682 -1.383 1.00 0.00 C ATOM 374 O PHE A 686 0.377 9.315 -1.832 1.00 0.00 O ATOM 375 CB PHE A 686 -1.374 12.097 -1.262 1.00 0.00 C ATOM 376 CG PHE A 686 -1.787 11.968 0.178 1.00 0.00 C ATOM 377 CD1 PHE A 686 -3.124 12.009 0.537 1.00 0.00 C ATOM 378 CD2 PHE A 686 -0.834 11.806 1.172 1.00 0.00 C ATOM 379 CE1 PHE A 686 -3.505 11.892 1.860 1.00 0.00 C ATOM 380 CE2 PHE A 686 -1.209 11.689 2.496 1.00 0.00 C ATOM 381 CZ PHE A 686 -2.546 11.731 2.841 1.00 0.00 C ATOM 0 H PHE A 686 -3.556 11.031 -1.725 1.00 0.00 H new ATOM 0 HA PHE A 686 -1.084 10.957 -3.057 1.00 0.00 H new ATOM 0 HB2 PHE A 686 -0.340 12.440 -1.304 1.00 0.00 H new ATOM 0 HB3 PHE A 686 -1.984 12.865 -1.738 1.00 0.00 H new ATOM 0 HD1 PHE A 686 -3.878 12.134 -0.226 1.00 0.00 H new ATOM 0 HD2 PHE A 686 0.213 11.771 0.908 1.00 0.00 H new ATOM 0 HE1 PHE A 686 -4.551 11.926 2.127 1.00 0.00 H new ATOM 0 HE2 PHE A 686 -0.457 11.565 3.261 1.00 0.00 H new ATOM 0 HZ PHE A 686 -2.841 11.638 3.876 1.00 0.00 H new ATOM 391 N CYS A 687 -1.264 9.146 -0.301 1.00 0.00 N ATOM 392 CA CYS A 687 -0.614 8.071 0.439 1.00 0.00 C ATOM 393 C CYS A 687 -0.385 6.859 -0.456 1.00 0.00 C ATOM 394 O CYS A 687 0.656 6.207 -0.381 1.00 0.00 O ATOM 395 CB CYS A 687 -1.459 7.674 1.649 1.00 0.00 C ATOM 396 SG CYS A 687 -1.067 8.599 3.149 1.00 0.00 S ATOM 0 H CYS A 687 -2.163 9.439 0.083 1.00 0.00 H new ATOM 0 HA CYS A 687 0.354 8.434 0.785 1.00 0.00 H new ATOM 0 HB2 CYS A 687 -2.512 7.820 1.408 1.00 0.00 H new ATOM 0 HB3 CYS A 687 -1.321 6.610 1.843 1.00 0.00 H new ATOM 401 N GLN A 688 -1.361 6.570 -1.309 1.00 0.00 N ATOM 402 CA GLN A 688 -1.259 5.444 -2.227 1.00 0.00 C ATOM 403 C GLN A 688 -0.221 5.729 -3.306 1.00 0.00 C ATOM 404 O GLN A 688 0.467 4.823 -3.772 1.00 0.00 O ATOM 405 CB GLN A 688 -2.618 5.157 -2.870 1.00 0.00 C ATOM 406 CG GLN A 688 -2.650 3.867 -3.674 1.00 0.00 C ATOM 407 CD GLN A 688 -3.690 3.893 -4.776 1.00 0.00 C ATOM 408 OE1 GLN A 688 -3.520 4.570 -5.790 1.00 0.00 O ATOM 409 NE2 GLN A 688 -4.776 3.154 -4.581 1.00 0.00 N ATOM 0 H GLN A 688 -2.230 7.099 -1.383 1.00 0.00 H new ATOM 0 HA GLN A 688 -0.945 4.567 -1.662 1.00 0.00 H new ATOM 0 HB2 GLN A 688 -3.377 5.108 -2.089 1.00 0.00 H new ATOM 0 HB3 GLN A 688 -2.885 5.989 -3.522 1.00 0.00 H new ATOM 0 HG2 GLN A 688 -1.667 3.691 -4.111 1.00 0.00 H new ATOM 0 HG3 GLN A 688 -2.856 3.031 -3.005 1.00 0.00 H new ATOM 0 HE21 GLN A 688 -4.875 2.608 -3.725 1.00 0.00 H new ATOM 0 HE22 GLN A 688 -5.512 3.132 -5.287 1.00 0.00 H new ATOM 418 N HIS A 689 -0.112 6.996 -3.694 1.00 0.00 N ATOM 419 CA HIS A 689 0.845 7.405 -4.715 1.00 0.00 C ATOM 420 C HIS A 689 2.272 7.351 -4.177 1.00 0.00 C ATOM 421 O HIS A 689 3.197 6.948 -4.882 1.00 0.00 O ATOM 422 CB HIS A 689 0.523 8.819 -5.208 1.00 0.00 C ATOM 423 CG HIS A 689 -0.016 8.858 -6.605 1.00 0.00 C ATOM 424 ND1 HIS A 689 -0.642 9.964 -7.140 1.00 0.00 N ATOM 425 CD2 HIS A 689 -0.018 7.918 -7.581 1.00 0.00 C ATOM 426 CE1 HIS A 689 -1.008 9.703 -8.382 1.00 0.00 C ATOM 427 NE2 HIS A 689 -0.640 8.469 -8.674 1.00 0.00 N ATOM 0 H HIS A 689 -0.676 7.758 -3.316 1.00 0.00 H new ATOM 0 HA HIS A 689 0.767 6.710 -5.551 1.00 0.00 H new ATOM 0 HB2 HIS A 689 -0.204 9.273 -4.534 1.00 0.00 H new ATOM 0 HB3 HIS A 689 1.427 9.427 -5.159 1.00 0.00 H new ATOM 0 HD2 HIS A 689 0.393 6.922 -7.512 1.00 0.00 H new ATOM 0 HE1 HIS A 689 -1.521 10.383 -9.046 1.00 0.00 H new ATOM 0 HE2 HIS A 689 -0.793 8.001 -9.567 1.00 0.00 H new ATOM 436 N LYS A 690 2.442 7.758 -2.922 1.00 0.00 N ATOM 437 CA LYS A 690 3.757 7.752 -2.290 1.00 0.00 C ATOM 438 C LYS A 690 4.265 6.325 -2.117 1.00 0.00 C ATOM 439 O LYS A 690 5.448 6.047 -2.315 1.00 0.00 O ATOM 440 CB LYS A 690 3.696 8.455 -0.932 1.00 0.00 C ATOM 441 CG LYS A 690 4.009 9.941 -1.002 1.00 0.00 C ATOM 442 CD LYS A 690 3.190 10.730 0.007 1.00 0.00 C ATOM 443 CE LYS A 690 3.029 12.180 -0.420 1.00 0.00 C ATOM 444 NZ LYS A 690 3.060 13.107 0.743 1.00 0.00 N ATOM 0 H LYS A 690 1.687 8.095 -2.324 1.00 0.00 H new ATOM 0 HA LYS A 690 4.450 8.290 -2.937 1.00 0.00 H new ATOM 0 HB2 LYS A 690 2.701 8.321 -0.507 1.00 0.00 H new ATOM 0 HB3 LYS A 690 4.400 7.975 -0.252 1.00 0.00 H new ATOM 0 HG2 LYS A 690 5.071 10.100 -0.814 1.00 0.00 H new ATOM 0 HG3 LYS A 690 3.804 10.310 -2.007 1.00 0.00 H new ATOM 0 HD2 LYS A 690 2.208 10.271 0.119 1.00 0.00 H new ATOM 0 HD3 LYS A 690 3.674 10.688 0.983 1.00 0.00 H new ATOM 0 HE2 LYS A 690 3.825 12.444 -1.116 1.00 0.00 H new ATOM 0 HE3 LYS A 690 2.086 12.299 -0.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 690 2.947 14.086 0.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 690 2.285 12.872 1.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 690 3.970 13.013 1.238 1.00 0.00 H new ATOM 458 N ASP A 691 3.360 5.424 -1.750 1.00 0.00 N ATOM 459 CA ASP A 691 3.709 4.022 -1.553 1.00 0.00 C ATOM 460 C ASP A 691 3.581 3.238 -2.858 1.00 0.00 C ATOM 461 O ASP A 691 4.132 2.148 -2.992 1.00 0.00 O ATOM 462 CB ASP A 691 2.815 3.399 -0.480 1.00 0.00 C ATOM 463 CG ASP A 691 2.893 4.141 0.840 1.00 0.00 C ATOM 464 OD1 ASP A 691 3.989 4.176 1.438 1.00 0.00 O ATOM 465 OD2 ASP A 691 1.858 4.688 1.274 1.00 0.00 O ATOM 0 H ASP A 691 2.377 5.640 -1.583 1.00 0.00 H new ATOM 0 HA ASP A 691 4.747 3.975 -1.224 1.00 0.00 H new ATOM 0 HB2 ASP A 691 1.783 3.393 -0.830 1.00 0.00 H new ATOM 0 HB3 ASP A 691 3.106 2.360 -0.327 1.00 0.00 H new ATOM 470 N TRP A 692 2.839 3.796 -3.812 1.00 0.00 N ATOM 471 CA TRP A 692 2.621 3.152 -5.104 1.00 0.00 C ATOM 472 C TRP A 692 3.939 2.753 -5.766 1.00 0.00 C ATOM 473 O TRP A 692 4.065 1.641 -6.279 1.00 0.00 O ATOM 474 CB TRP A 692 1.813 4.092 -6.011 1.00 0.00 C ATOM 475 CG TRP A 692 2.101 3.954 -7.479 1.00 0.00 C ATOM 476 CD1 TRP A 692 2.396 4.967 -8.343 1.00 0.00 C ATOM 477 CD2 TRP A 692 2.122 2.748 -8.252 1.00 0.00 C ATOM 478 NE1 TRP A 692 2.599 4.471 -9.605 1.00 0.00 N ATOM 479 CE2 TRP A 692 2.436 3.109 -9.578 1.00 0.00 C ATOM 480 CE3 TRP A 692 1.905 1.399 -7.955 1.00 0.00 C ATOM 481 CZ2 TRP A 692 2.539 2.171 -10.602 1.00 0.00 C ATOM 482 CZ3 TRP A 692 2.007 0.469 -8.973 1.00 0.00 C ATOM 483 CH2 TRP A 692 2.323 0.858 -10.282 1.00 0.00 C ATOM 0 H TRP A 692 2.376 4.699 -3.712 1.00 0.00 H new ATOM 0 HA TRP A 692 2.057 2.233 -4.943 1.00 0.00 H new ATOM 0 HB2 TRP A 692 0.751 3.910 -5.845 1.00 0.00 H new ATOM 0 HB3 TRP A 692 2.011 5.121 -5.712 1.00 0.00 H new ATOM 0 HD1 TRP A 692 2.460 6.010 -8.072 1.00 0.00 H new ATOM 0 HE1 TRP A 692 2.833 5.024 -10.429 1.00 0.00 H new ATOM 0 HE3 TRP A 692 1.662 1.089 -6.949 1.00 0.00 H new ATOM 0 HZ2 TRP A 692 2.780 2.469 -11.612 1.00 0.00 H new ATOM 0 HZ3 TRP A 692 1.840 -0.576 -8.756 1.00 0.00 H new ATOM 0 HH2 TRP A 692 2.398 0.106 -11.054 1.00 0.00 H new ATOM 494 N GLU A 693 4.920 3.652 -5.763 1.00 0.00 N ATOM 495 CA GLU A 693 6.208 3.352 -6.378 1.00 0.00 C ATOM 496 C GLU A 693 6.813 2.090 -5.768 1.00 0.00 C ATOM 497 O GLU A 693 7.239 1.185 -6.481 1.00 0.00 O ATOM 498 CB GLU A 693 7.168 4.530 -6.205 1.00 0.00 C ATOM 499 CG GLU A 693 6.835 5.720 -7.091 1.00 0.00 C ATOM 500 CD GLU A 693 7.499 7.000 -6.623 1.00 0.00 C ATOM 501 OE1 GLU A 693 7.369 7.333 -5.426 1.00 0.00 O ATOM 502 OE2 GLU A 693 8.151 7.668 -7.452 1.00 0.00 O ATOM 0 H GLU A 693 4.849 4.581 -5.348 1.00 0.00 H new ATOM 0 HA GLU A 693 6.048 3.182 -7.443 1.00 0.00 H new ATOM 0 HB2 GLU A 693 7.155 4.849 -5.163 1.00 0.00 H new ATOM 0 HB3 GLU A 693 8.182 4.197 -6.424 1.00 0.00 H new ATOM 0 HG2 GLU A 693 7.147 5.506 -8.113 1.00 0.00 H new ATOM 0 HG3 GLU A 693 5.754 5.862 -7.111 1.00 0.00 H new ATOM 509 N LYS A 694 6.809 2.022 -4.442 1.00 0.00 N ATOM 510 CA LYS A 694 7.319 0.855 -3.733 1.00 0.00 C ATOM 511 C LYS A 694 6.376 -0.329 -3.916 1.00 0.00 C ATOM 512 O LYS A 694 6.804 -1.479 -3.994 1.00 0.00 O ATOM 513 CB LYS A 694 7.489 1.165 -2.245 1.00 0.00 C ATOM 514 CG LYS A 694 8.817 1.821 -1.907 1.00 0.00 C ATOM 515 CD LYS A 694 8.684 3.333 -1.808 1.00 0.00 C ATOM 516 CE LYS A 694 9.229 4.023 -3.048 1.00 0.00 C ATOM 517 NZ LYS A 694 10.652 4.426 -2.879 1.00 0.00 N ATOM 0 H LYS A 694 6.458 2.763 -3.835 1.00 0.00 H new ATOM 0 HA LYS A 694 8.293 0.597 -4.149 1.00 0.00 H new ATOM 0 HB2 LYS A 694 6.678 1.819 -1.924 1.00 0.00 H new ATOM 0 HB3 LYS A 694 7.396 0.239 -1.677 1.00 0.00 H new ATOM 0 HG2 LYS A 694 9.189 1.425 -0.962 1.00 0.00 H new ATOM 0 HG3 LYS A 694 9.553 1.569 -2.670 1.00 0.00 H new ATOM 0 HD2 LYS A 694 7.636 3.599 -1.674 1.00 0.00 H new ATOM 0 HD3 LYS A 694 9.219 3.689 -0.927 1.00 0.00 H new ATOM 0 HE2 LYS A 694 9.140 3.354 -3.904 1.00 0.00 H new ATOM 0 HE3 LYS A 694 8.626 4.904 -3.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 694 10.986 4.893 -3.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 694 10.734 5.084 -2.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 694 11.232 3.583 -2.695 1.00 0.00 H new ATOM 531 N HIS A 695 5.083 -0.027 -3.954 1.00 0.00 N ATOM 532 CA HIS A 695 4.047 -1.044 -4.093 1.00 0.00 C ATOM 533 C HIS A 695 4.197 -1.861 -5.375 1.00 0.00 C ATOM 534 O HIS A 695 3.831 -3.035 -5.410 1.00 0.00 O ATOM 535 CB HIS A 695 2.668 -0.389 -4.056 1.00 0.00 C ATOM 536 CG HIS A 695 1.555 -1.352 -3.794 1.00 0.00 C ATOM 537 ND1 HIS A 695 1.669 -2.453 -2.974 1.00 0.00 N ATOM 538 CD2 HIS A 695 0.282 -1.364 -4.263 1.00 0.00 C ATOM 539 CE1 HIS A 695 0.489 -3.087 -2.972 1.00 0.00 C ATOM 540 NE2 HIS A 695 -0.388 -2.466 -3.738 1.00 0.00 N ATOM 0 H HIS A 695 4.724 0.926 -3.890 1.00 0.00 H new ATOM 0 HA HIS A 695 4.157 -1.733 -3.255 1.00 0.00 H new ATOM 0 HB2 HIS A 695 2.661 0.380 -3.284 1.00 0.00 H new ATOM 0 HB3 HIS A 695 2.487 0.112 -5.007 1.00 0.00 H new ATOM 0 HD1 HIS A 695 2.503 -2.735 -2.460 1.00 0.00 H new ATOM 0 HD2 HIS A 695 -0.144 -0.635 -4.936 1.00 0.00 H new ATOM 0 HE1 HIS A 695 0.282 -3.989 -2.416 1.00 0.00 H new ATOM 548 N HIS A 696 4.718 -1.243 -6.432 1.00 0.00 N ATOM 549 CA HIS A 696 4.883 -1.942 -7.704 1.00 0.00 C ATOM 550 C HIS A 696 5.892 -3.084 -7.600 1.00 0.00 C ATOM 551 O HIS A 696 6.008 -3.899 -8.515 1.00 0.00 O ATOM 552 CB HIS A 696 5.286 -0.965 -8.819 1.00 0.00 C ATOM 553 CG HIS A 696 6.677 -0.406 -8.710 1.00 0.00 C ATOM 554 ND1 HIS A 696 6.995 0.878 -9.108 1.00 0.00 N ATOM 555 CD2 HIS A 696 7.837 -0.957 -8.272 1.00 0.00 C ATOM 556 CE1 HIS A 696 8.286 1.088 -8.924 1.00 0.00 C ATOM 557 NE2 HIS A 696 8.819 -0.007 -8.417 1.00 0.00 N ATOM 0 H HIS A 696 5.030 -0.272 -6.435 1.00 0.00 H new ATOM 0 HA HIS A 696 3.917 -2.379 -7.958 1.00 0.00 H new ATOM 0 HB2 HIS A 696 5.191 -1.474 -9.778 1.00 0.00 H new ATOM 0 HB3 HIS A 696 4.578 -0.136 -8.827 1.00 0.00 H new ATOM 0 HD2 HIS A 696 7.965 -1.956 -7.882 1.00 0.00 H new ATOM 0 HE1 HIS A 696 8.816 2.002 -9.150 1.00 0.00 H new ATOM 0 HE2 HIS A 696 9.802 -0.129 -8.172 1.00 0.00 H new ATOM 566 N HIS A 697 6.610 -3.155 -6.480 1.00 0.00 N ATOM 567 CA HIS A 697 7.588 -4.216 -6.270 1.00 0.00 C ATOM 568 C HIS A 697 6.894 -5.539 -5.959 1.00 0.00 C ATOM 569 O HIS A 697 7.417 -6.611 -6.263 1.00 0.00 O ATOM 570 CB HIS A 697 8.541 -3.848 -5.132 1.00 0.00 C ATOM 571 CG HIS A 697 9.706 -3.016 -5.572 1.00 0.00 C ATOM 572 ND1 HIS A 697 10.852 -3.555 -6.117 1.00 0.00 N ATOM 573 CD2 HIS A 697 9.900 -1.676 -5.545 1.00 0.00 C ATOM 574 CE1 HIS A 697 11.700 -2.583 -6.406 1.00 0.00 C ATOM 575 NE2 HIS A 697 11.145 -1.434 -6.069 1.00 0.00 N ATOM 0 H HIS A 697 6.532 -2.492 -5.708 1.00 0.00 H new ATOM 0 HA HIS A 697 8.162 -4.332 -7.189 1.00 0.00 H new ATOM 0 HB2 HIS A 697 7.987 -3.306 -4.366 1.00 0.00 H new ATOM 0 HB3 HIS A 697 8.912 -4.763 -4.670 1.00 0.00 H new ATOM 0 HD2 HIS A 697 9.204 -0.935 -5.179 1.00 0.00 H new ATOM 0 HE1 HIS A 697 12.680 -2.708 -6.843 1.00 0.00 H new ATOM 0 HE2 HIS A 697 11.572 -0.515 -6.180 1.00 0.00 H new ATOM 584 N ILE A 698 5.718 -5.459 -5.340 1.00 0.00 N ATOM 585 CA ILE A 698 4.962 -6.654 -4.978 1.00 0.00 C ATOM 586 C ILE A 698 3.571 -6.668 -5.611 1.00 0.00 C ATOM 587 O ILE A 698 2.804 -7.610 -5.409 1.00 0.00 O ATOM 588 CB ILE A 698 4.812 -6.780 -3.449 1.00 0.00 C ATOM 589 CG1 ILE A 698 4.041 -5.583 -2.886 1.00 0.00 C ATOM 590 CG2 ILE A 698 6.178 -6.896 -2.788 1.00 0.00 C ATOM 591 CD1 ILE A 698 2.586 -5.881 -2.600 1.00 0.00 C ATOM 0 H ILE A 698 5.269 -4.581 -5.079 1.00 0.00 H new ATOM 0 HA ILE A 698 5.531 -7.501 -5.362 1.00 0.00 H new ATOM 0 HB ILE A 698 4.247 -7.686 -3.231 1.00 0.00 H new ATOM 0 HG12 ILE A 698 4.523 -5.251 -1.966 1.00 0.00 H new ATOM 0 HG13 ILE A 698 4.102 -4.757 -3.594 1.00 0.00 H new ATOM 0 HG21 ILE A 698 6.054 -6.984 -1.709 1.00 0.00 H new ATOM 0 HG22 ILE A 698 6.692 -7.779 -3.167 1.00 0.00 H new ATOM 0 HG23 ILE A 698 6.768 -6.008 -3.014 1.00 0.00 H new ATOM 0 HD11 ILE A 698 2.103 -4.988 -2.204 1.00 0.00 H new ATOM 0 HD12 ILE A 698 2.089 -6.184 -3.521 1.00 0.00 H new ATOM 0 HD13 ILE A 698 2.516 -6.686 -1.868 1.00 0.00 H new ATOM 603 N CYS A 699 3.240 -5.627 -6.371 1.00 0.00 N ATOM 604 CA CYS A 699 1.934 -5.542 -7.017 1.00 0.00 C ATOM 605 C CYS A 699 2.034 -5.878 -8.501 1.00 0.00 C ATOM 606 O CYS A 699 3.095 -5.736 -9.110 1.00 0.00 O ATOM 607 CB CYS A 699 1.340 -4.143 -6.836 1.00 0.00 C ATOM 608 SG CYS A 699 -0.462 -4.081 -6.985 1.00 0.00 S ATOM 0 H CYS A 699 3.855 -4.834 -6.554 1.00 0.00 H new ATOM 0 HA CYS A 699 1.277 -6.272 -6.544 1.00 0.00 H new ATOM 0 HB2 CYS A 699 1.626 -3.763 -5.855 1.00 0.00 H new ATOM 0 HB3 CYS A 699 1.778 -3.475 -7.577 1.00 0.00 H new ATOM 613 N GLY A 700 0.924 -6.326 -9.077 1.00 0.00 N ATOM 614 CA GLY A 700 0.905 -6.676 -10.484 1.00 0.00 C ATOM 615 C GLY A 700 0.986 -5.461 -11.387 1.00 0.00 C ATOM 616 O GLY A 700 1.463 -5.551 -12.518 1.00 0.00 O ATOM 0 H GLY A 700 0.035 -6.453 -8.593 1.00 0.00 H new ATOM 0 HA2 GLY A 700 1.741 -7.342 -10.701 1.00 0.00 H new ATOM 0 HA3 GLY A 700 -0.008 -7.228 -10.705 1.00 0.00 H new ATOM 620 N GLN A 701 0.518 -4.322 -10.887 1.00 0.00 N ATOM 621 CA GLN A 701 0.539 -3.083 -11.658 1.00 0.00 C ATOM 622 C GLN A 701 1.966 -2.711 -12.050 1.00 0.00 C ATOM 623 O GLN A 701 2.887 -2.803 -11.239 1.00 0.00 O ATOM 624 CB GLN A 701 -0.094 -1.946 -10.854 1.00 0.00 C ATOM 625 CG GLN A 701 -1.579 -2.139 -10.594 1.00 0.00 C ATOM 626 CD GLN A 701 -2.154 -1.074 -9.681 1.00 0.00 C ATOM 627 OE1 GLN A 701 -2.874 -1.378 -8.730 1.00 0.00 O ATOM 628 NE2 GLN A 701 -1.837 0.184 -9.967 1.00 0.00 N ATOM 0 H GLN A 701 0.120 -4.231 -9.952 1.00 0.00 H new ATOM 0 HA GLN A 701 -0.040 -3.241 -12.568 1.00 0.00 H new ATOM 0 HB2 GLN A 701 0.425 -1.854 -9.900 1.00 0.00 H new ATOM 0 HB3 GLN A 701 0.054 -1.008 -11.389 1.00 0.00 H new ATOM 0 HG2 GLN A 701 -2.115 -2.127 -11.543 1.00 0.00 H new ATOM 0 HG3 GLN A 701 -1.742 -3.121 -10.149 1.00 0.00 H new ATOM 0 HE21 GLN A 701 -1.237 0.390 -10.766 1.00 0.00 H new ATOM 0 HE22 GLN A 701 -2.194 0.944 -9.388 1.00 0.00 H new ATOM 637 N THR A 702 2.141 -2.290 -13.298 1.00 0.00 N ATOM 638 CA THR A 702 3.456 -1.905 -13.797 1.00 0.00 C ATOM 639 C THR A 702 3.333 -0.887 -14.926 1.00 0.00 C ATOM 640 O THR A 702 2.230 -0.497 -15.306 1.00 0.00 O ATOM 641 CB THR A 702 4.220 -3.136 -14.287 1.00 0.00 C ATOM 642 OG1 THR A 702 3.762 -4.305 -13.628 1.00 0.00 O ATOM 643 CG2 THR A 702 5.713 -3.039 -14.066 1.00 0.00 C ATOM 0 H THR A 702 1.389 -2.207 -13.982 1.00 0.00 H new ATOM 0 HA THR A 702 4.008 -1.446 -12.976 1.00 0.00 H new ATOM 0 HB THR A 702 4.030 -3.187 -15.359 1.00 0.00 H new ATOM 0 HG1 THR A 702 4.261 -5.082 -13.956 1.00 0.00 H new ATOM 0 HG21 THR A 702 6.195 -3.944 -14.436 1.00 0.00 H new ATOM 0 HG22 THR A 702 6.105 -2.174 -14.602 1.00 0.00 H new ATOM 0 HG23 THR A 702 5.917 -2.928 -13.001 1.00 0.00 H new ATOM 651 N LEU A 703 4.474 -0.460 -15.457 1.00 0.00 N ATOM 652 CA LEU A 703 4.495 0.513 -16.542 1.00 0.00 C ATOM 653 C LEU A 703 3.801 -0.041 -17.783 1.00 0.00 C ATOM 654 O LEU A 703 2.862 0.564 -18.302 1.00 0.00 O ATOM 655 CB LEU A 703 5.938 0.903 -16.877 1.00 0.00 C ATOM 656 CG LEU A 703 6.220 2.406 -16.869 1.00 0.00 C ATOM 657 CD1 LEU A 703 7.642 2.681 -16.404 1.00 0.00 C ATOM 658 CD2 LEU A 703 5.985 2.999 -18.250 1.00 0.00 C ATOM 0 H LEU A 703 5.396 -0.773 -15.153 1.00 0.00 H new ATOM 0 HA LEU A 703 3.954 1.400 -16.213 1.00 0.00 H new ATOM 0 HB2 LEU A 703 6.604 0.420 -16.162 1.00 0.00 H new ATOM 0 HB3 LEU A 703 6.186 0.507 -17.862 1.00 0.00 H new ATOM 0 HG LEU A 703 5.533 2.881 -16.169 1.00 0.00 H new ATOM 0 HD11 LEU A 703 7.824 3.756 -16.405 1.00 0.00 H new ATOM 0 HD12 LEU A 703 7.777 2.291 -15.395 1.00 0.00 H new ATOM 0 HD13 LEU A 703 8.346 2.193 -17.078 1.00 0.00 H new ATOM 0 HD21 LEU A 703 6.190 4.069 -18.226 1.00 0.00 H new ATOM 0 HD22 LEU A 703 6.647 2.518 -18.970 1.00 0.00 H new ATOM 0 HD23 LEU A 703 4.949 2.835 -18.545 1.00 0.00 H new ATOM 670 N GLN A 704 4.266 -1.193 -18.253 1.00 0.00 N ATOM 671 CA GLN A 704 3.689 -1.827 -19.432 1.00 0.00 C ATOM 672 C GLN A 704 3.683 -3.346 -19.286 1.00 0.00 C ATOM 673 O GLN A 704 2.673 -4.001 -19.546 1.00 0.00 O ATOM 674 CB GLN A 704 4.468 -1.427 -20.686 1.00 0.00 C ATOM 675 CG GLN A 704 4.123 -0.036 -21.197 1.00 0.00 C ATOM 676 CD GLN A 704 3.246 -0.070 -22.433 1.00 0.00 C ATOM 677 OE1 GLN A 704 2.036 -0.278 -22.343 1.00 0.00 O ATOM 678 NE2 GLN A 704 3.852 0.136 -23.596 1.00 0.00 N ATOM 0 H GLN A 704 5.042 -1.707 -17.835 1.00 0.00 H new ATOM 0 HA GLN A 704 2.659 -1.485 -19.529 1.00 0.00 H new ATOM 0 HB2 GLN A 704 5.536 -1.472 -20.471 1.00 0.00 H new ATOM 0 HB3 GLN A 704 4.271 -2.154 -21.474 1.00 0.00 H new ATOM 0 HG2 GLN A 704 3.614 0.520 -20.410 1.00 0.00 H new ATOM 0 HG3 GLN A 704 5.043 0.502 -21.424 1.00 0.00 H new ATOM 0 HE21 GLN A 704 4.858 0.305 -23.624 1.00 0.00 H new ATOM 0 HE22 GLN A 704 3.312 0.126 -24.461 1.00 0.00 H new ATOM 687 N ALA A 705 4.817 -3.900 -18.870 1.00 0.00 N ATOM 688 CA ALA A 705 4.943 -5.342 -18.691 1.00 0.00 C ATOM 689 C ALA A 705 4.096 -5.823 -17.517 1.00 0.00 C ATOM 690 O ALA A 705 3.392 -5.037 -16.882 1.00 0.00 O ATOM 691 CB ALA A 705 6.401 -5.723 -18.484 1.00 0.00 C ATOM 0 H ALA A 705 5.662 -3.372 -18.650 1.00 0.00 H new ATOM 0 HA ALA A 705 4.577 -5.830 -19.594 1.00 0.00 H new ATOM 0 HB1 ALA A 705 6.480 -6.802 -18.352 1.00 0.00 H new ATOM 0 HB2 ALA A 705 6.983 -5.421 -19.354 1.00 0.00 H new ATOM 0 HB3 ALA A 705 6.786 -5.220 -17.597 1.00 0.00 H new ATOM 697 N GLN A 706 4.170 -7.119 -17.233 1.00 0.00 N ATOM 698 CA GLN A 706 3.410 -7.704 -16.134 1.00 0.00 C ATOM 699 C GLN A 706 4.100 -8.957 -15.602 1.00 0.00 C ATOM 700 O GLN A 706 4.724 -9.703 -16.358 1.00 0.00 O ATOM 701 CB GLN A 706 1.990 -8.045 -16.592 1.00 0.00 C ATOM 702 CG GLN A 706 0.982 -6.941 -16.317 1.00 0.00 C ATOM 703 CD GLN A 706 -0.447 -7.448 -16.300 1.00 0.00 C ATOM 704 OE1 GLN A 706 -1.021 -7.684 -15.237 1.00 0.00 O ATOM 705 NE2 GLN A 706 -1.029 -7.619 -17.481 1.00 0.00 N ATOM 0 H GLN A 706 4.748 -7.784 -17.748 1.00 0.00 H new ATOM 0 HA GLN A 706 3.358 -6.970 -15.330 1.00 0.00 H new ATOM 0 HB2 GLN A 706 2.003 -8.256 -17.661 1.00 0.00 H new ATOM 0 HB3 GLN A 706 1.664 -8.956 -16.091 1.00 0.00 H new ATOM 0 HG2 GLN A 706 1.210 -6.476 -15.358 1.00 0.00 H new ATOM 0 HG3 GLN A 706 1.080 -6.167 -17.078 1.00 0.00 H new ATOM 0 HE21 GLN A 706 -0.516 -7.411 -18.337 1.00 0.00 H new ATOM 0 HE22 GLN A 706 -1.989 -7.959 -17.532 1.00 0.00 H new ATOM 714 N GLN A 707 3.983 -9.181 -14.297 1.00 0.00 N ATOM 715 CA GLN A 707 4.597 -10.343 -13.664 1.00 0.00 C ATOM 716 C GLN A 707 3.671 -11.553 -13.737 1.00 0.00 C ATOM 717 O GLN A 707 3.988 -12.622 -13.214 1.00 0.00 O ATOM 718 CB GLN A 707 4.938 -10.034 -12.206 1.00 0.00 C ATOM 719 CG GLN A 707 5.770 -8.774 -12.030 1.00 0.00 C ATOM 720 CD GLN A 707 7.261 -9.051 -12.068 1.00 0.00 C ATOM 721 OE1 GLN A 707 7.767 -9.657 -13.012 1.00 0.00 O ATOM 722 NE2 GLN A 707 7.971 -8.606 -11.039 1.00 0.00 N ATOM 0 H GLN A 707 3.469 -8.574 -13.658 1.00 0.00 H new ATOM 0 HA GLN A 707 5.515 -10.577 -14.202 1.00 0.00 H new ATOM 0 HB2 GLN A 707 4.013 -9.931 -11.639 1.00 0.00 H new ATOM 0 HB3 GLN A 707 5.479 -10.879 -11.781 1.00 0.00 H new ATOM 0 HG2 GLN A 707 5.516 -8.062 -12.816 1.00 0.00 H new ATOM 0 HG3 GLN A 707 5.515 -8.304 -11.080 1.00 0.00 H new ATOM 0 HE21 GLN A 707 7.509 -8.108 -10.278 1.00 0.00 H new ATOM 0 HE22 GLN A 707 8.979 -8.762 -11.009 1.00 0.00 H new TER 731 GLN A 707 HETATM 732 ZN ZN A 901 -2.192 7.657 4.953 1.00 0.00 ZN HETATM 733 ZN ZN A 902 -1.612 -3.378 -5.093 1.00 0.00 ZN