USER MOD reduce.3.24.130724 H: found=0, std=0, add=414, rem=0, adj=9 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 -15:sc= -3.63 USER MOD Set 1.2: A 677 THR OG1 : rot 73:sc= 1.11 USER MOD Set 2.1: A 676 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 679 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 654 TYR OH : rot 180:sc= 0 USER MOD Single : A 657 GLN : amide:sc= -0.386 K(o=-0.39,f=-3.6!) USER MOD Single : A 661 TYR OH : rot -18:sc= -0.0803 USER MOD Single : A 662 TYR OH : rot 180:sc= 0 USER MOD Single : A 664 SER OG : rot -56:sc= 1.12 USER MOD Single : A 667 LYS NZ :NH3+ 138:sc= -0.45 (180deg=-1.57!) USER MOD Single : A 680 ASN : amide:sc= -0.691 K(o=-0.69,f=-1.8) USER MOD Single : A 681 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 682 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 683 ASN : amide:sc= -0.853 K(o=-0.85,f=-0.13) USER MOD Single : B 410 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : B 411 HIS : no HD1:sc= -0.0615 X(o=-0.061,f=-0.21) USER MOD Single : B 412 ASN : amide:sc= -0.12 K(o=-0.12,f=-4.2!) USER MOD Single : B 413 MET CE :methyl 177:sc= 0 (180deg=-0.0101) USER MOD Single : B 415 SER OG : rot 180:sc= 0.0761 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 651 5.349 1.246 15.927 1.00 0.00 N ATOM 2 CA GLY A 651 6.142 2.252 15.167 1.00 0.00 C ATOM 3 C GLY A 651 6.625 1.720 13.832 1.00 0.00 C ATOM 4 O GLY A 651 7.641 1.028 13.762 1.00 0.00 O ATOM 0 HA2 GLY A 651 5.533 3.141 15.002 1.00 0.00 H new ATOM 0 HA3 GLY A 651 7.000 2.560 15.764 1.00 0.00 H new ATOM 9 N ALA A 652 5.895 2.044 12.769 1.00 0.00 N ATOM 10 CA ALA A 652 6.255 1.594 11.430 1.00 0.00 C ATOM 11 C ALA A 652 6.205 2.746 10.432 1.00 0.00 C ATOM 12 O ALA A 652 7.233 3.170 9.905 1.00 0.00 O ATOM 13 CB ALA A 652 5.332 0.468 10.987 1.00 0.00 C ATOM 0 H ALA A 652 5.051 2.616 12.809 1.00 0.00 H new ATOM 0 HA ALA A 652 7.278 1.220 11.461 1.00 0.00 H new ATOM 0 HB1 ALA A 652 5.612 0.141 9.985 1.00 0.00 H new ATOM 0 HB2 ALA A 652 5.420 -0.369 11.680 1.00 0.00 H new ATOM 0 HB3 ALA A 652 4.302 0.824 10.978 1.00 0.00 H new ATOM 19 N ASP A 653 5.000 3.246 10.177 1.00 0.00 N ATOM 20 CA ASP A 653 4.809 4.348 9.240 1.00 0.00 C ATOM 21 C ASP A 653 5.369 3.998 7.866 1.00 0.00 C ATOM 22 O ASP A 653 6.407 4.516 7.452 1.00 0.00 O ATOM 23 CB ASP A 653 5.474 5.621 9.771 1.00 0.00 C ATOM 24 CG ASP A 653 4.735 6.876 9.352 1.00 0.00 C ATOM 25 OD1 ASP A 653 5.028 7.401 8.258 1.00 0.00 O ATOM 26 OD2 ASP A 653 3.862 7.335 10.120 1.00 0.00 O ATOM 0 H ASP A 653 4.140 2.905 10.607 1.00 0.00 H new ATOM 0 HA ASP A 653 3.738 4.524 9.139 1.00 0.00 H new ATOM 0 HB2 ASP A 653 5.521 5.576 10.859 1.00 0.00 H new ATOM 0 HB3 ASP A 653 6.501 5.669 9.409 1.00 0.00 H new ATOM 31 N TYR A 654 4.673 3.112 7.170 1.00 0.00 N ATOM 32 CA TYR A 654 5.090 2.677 5.839 1.00 0.00 C ATOM 33 C TYR A 654 3.938 2.728 4.841 1.00 0.00 C ATOM 34 O TYR A 654 4.155 2.624 3.634 1.00 0.00 O ATOM 35 CB TYR A 654 5.670 1.256 5.897 1.00 0.00 C ATOM 36 CG TYR A 654 4.671 0.179 6.291 1.00 0.00 C ATOM 37 CD1 TYR A 654 3.534 0.477 7.039 1.00 0.00 C ATOM 38 CD2 TYR A 654 4.872 -1.148 5.916 1.00 0.00 C ATOM 39 CE1 TYR A 654 2.639 -0.499 7.398 1.00 0.00 C ATOM 40 CE2 TYR A 654 3.972 -2.134 6.274 1.00 0.00 C ATOM 41 CZ TYR A 654 2.857 -1.804 7.016 1.00 0.00 C ATOM 42 OH TYR A 654 1.959 -2.783 7.375 1.00 0.00 O ATOM 0 H TYR A 654 3.813 2.677 7.504 1.00 0.00 H new ATOM 0 HA TYR A 654 5.861 3.367 5.497 1.00 0.00 H new ATOM 0 HB2 TYR A 654 6.086 1.007 4.921 1.00 0.00 H new ATOM 0 HB3 TYR A 654 6.496 1.244 6.608 1.00 0.00 H new ATOM 0 HD1 TYR A 654 3.353 1.498 7.343 1.00 0.00 H new ATOM 0 HD2 TYR A 654 5.745 -1.410 5.336 1.00 0.00 H new ATOM 0 HE1 TYR A 654 1.765 -0.244 7.979 1.00 0.00 H new ATOM 0 HE2 TYR A 654 4.141 -3.158 5.974 1.00 0.00 H new ATOM 0 HH TYR A 654 2.260 -3.647 7.025 1.00 0.00 H new ATOM 52 N SER A 655 2.716 2.891 5.341 1.00 0.00 N ATOM 53 CA SER A 655 1.539 2.952 4.483 1.00 0.00 C ATOM 54 C SER A 655 1.751 3.891 3.302 1.00 0.00 C ATOM 55 O SER A 655 1.155 3.714 2.244 1.00 0.00 O ATOM 56 CB SER A 655 0.321 3.405 5.284 1.00 0.00 C ATOM 57 OG SER A 655 0.089 2.550 6.386 1.00 0.00 O ATOM 0 H SER A 655 2.516 2.983 6.337 1.00 0.00 H new ATOM 0 HA SER A 655 1.368 1.948 4.093 1.00 0.00 H new ATOM 0 HB2 SER A 655 0.473 4.425 5.637 1.00 0.00 H new ATOM 0 HB3 SER A 655 -0.558 3.418 4.639 1.00 0.00 H new ATOM 0 HG SER A 655 0.600 1.722 6.271 1.00 0.00 H new ATOM 63 N ALA A 656 2.598 4.894 3.478 1.00 0.00 N ATOM 64 CA ALA A 656 2.859 5.840 2.408 1.00 0.00 C ATOM 65 C ALA A 656 3.511 5.156 1.229 1.00 0.00 C ATOM 66 O ALA A 656 2.929 5.063 0.148 1.00 0.00 O ATOM 67 CB ALA A 656 3.738 6.982 2.895 1.00 0.00 C ATOM 0 H ALA A 656 3.110 5.072 4.342 1.00 0.00 H new ATOM 0 HA ALA A 656 1.900 6.249 2.088 1.00 0.00 H new ATOM 0 HB1 ALA A 656 3.919 7.677 2.075 1.00 0.00 H new ATOM 0 HB2 ALA A 656 3.237 7.505 3.710 1.00 0.00 H new ATOM 0 HB3 ALA A 656 4.689 6.584 3.250 1.00 0.00 H new ATOM 73 N GLN A 657 4.723 4.678 1.439 1.00 0.00 N ATOM 74 CA GLN A 657 5.446 4.001 0.382 1.00 0.00 C ATOM 75 C GLN A 657 4.816 2.645 0.091 1.00 0.00 C ATOM 76 O GLN A 657 5.062 2.048 -0.957 1.00 0.00 O ATOM 77 CB GLN A 657 6.920 3.835 0.755 1.00 0.00 C ATOM 78 CG GLN A 657 7.868 4.018 -0.419 1.00 0.00 C ATOM 79 CD GLN A 657 8.047 5.473 -0.804 1.00 0.00 C ATOM 80 OE1 GLN A 657 7.077 6.225 -0.896 1.00 0.00 O ATOM 81 NE2 GLN A 657 9.291 5.877 -1.031 1.00 0.00 N ATOM 0 H GLN A 657 5.224 4.746 2.325 1.00 0.00 H new ATOM 0 HA GLN A 657 5.387 4.612 -0.518 1.00 0.00 H new ATOM 0 HB2 GLN A 657 7.173 4.556 1.532 1.00 0.00 H new ATOM 0 HB3 GLN A 657 7.069 2.843 1.181 1.00 0.00 H new ATOM 0 HG2 GLN A 657 8.839 3.591 -0.167 1.00 0.00 H new ATOM 0 HG3 GLN A 657 7.489 3.463 -1.277 1.00 0.00 H new ATOM 0 HE21 GLN A 657 10.065 5.219 -0.943 1.00 0.00 H new ATOM 0 HE22 GLN A 657 9.473 6.846 -1.293 1.00 0.00 H new ATOM 90 N TRP A 658 3.995 2.160 1.020 1.00 0.00 N ATOM 91 CA TRP A 658 3.330 0.882 0.840 1.00 0.00 C ATOM 92 C TRP A 658 2.053 1.064 0.046 1.00 0.00 C ATOM 93 O TRP A 658 1.705 0.224 -0.782 1.00 0.00 O ATOM 94 CB TRP A 658 3.029 0.219 2.188 1.00 0.00 C ATOM 95 CG TRP A 658 3.989 -0.876 2.534 1.00 0.00 C ATOM 96 CD1 TRP A 658 3.692 -2.070 3.126 1.00 0.00 C ATOM 97 CD2 TRP A 658 5.404 -0.881 2.307 1.00 0.00 C ATOM 98 NE1 TRP A 658 4.835 -2.816 3.281 1.00 0.00 N ATOM 99 CE2 TRP A 658 5.898 -2.107 2.785 1.00 0.00 C ATOM 100 CE3 TRP A 658 6.300 0.032 1.745 1.00 0.00 C ATOM 101 CZ2 TRP A 658 7.248 -2.441 2.718 1.00 0.00 C ATOM 102 CZ3 TRP A 658 7.639 -0.302 1.679 1.00 0.00 C ATOM 103 CH2 TRP A 658 8.102 -1.530 2.163 1.00 0.00 C ATOM 0 H TRP A 658 3.779 2.633 1.898 1.00 0.00 H new ATOM 0 HA TRP A 658 4.002 0.226 0.286 1.00 0.00 H new ATOM 0 HB2 TRP A 658 3.054 0.976 2.972 1.00 0.00 H new ATOM 0 HB3 TRP A 658 2.017 -0.186 2.168 1.00 0.00 H new ATOM 0 HD1 TRP A 658 2.703 -2.382 3.428 1.00 0.00 H new ATOM 0 HE1 TRP A 658 4.885 -3.746 3.697 1.00 0.00 H new ATOM 0 HE3 TRP A 658 5.952 0.983 1.369 1.00 0.00 H new ATOM 0 HZ2 TRP A 658 7.608 -3.388 3.092 1.00 0.00 H new ATOM 0 HZ3 TRP A 658 8.340 0.397 1.247 1.00 0.00 H new ATOM 0 HH2 TRP A 658 9.155 -1.763 2.097 1.00 0.00 H new ATOM 114 N ALA A 659 1.367 2.179 0.274 1.00 0.00 N ATOM 115 CA ALA A 659 0.148 2.452 -0.460 1.00 0.00 C ATOM 116 C ALA A 659 0.505 2.855 -1.882 1.00 0.00 C ATOM 117 O ALA A 659 -0.239 2.577 -2.821 1.00 0.00 O ATOM 118 CB ALA A 659 -0.677 3.538 0.222 1.00 0.00 C ATOM 0 H ALA A 659 1.633 2.895 0.951 1.00 0.00 H new ATOM 0 HA ALA A 659 -0.464 1.550 -0.481 1.00 0.00 H new ATOM 0 HB1 ALA A 659 -1.585 3.720 -0.353 1.00 0.00 H new ATOM 0 HB2 ALA A 659 -0.943 3.215 1.228 1.00 0.00 H new ATOM 0 HB3 ALA A 659 -0.093 4.457 0.279 1.00 0.00 H new ATOM 124 N GLU A 660 1.671 3.493 -2.038 1.00 0.00 N ATOM 125 CA GLU A 660 2.138 3.904 -3.356 1.00 0.00 C ATOM 126 C GLU A 660 2.161 2.703 -4.287 1.00 0.00 C ATOM 127 O GLU A 660 1.960 2.827 -5.495 1.00 0.00 O ATOM 128 CB GLU A 660 3.529 4.550 -3.282 1.00 0.00 C ATOM 129 CG GLU A 660 4.684 3.561 -3.158 1.00 0.00 C ATOM 130 CD GLU A 660 5.623 3.603 -4.349 1.00 0.00 C ATOM 131 OE1 GLU A 660 5.624 4.622 -5.071 1.00 0.00 O ATOM 132 OE2 GLU A 660 6.358 2.616 -4.558 1.00 0.00 O ATOM 0 H GLU A 660 2.300 3.732 -1.271 1.00 0.00 H new ATOM 0 HA GLU A 660 1.448 4.652 -3.746 1.00 0.00 H new ATOM 0 HB2 GLU A 660 3.681 5.156 -4.175 1.00 0.00 H new ATOM 0 HB3 GLU A 660 3.555 5.228 -2.429 1.00 0.00 H new ATOM 0 HG2 GLU A 660 5.246 3.778 -2.250 1.00 0.00 H new ATOM 0 HG3 GLU A 660 4.284 2.553 -3.052 1.00 0.00 H new ATOM 139 N TYR A 661 2.398 1.536 -3.700 1.00 0.00 N ATOM 140 CA TYR A 661 2.436 0.298 -4.454 1.00 0.00 C ATOM 141 C TYR A 661 1.044 -0.062 -4.927 1.00 0.00 C ATOM 142 O TYR A 661 0.768 -0.095 -6.124 1.00 0.00 O ATOM 143 CB TYR A 661 3.004 -0.816 -3.583 1.00 0.00 C ATOM 144 CG TYR A 661 4.497 -0.727 -3.441 1.00 0.00 C ATOM 145 CD1 TYR A 661 5.293 -0.650 -4.567 1.00 0.00 C ATOM 146 CD2 TYR A 661 5.109 -0.706 -2.195 1.00 0.00 C ATOM 147 CE1 TYR A 661 6.659 -0.560 -4.469 1.00 0.00 C ATOM 148 CE2 TYR A 661 6.483 -0.611 -2.082 1.00 0.00 C ATOM 149 CZ TYR A 661 7.255 -0.538 -3.224 1.00 0.00 C ATOM 150 OH TYR A 661 8.623 -0.443 -3.121 1.00 0.00 O ATOM 0 H TYR A 661 2.567 1.426 -2.700 1.00 0.00 H new ATOM 0 HA TYR A 661 3.077 0.427 -5.326 1.00 0.00 H new ATOM 0 HB2 TYR A 661 2.545 -0.772 -2.596 1.00 0.00 H new ATOM 0 HB3 TYR A 661 2.740 -1.781 -4.014 1.00 0.00 H new ATOM 0 HD1 TYR A 661 4.832 -0.661 -5.543 1.00 0.00 H new ATOM 0 HD2 TYR A 661 4.504 -0.765 -1.303 1.00 0.00 H new ATOM 0 HE1 TYR A 661 7.265 -0.507 -5.362 1.00 0.00 H new ATOM 0 HE2 TYR A 661 6.949 -0.594 -1.108 1.00 0.00 H new ATOM 0 HH TYR A 661 9.033 -0.684 -3.978 1.00 0.00 H new ATOM 160 N TYR A 662 0.167 -0.309 -3.971 1.00 0.00 N ATOM 161 CA TYR A 662 -1.211 -0.650 -4.268 1.00 0.00 C ATOM 162 C TYR A 662 -1.878 0.459 -5.065 1.00 0.00 C ATOM 163 O TYR A 662 -2.882 0.232 -5.735 1.00 0.00 O ATOM 164 CB TYR A 662 -1.959 -0.923 -2.971 1.00 0.00 C ATOM 165 CG TYR A 662 -1.185 -1.832 -2.060 1.00 0.00 C ATOM 166 CD1 TYR A 662 -1.116 -3.198 -2.291 1.00 0.00 C ATOM 167 CD2 TYR A 662 -0.501 -1.313 -0.981 1.00 0.00 C ATOM 168 CE1 TYR A 662 -0.385 -4.021 -1.461 1.00 0.00 C ATOM 169 CE2 TYR A 662 0.234 -2.119 -0.146 1.00 0.00 C ATOM 170 CZ TYR A 662 0.291 -3.477 -0.386 1.00 0.00 C ATOM 171 OH TYR A 662 1.025 -4.290 0.447 1.00 0.00 O ATOM 0 H TYR A 662 0.388 -0.279 -2.976 1.00 0.00 H new ATOM 0 HA TYR A 662 -1.234 -1.552 -4.880 1.00 0.00 H new ATOM 0 HB2 TYR A 662 -2.157 0.020 -2.461 1.00 0.00 H new ATOM 0 HB3 TYR A 662 -2.926 -1.373 -3.197 1.00 0.00 H new ATOM 0 HD1 TYR A 662 -1.642 -3.623 -3.133 1.00 0.00 H new ATOM 0 HD2 TYR A 662 -0.544 -0.251 -0.788 1.00 0.00 H new ATOM 0 HE1 TYR A 662 -0.341 -5.083 -1.650 1.00 0.00 H new ATOM 0 HE2 TYR A 662 0.764 -1.693 0.693 1.00 0.00 H new ATOM 0 HH TYR A 662 1.438 -3.749 1.152 1.00 0.00 H new ATOM 181 N ARG A 663 -1.295 1.656 -5.016 1.00 0.00 N ATOM 182 CA ARG A 663 -1.829 2.778 -5.766 1.00 0.00 C ATOM 183 C ARG A 663 -1.400 2.695 -7.228 1.00 0.00 C ATOM 184 O ARG A 663 -1.762 3.546 -8.041 1.00 0.00 O ATOM 185 CB ARG A 663 -1.376 4.109 -5.160 1.00 0.00 C ATOM 186 CG ARG A 663 -2.477 4.841 -4.410 1.00 0.00 C ATOM 187 CD ARG A 663 -2.148 4.986 -2.934 1.00 0.00 C ATOM 188 NE ARG A 663 -3.257 5.564 -2.179 1.00 0.00 N ATOM 189 CZ ARG A 663 -3.541 6.865 -2.158 1.00 0.00 C ATOM 190 NH1 ARG A 663 -2.802 7.724 -2.848 1.00 0.00 N ATOM 191 NH2 ARG A 663 -4.568 7.307 -1.444 1.00 0.00 N ATOM 0 H ARG A 663 -0.461 1.867 -4.468 1.00 0.00 H new ATOM 0 HA ARG A 663 -2.917 2.730 -5.714 1.00 0.00 H new ATOM 0 HB2 ARG A 663 -0.545 3.925 -4.480 1.00 0.00 H new ATOM 0 HB3 ARG A 663 -1.000 4.752 -5.956 1.00 0.00 H new ATOM 0 HG2 ARG A 663 -2.623 5.828 -4.849 1.00 0.00 H new ATOM 0 HG3 ARG A 663 -3.416 4.300 -4.522 1.00 0.00 H new ATOM 0 HD2 ARG A 663 -1.899 4.009 -2.521 1.00 0.00 H new ATOM 0 HD3 ARG A 663 -1.265 5.615 -2.820 1.00 0.00 H new ATOM 0 HE ARG A 663 -3.848 4.935 -1.636 1.00 0.00 H new ATOM 0 HH11 ARG A 663 -2.011 7.389 -3.399 1.00 0.00 H new ATOM 0 HH12 ARG A 663 -3.025 8.719 -2.828 1.00 0.00 H new ATOM 0 HH21 ARG A 663 -5.139 6.651 -0.912 1.00 0.00 H new ATOM 0 HH22 ARG A 663 -4.786 8.303 -1.427 1.00 0.00 H new ATOM 205 N SER A 664 -0.626 1.662 -7.557 1.00 0.00 N ATOM 206 CA SER A 664 -0.155 1.466 -8.917 1.00 0.00 C ATOM 207 C SER A 664 0.316 0.034 -9.140 1.00 0.00 C ATOM 208 O SER A 664 1.092 -0.241 -10.055 1.00 0.00 O ATOM 209 CB SER A 664 0.957 2.453 -9.230 1.00 0.00 C ATOM 210 OG SER A 664 1.558 2.171 -10.481 1.00 0.00 O ATOM 0 H SER A 664 -0.314 0.950 -6.896 1.00 0.00 H new ATOM 0 HA SER A 664 -0.988 1.646 -9.596 1.00 0.00 H new ATOM 0 HB2 SER A 664 0.555 3.466 -9.237 1.00 0.00 H new ATOM 0 HB3 SER A 664 1.712 2.415 -8.445 1.00 0.00 H new ATOM 0 HG SER A 664 1.887 1.248 -10.485 1.00 0.00 H new ATOM 216 N VAL A 665 -0.181 -0.881 -8.312 1.00 0.00 N ATOM 217 CA VAL A 665 0.163 -2.289 -8.432 1.00 0.00 C ATOM 218 C VAL A 665 -1.081 -3.102 -8.786 1.00 0.00 C ATOM 219 O VAL A 665 -0.988 -4.281 -9.130 1.00 0.00 O ATOM 220 CB VAL A 665 0.819 -2.841 -7.138 1.00 0.00 C ATOM 221 CG1 VAL A 665 -0.222 -3.324 -6.133 1.00 0.00 C ATOM 222 CG2 VAL A 665 1.798 -3.957 -7.475 1.00 0.00 C ATOM 0 H VAL A 665 -0.825 -0.669 -7.550 1.00 0.00 H new ATOM 0 HA VAL A 665 0.897 -2.383 -9.232 1.00 0.00 H new ATOM 0 HB VAL A 665 1.364 -2.021 -6.670 1.00 0.00 H new ATOM 0 HG11 VAL A 665 0.280 -3.702 -5.242 1.00 0.00 H new ATOM 0 HG12 VAL A 665 -0.874 -2.495 -5.858 1.00 0.00 H new ATOM 0 HG13 VAL A 665 -0.817 -4.120 -6.580 1.00 0.00 H new ATOM 0 HG21 VAL A 665 2.250 -4.334 -6.558 1.00 0.00 H new ATOM 0 HG22 VAL A 665 1.268 -4.766 -7.978 1.00 0.00 H new ATOM 0 HG23 VAL A 665 2.578 -3.571 -8.132 1.00 0.00 H new ATOM 232 N GLY A 666 -2.248 -2.455 -8.710 1.00 0.00 N ATOM 233 CA GLY A 666 -3.489 -3.128 -9.038 1.00 0.00 C ATOM 234 C GLY A 666 -4.489 -3.121 -7.896 1.00 0.00 C ATOM 235 O GLY A 666 -5.170 -4.120 -7.662 1.00 0.00 O ATOM 0 H GLY A 666 -2.350 -1.480 -8.428 1.00 0.00 H new ATOM 0 HA2 GLY A 666 -3.937 -2.648 -9.908 1.00 0.00 H new ATOM 0 HA3 GLY A 666 -3.273 -4.159 -9.318 1.00 0.00 H new ATOM 239 N LYS A 667 -4.587 -1.999 -7.185 1.00 0.00 N ATOM 240 CA LYS A 667 -5.525 -1.896 -6.070 1.00 0.00 C ATOM 241 C LYS A 667 -5.441 -0.538 -5.371 1.00 0.00 C ATOM 242 O LYS A 667 -5.286 -0.469 -4.151 1.00 0.00 O ATOM 243 CB LYS A 667 -5.271 -3.017 -5.059 1.00 0.00 C ATOM 244 CG LYS A 667 -3.805 -3.191 -4.694 1.00 0.00 C ATOM 245 CD LYS A 667 -3.262 -4.529 -5.171 1.00 0.00 C ATOM 246 CE LYS A 667 -3.762 -5.674 -4.304 1.00 0.00 C ATOM 247 NZ LYS A 667 -5.000 -6.290 -4.856 1.00 0.00 N ATOM 0 H LYS A 667 -4.036 -1.158 -7.358 1.00 0.00 H new ATOM 0 HA LYS A 667 -6.529 -1.995 -6.482 1.00 0.00 H new ATOM 0 HB2 LYS A 667 -5.840 -2.812 -4.152 1.00 0.00 H new ATOM 0 HB3 LYS A 667 -5.648 -3.955 -5.467 1.00 0.00 H new ATOM 0 HG2 LYS A 667 -3.222 -2.383 -5.136 1.00 0.00 H new ATOM 0 HG3 LYS A 667 -3.688 -3.115 -3.613 1.00 0.00 H new ATOM 0 HD2 LYS A 667 -3.562 -4.697 -6.205 1.00 0.00 H new ATOM 0 HD3 LYS A 667 -2.172 -4.508 -5.154 1.00 0.00 H new ATOM 0 HE2 LYS A 667 -2.984 -6.433 -4.222 1.00 0.00 H new ATOM 0 HE3 LYS A 667 -3.957 -5.308 -3.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 667 -4.939 -7.325 -4.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 667 -5.825 -5.949 -4.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 667 -5.102 -6.027 -5.857 1.00 0.00 H new ATOM 261 N ILE A 668 -5.566 0.544 -6.141 1.00 0.00 N ATOM 262 CA ILE A 668 -5.524 1.893 -5.571 1.00 0.00 C ATOM 263 C ILE A 668 -6.545 2.017 -4.457 1.00 0.00 C ATOM 264 O ILE A 668 -6.228 2.418 -3.339 1.00 0.00 O ATOM 265 CB ILE A 668 -5.819 2.975 -6.634 1.00 0.00 C ATOM 266 CG1 ILE A 668 -4.595 3.196 -7.512 1.00 0.00 C ATOM 267 CG2 ILE A 668 -6.242 4.288 -5.980 1.00 0.00 C ATOM 268 CD1 ILE A 668 -4.096 1.933 -8.171 1.00 0.00 C ATOM 0 H ILE A 668 -5.696 0.515 -7.152 1.00 0.00 H new ATOM 0 HA ILE A 668 -4.517 2.050 -5.185 1.00 0.00 H new ATOM 0 HB ILE A 668 -6.644 2.624 -7.254 1.00 0.00 H new ATOM 0 HG12 ILE A 668 -4.837 3.928 -8.282 1.00 0.00 H new ATOM 0 HG13 ILE A 668 -3.795 3.622 -6.907 1.00 0.00 H new ATOM 0 HG21 ILE A 668 -6.443 5.031 -6.752 1.00 0.00 H new ATOM 0 HG22 ILE A 668 -7.143 4.126 -5.389 1.00 0.00 H new ATOM 0 HG23 ILE A 668 -5.442 4.646 -5.332 1.00 0.00 H new ATOM 0 HD11 ILE A 668 -3.223 2.162 -8.782 1.00 0.00 H new ATOM 0 HD12 ILE A 668 -3.823 1.207 -7.406 1.00 0.00 H new ATOM 0 HD13 ILE A 668 -4.881 1.517 -8.802 1.00 0.00 H new ATOM 280 N GLU A 669 -7.774 1.658 -4.783 1.00 0.00 N ATOM 281 CA GLU A 669 -8.866 1.705 -3.832 1.00 0.00 C ATOM 282 C GLU A 669 -8.478 0.979 -2.553 1.00 0.00 C ATOM 283 O GLU A 669 -8.841 1.395 -1.452 1.00 0.00 O ATOM 284 CB GLU A 669 -10.099 1.075 -4.467 1.00 0.00 C ATOM 285 CG GLU A 669 -11.390 1.821 -4.172 1.00 0.00 C ATOM 286 CD GLU A 669 -12.159 1.218 -3.012 1.00 0.00 C ATOM 287 OE1 GLU A 669 -12.509 0.022 -3.089 1.00 0.00 O ATOM 288 OE2 GLU A 669 -12.411 1.943 -2.026 1.00 0.00 O ATOM 0 H GLU A 669 -8.041 1.327 -5.710 1.00 0.00 H new ATOM 0 HA GLU A 669 -9.089 2.740 -3.572 1.00 0.00 H new ATOM 0 HB2 GLU A 669 -9.956 1.028 -5.547 1.00 0.00 H new ATOM 0 HB3 GLU A 669 -10.194 0.049 -4.113 1.00 0.00 H new ATOM 0 HG2 GLU A 669 -11.161 2.863 -3.949 1.00 0.00 H new ATOM 0 HG3 GLU A 669 -12.019 1.817 -5.062 1.00 0.00 H new ATOM 295 N GLU A 670 -7.706 -0.086 -2.707 1.00 0.00 N ATOM 296 CA GLU A 670 -7.228 -0.846 -1.566 1.00 0.00 C ATOM 297 C GLU A 670 -6.025 -0.142 -0.964 1.00 0.00 C ATOM 298 O GLU A 670 -5.770 -0.252 0.235 1.00 0.00 O ATOM 299 CB GLU A 670 -6.864 -2.274 -1.975 1.00 0.00 C ATOM 300 CG GLU A 670 -7.195 -3.313 -0.917 1.00 0.00 C ATOM 301 CD GLU A 670 -7.038 -4.733 -1.425 1.00 0.00 C ATOM 302 OE1 GLU A 670 -5.914 -5.098 -1.829 1.00 0.00 O ATOM 303 OE2 GLU A 670 -8.039 -5.480 -1.418 1.00 0.00 O ATOM 0 H GLU A 670 -7.398 -0.442 -3.612 1.00 0.00 H new ATOM 0 HA GLU A 670 -8.022 -0.907 -0.822 1.00 0.00 H new ATOM 0 HB2 GLU A 670 -7.391 -2.525 -2.896 1.00 0.00 H new ATOM 0 HB3 GLU A 670 -5.797 -2.319 -2.195 1.00 0.00 H new ATOM 0 HG2 GLU A 670 -6.546 -3.166 -0.053 1.00 0.00 H new ATOM 0 HG3 GLU A 670 -8.219 -3.165 -0.575 1.00 0.00 H new ATOM 310 N ALA A 671 -5.297 0.611 -1.794 1.00 0.00 N ATOM 311 CA ALA A 671 -4.150 1.347 -1.300 1.00 0.00 C ATOM 312 C ALA A 671 -4.607 2.361 -0.269 1.00 0.00 C ATOM 313 O ALA A 671 -3.911 2.624 0.709 1.00 0.00 O ATOM 314 CB ALA A 671 -3.400 2.019 -2.430 1.00 0.00 C ATOM 0 H ALA A 671 -5.483 0.721 -2.791 1.00 0.00 H new ATOM 0 HA ALA A 671 -3.460 0.648 -0.829 1.00 0.00 H new ATOM 0 HB1 ALA A 671 -2.546 2.563 -2.027 1.00 0.00 H new ATOM 0 HB2 ALA A 671 -3.050 1.264 -3.134 1.00 0.00 H new ATOM 0 HB3 ALA A 671 -4.063 2.715 -2.944 1.00 0.00 H new ATOM 320 N GLU A 672 -5.811 2.898 -0.465 1.00 0.00 N ATOM 321 CA GLU A 672 -6.365 3.839 0.494 1.00 0.00 C ATOM 322 C GLU A 672 -6.495 3.146 1.844 1.00 0.00 C ATOM 323 O GLU A 672 -6.514 3.791 2.892 1.00 0.00 O ATOM 324 CB GLU A 672 -7.724 4.358 0.018 1.00 0.00 C ATOM 325 CG GLU A 672 -7.695 4.940 -1.388 1.00 0.00 C ATOM 326 CD GLU A 672 -9.082 5.220 -1.930 1.00 0.00 C ATOM 327 OE1 GLU A 672 -10.010 4.444 -1.618 1.00 0.00 O ATOM 328 OE2 GLU A 672 -9.243 6.216 -2.666 1.00 0.00 O ATOM 0 H GLU A 672 -6.409 2.699 -1.267 1.00 0.00 H new ATOM 0 HA GLU A 672 -5.700 4.697 0.589 1.00 0.00 H new ATOM 0 HB2 GLU A 672 -8.447 3.543 0.050 1.00 0.00 H new ATOM 0 HB3 GLU A 672 -8.075 5.122 0.711 1.00 0.00 H new ATOM 0 HG2 GLU A 672 -7.117 5.864 -1.383 1.00 0.00 H new ATOM 0 HG3 GLU A 672 -7.182 4.247 -2.054 1.00 0.00 H new ATOM 335 N ALA A 673 -6.551 1.813 1.802 1.00 0.00 N ATOM 336 CA ALA A 673 -6.639 1.012 3.007 1.00 0.00 C ATOM 337 C ALA A 673 -5.287 0.988 3.706 1.00 0.00 C ATOM 338 O ALA A 673 -5.208 0.955 4.933 1.00 0.00 O ATOM 339 CB ALA A 673 -7.098 -0.400 2.677 1.00 0.00 C ATOM 0 H ALA A 673 -6.536 1.271 0.938 1.00 0.00 H new ATOM 0 HA ALA A 673 -7.375 1.457 3.677 1.00 0.00 H new ATOM 0 HB1 ALA A 673 -7.158 -0.987 3.594 1.00 0.00 H new ATOM 0 HB2 ALA A 673 -8.080 -0.362 2.205 1.00 0.00 H new ATOM 0 HB3 ALA A 673 -6.385 -0.864 1.995 1.00 0.00 H new ATOM 345 N ILE A 674 -4.220 1.024 2.907 1.00 0.00 N ATOM 346 CA ILE A 674 -2.866 1.029 3.441 1.00 0.00 C ATOM 347 C ILE A 674 -2.666 2.238 4.342 1.00 0.00 C ATOM 348 O ILE A 674 -2.242 2.114 5.487 1.00 0.00 O ATOM 349 CB ILE A 674 -1.800 1.079 2.321 1.00 0.00 C ATOM 350 CG1 ILE A 674 -1.474 -0.306 1.794 1.00 0.00 C ATOM 351 CG2 ILE A 674 -0.529 1.728 2.823 1.00 0.00 C ATOM 352 CD1 ILE A 674 -2.589 -0.912 0.994 1.00 0.00 C ATOM 0 H ILE A 674 -4.272 1.050 1.889 1.00 0.00 H new ATOM 0 HA ILE A 674 -2.743 0.102 4.002 1.00 0.00 H new ATOM 0 HB ILE A 674 -2.220 1.671 1.508 1.00 0.00 H new ATOM 0 HG12 ILE A 674 -0.579 -0.250 1.174 1.00 0.00 H new ATOM 0 HG13 ILE A 674 -1.240 -0.961 2.633 1.00 0.00 H new ATOM 0 HG21 ILE A 674 0.208 1.753 2.020 1.00 0.00 H new ATOM 0 HG22 ILE A 674 -0.745 2.745 3.150 1.00 0.00 H new ATOM 0 HG23 ILE A 674 -0.133 1.154 3.661 1.00 0.00 H new ATOM 0 HD11 ILE A 674 -2.292 -1.901 0.647 1.00 0.00 H new ATOM 0 HD12 ILE A 674 -3.479 -0.999 1.618 1.00 0.00 H new ATOM 0 HD13 ILE A 674 -2.808 -0.277 0.136 1.00 0.00 H new ATOM 364 N GLU A 675 -2.965 3.413 3.800 1.00 0.00 N ATOM 365 CA GLU A 675 -2.810 4.657 4.538 1.00 0.00 C ATOM 366 C GLU A 675 -3.377 4.530 5.948 1.00 0.00 C ATOM 367 O GLU A 675 -2.900 5.180 6.877 1.00 0.00 O ATOM 368 CB GLU A 675 -3.483 5.802 3.779 1.00 0.00 C ATOM 369 CG GLU A 675 -2.503 6.836 3.250 1.00 0.00 C ATOM 370 CD GLU A 675 -3.196 8.054 2.670 1.00 0.00 C ATOM 371 OE1 GLU A 675 -4.275 7.889 2.063 1.00 0.00 O ATOM 372 OE2 GLU A 675 -2.660 9.171 2.824 1.00 0.00 O ATOM 0 H GLU A 675 -3.317 3.528 2.850 1.00 0.00 H new ATOM 0 HA GLU A 675 -1.746 4.877 4.629 1.00 0.00 H new ATOM 0 HB2 GLU A 675 -4.051 5.390 2.944 1.00 0.00 H new ATOM 0 HB3 GLU A 675 -4.198 6.294 4.439 1.00 0.00 H new ATOM 0 HG2 GLU A 675 -1.841 7.149 4.057 1.00 0.00 H new ATOM 0 HG3 GLU A 675 -1.877 6.379 2.483 1.00 0.00 H new ATOM 379 N LYS A 676 -4.386 3.677 6.107 1.00 0.00 N ATOM 380 CA LYS A 676 -4.989 3.465 7.418 1.00 0.00 C ATOM 381 C LYS A 676 -3.958 2.927 8.406 1.00 0.00 C ATOM 382 O LYS A 676 -4.007 3.241 9.595 1.00 0.00 O ATOM 383 CB LYS A 676 -6.173 2.502 7.315 1.00 0.00 C ATOM 384 CG LYS A 676 -7.327 2.855 8.238 1.00 0.00 C ATOM 385 CD LYS A 676 -8.320 3.784 7.558 1.00 0.00 C ATOM 386 CE LYS A 676 -9.751 3.449 7.946 1.00 0.00 C ATOM 387 NZ LYS A 676 -10.003 3.676 9.395 1.00 0.00 N ATOM 0 H LYS A 676 -4.799 3.128 5.353 1.00 0.00 H new ATOM 0 HA LYS A 676 -5.351 4.426 7.784 1.00 0.00 H new ATOM 0 HB2 LYS A 676 -6.532 2.490 6.286 1.00 0.00 H new ATOM 0 HB3 LYS A 676 -5.831 1.493 7.545 1.00 0.00 H new ATOM 0 HG2 LYS A 676 -7.836 1.943 8.551 1.00 0.00 H new ATOM 0 HG3 LYS A 676 -6.941 3.330 9.140 1.00 0.00 H new ATOM 0 HD2 LYS A 676 -8.100 4.816 7.831 1.00 0.00 H new ATOM 0 HD3 LYS A 676 -8.208 3.709 6.476 1.00 0.00 H new ATOM 0 HE2 LYS A 676 -10.438 4.058 7.359 1.00 0.00 H new ATOM 0 HE3 LYS A 676 -9.959 2.408 7.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 676 -10.990 3.436 9.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 676 -9.365 3.076 9.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 676 -9.830 4.675 9.625 1.00 0.00 H new ATOM 401 N THR A 677 -3.012 2.133 7.909 1.00 0.00 N ATOM 402 CA THR A 677 -1.965 1.583 8.763 1.00 0.00 C ATOM 403 C THR A 677 -1.057 2.704 9.245 1.00 0.00 C ATOM 404 O THR A 677 -0.516 2.652 10.350 1.00 0.00 O ATOM 405 CB THR A 677 -1.136 0.520 8.029 1.00 0.00 C ATOM 406 OG1 THR A 677 -1.710 0.202 6.773 1.00 0.00 O ATOM 407 CG2 THR A 677 -1.006 -0.769 8.809 1.00 0.00 C ATOM 0 H THR A 677 -2.950 1.859 6.929 1.00 0.00 H new ATOM 0 HA THR A 677 -2.444 1.102 9.616 1.00 0.00 H new ATOM 0 HB THR A 677 -0.147 0.962 7.905 1.00 0.00 H new ATOM 0 HG1 THR A 677 -1.562 0.943 6.149 1.00 0.00 H new ATOM 0 HG21 THR A 677 -0.409 -1.481 8.239 1.00 0.00 H new ATOM 0 HG22 THR A 677 -0.518 -0.569 9.763 1.00 0.00 H new ATOM 0 HG23 THR A 677 -1.996 -1.187 8.988 1.00 0.00 H new ATOM 415 N LEU A 678 -0.910 3.730 8.410 1.00 0.00 N ATOM 416 CA LEU A 678 -0.085 4.881 8.744 1.00 0.00 C ATOM 417 C LEU A 678 -0.481 5.427 10.105 1.00 0.00 C ATOM 418 O LEU A 678 0.360 5.887 10.877 1.00 0.00 O ATOM 419 CB LEU A 678 -0.245 5.966 7.679 1.00 0.00 C ATOM 420 CG LEU A 678 1.044 6.679 7.274 1.00 0.00 C ATOM 421 CD1 LEU A 678 2.141 5.673 6.946 1.00 0.00 C ATOM 422 CD2 LEU A 678 0.779 7.593 6.090 1.00 0.00 C ATOM 0 H LEU A 678 -1.355 3.785 7.494 1.00 0.00 H new ATOM 0 HA LEU A 678 0.959 4.570 8.778 1.00 0.00 H new ATOM 0 HB2 LEU A 678 -0.687 5.517 6.790 1.00 0.00 H new ATOM 0 HB3 LEU A 678 -0.952 6.710 8.045 1.00 0.00 H new ATOM 0 HG LEU A 678 1.387 7.283 8.114 1.00 0.00 H new ATOM 0 HD11 LEU A 678 3.049 6.205 6.660 1.00 0.00 H new ATOM 0 HD12 LEU A 678 2.342 5.056 7.822 1.00 0.00 H new ATOM 0 HD13 LEU A 678 1.818 5.038 6.121 1.00 0.00 H new ATOM 0 HD21 LEU A 678 1.702 8.098 5.807 1.00 0.00 H new ATOM 0 HD22 LEU A 678 0.415 7.003 5.249 1.00 0.00 H new ATOM 0 HD23 LEU A 678 0.029 8.335 6.364 1.00 0.00 H new ATOM 434 N LYS A 679 -1.775 5.355 10.396 1.00 0.00 N ATOM 435 CA LYS A 679 -2.297 5.823 11.669 1.00 0.00 C ATOM 436 C LYS A 679 -1.600 5.116 12.832 1.00 0.00 C ATOM 437 O LYS A 679 -1.601 5.607 13.960 1.00 0.00 O ATOM 438 CB LYS A 679 -3.802 5.582 11.727 1.00 0.00 C ATOM 439 CG LYS A 679 -4.445 6.026 13.031 1.00 0.00 C ATOM 440 CD LYS A 679 -5.902 6.412 12.830 1.00 0.00 C ATOM 441 CE LYS A 679 -6.746 5.211 12.435 1.00 0.00 C ATOM 442 NZ LYS A 679 -8.156 5.595 12.143 1.00 0.00 N ATOM 0 H LYS A 679 -2.481 4.976 9.765 1.00 0.00 H new ATOM 0 HA LYS A 679 -2.102 6.892 11.757 1.00 0.00 H new ATOM 0 HB2 LYS A 679 -4.277 6.110 10.900 1.00 0.00 H new ATOM 0 HB3 LYS A 679 -3.996 4.520 11.580 1.00 0.00 H new ATOM 0 HG2 LYS A 679 -4.378 5.221 13.763 1.00 0.00 H new ATOM 0 HG3 LYS A 679 -3.895 6.875 13.439 1.00 0.00 H new ATOM 0 HD2 LYS A 679 -6.294 6.848 13.749 1.00 0.00 H new ATOM 0 HD3 LYS A 679 -5.974 7.178 12.058 1.00 0.00 H new ATOM 0 HE2 LYS A 679 -6.310 4.734 11.557 1.00 0.00 H new ATOM 0 HE3 LYS A 679 -6.729 4.475 13.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 679 -8.699 4.748 11.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 679 -8.580 6.027 12.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 679 -8.175 6.278 11.359 1.00 0.00 H new ATOM 456 N ASN A 680 -1.001 3.959 12.544 1.00 0.00 N ATOM 457 CA ASN A 680 -0.293 3.180 13.556 1.00 0.00 C ATOM 458 C ASN A 680 0.645 4.062 14.376 1.00 0.00 C ATOM 459 O ASN A 680 1.629 4.589 13.857 1.00 0.00 O ATOM 460 CB ASN A 680 0.503 2.053 12.892 1.00 0.00 C ATOM 461 CG ASN A 680 -0.357 0.845 12.577 1.00 0.00 C ATOM 462 OD1 ASN A 680 -1.496 0.979 12.132 1.00 0.00 O ATOM 463 ND2 ASN A 680 0.186 -0.345 12.809 1.00 0.00 N ATOM 0 H ASN A 680 -0.994 3.541 11.614 1.00 0.00 H new ATOM 0 HA ASN A 680 -1.035 2.751 14.230 1.00 0.00 H new ATOM 0 HB2 ASN A 680 0.954 2.424 11.972 1.00 0.00 H new ATOM 0 HB3 ASN A 680 1.319 1.753 13.549 1.00 0.00 H new ATOM 0 HD21 ASN A 680 -0.346 -1.194 12.617 1.00 0.00 H new ATOM 0 HD22 ASN A 680 1.134 -0.409 13.179 1.00 0.00 H new ATOM 470 N LYS A 681 0.333 4.218 15.658 1.00 0.00 N ATOM 471 CA LYS A 681 1.147 5.035 16.549 1.00 0.00 C ATOM 472 C LYS A 681 1.021 4.560 17.993 1.00 0.00 C ATOM 473 O LYS A 681 1.095 5.356 18.929 1.00 0.00 O ATOM 474 CB LYS A 681 0.736 6.506 16.447 1.00 0.00 C ATOM 475 CG LYS A 681 1.407 7.247 15.303 1.00 0.00 C ATOM 476 CD LYS A 681 2.916 7.297 15.481 1.00 0.00 C ATOM 477 CE LYS A 681 3.491 8.613 14.982 1.00 0.00 C ATOM 478 NZ LYS A 681 4.717 9.003 15.732 1.00 0.00 N ATOM 0 H LYS A 681 -0.478 3.789 16.103 1.00 0.00 H new ATOM 0 HA LYS A 681 2.188 4.933 16.242 1.00 0.00 H new ATOM 0 HB2 LYS A 681 -0.345 6.565 16.322 1.00 0.00 H new ATOM 0 HB3 LYS A 681 0.976 7.008 17.384 1.00 0.00 H new ATOM 0 HG2 LYS A 681 1.167 6.756 14.360 1.00 0.00 H new ATOM 0 HG3 LYS A 681 1.013 8.261 15.244 1.00 0.00 H new ATOM 0 HD2 LYS A 681 3.164 7.166 16.534 1.00 0.00 H new ATOM 0 HD3 LYS A 681 3.375 6.469 14.940 1.00 0.00 H new ATOM 0 HE2 LYS A 681 3.726 8.527 13.921 1.00 0.00 H new ATOM 0 HE3 LYS A 681 2.741 9.397 15.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 681 5.078 9.905 15.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 681 4.488 9.110 16.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 681 5.443 8.267 15.618 1.00 0.00 H new ATOM 492 N GLN A 682 0.830 3.256 18.167 1.00 0.00 N ATOM 493 CA GLN A 682 0.693 2.673 19.496 1.00 0.00 C ATOM 494 C GLN A 682 1.995 2.013 19.937 1.00 0.00 C ATOM 495 O GLN A 682 1.983 0.988 20.619 1.00 0.00 O ATOM 496 CB GLN A 682 -0.443 1.650 19.514 1.00 0.00 C ATOM 497 CG GLN A 682 -1.812 2.255 19.251 1.00 0.00 C ATOM 498 CD GLN A 682 -2.935 1.252 19.423 1.00 0.00 C ATOM 499 OE1 GLN A 682 -3.257 0.499 18.504 1.00 0.00 O ATOM 500 NE2 GLN A 682 -3.541 1.238 20.606 1.00 0.00 N ATOM 0 H GLN A 682 0.767 2.583 17.403 1.00 0.00 H new ATOM 0 HA GLN A 682 0.459 3.476 20.195 1.00 0.00 H new ATOM 0 HB2 GLN A 682 -0.243 0.885 18.764 1.00 0.00 H new ATOM 0 HB3 GLN A 682 -0.456 1.151 20.483 1.00 0.00 H new ATOM 0 HG2 GLN A 682 -1.971 3.093 19.930 1.00 0.00 H new ATOM 0 HG3 GLN A 682 -1.840 2.656 18.238 1.00 0.00 H new ATOM 0 HE21 GLN A 682 -3.242 1.880 21.340 1.00 0.00 H new ATOM 0 HE22 GLN A 682 -4.305 0.585 20.780 1.00 0.00 H new ATOM 509 N ASN A 683 3.117 2.607 19.544 1.00 0.00 N ATOM 510 CA ASN A 683 4.428 2.077 19.898 1.00 0.00 C ATOM 511 C ASN A 683 4.606 2.031 21.413 1.00 0.00 C ATOM 512 O ASN A 683 5.672 1.566 21.869 1.00 0.00 O ATOM 513 CB ASN A 683 5.533 2.927 19.269 1.00 0.00 C ATOM 514 CG ASN A 683 5.435 4.387 19.663 1.00 0.00 C ATOM 515 OD1 ASN A 683 5.000 5.227 18.875 1.00 0.00 O ATOM 516 ND2 ASN A 683 5.838 4.698 20.889 1.00 0.00 N ATOM 517 OXT ASN A 683 3.678 2.461 22.129 1.00 0.00 O ATOM 0 H ASN A 683 3.144 3.456 18.980 1.00 0.00 H new ATOM 0 HA ASN A 683 4.497 1.060 19.511 1.00 0.00 H new ATOM 0 HB2 ASN A 683 6.505 2.536 19.572 1.00 0.00 H new ATOM 0 HB3 ASN A 683 5.479 2.842 18.184 1.00 0.00 H new ATOM 0 HD21 ASN A 683 5.794 5.665 21.210 1.00 0.00 H new ATOM 0 HD22 ASN A 683 6.192 3.970 21.510 1.00 0.00 H new TER 524 ASN A 683 ATOM 525 N ARG B 405 2.162 -24.322 -11.334 1.00 0.00 N ATOM 526 CA ARG B 405 2.274 -22.836 -11.367 1.00 0.00 C ATOM 527 C ARG B 405 1.956 -22.220 -10.004 1.00 0.00 C ATOM 528 O ARG B 405 2.747 -21.444 -9.468 1.00 0.00 O ATOM 529 CB ARG B 405 1.317 -22.289 -12.433 1.00 0.00 C ATOM 530 CG ARG B 405 2.009 -21.907 -13.731 1.00 0.00 C ATOM 531 CD ARG B 405 1.062 -22.004 -14.916 1.00 0.00 C ATOM 532 NE ARG B 405 0.356 -20.748 -15.156 1.00 0.00 N ATOM 533 CZ ARG B 405 -0.593 -20.596 -16.078 1.00 0.00 C ATOM 534 NH1 ARG B 405 -0.951 -21.617 -16.847 1.00 0.00 N ATOM 535 NH2 ARG B 405 -1.185 -19.420 -16.230 1.00 0.00 N ATOM 0 HA ARG B 405 3.301 -22.567 -11.614 1.00 0.00 H new ATOM 0 HB2 ARG B 405 0.554 -23.039 -12.644 1.00 0.00 H new ATOM 0 HB3 ARG B 405 0.803 -21.415 -12.034 1.00 0.00 H new ATOM 0 HG2 ARG B 405 2.394 -20.890 -13.654 1.00 0.00 H new ATOM 0 HG3 ARG B 405 2.866 -22.561 -13.894 1.00 0.00 H new ATOM 0 HD2 ARG B 405 1.624 -22.280 -15.808 1.00 0.00 H new ATOM 0 HD3 ARG B 405 0.338 -22.799 -14.737 1.00 0.00 H new ATOM 0 HE ARG B 405 0.604 -19.941 -14.584 1.00 0.00 H new ATOM 0 HH11 ARG B 405 -0.499 -22.524 -16.733 1.00 0.00 H new ATOM 0 HH12 ARG B 405 -1.678 -21.494 -17.551 1.00 0.00 H new ATOM 0 HH21 ARG B 405 -0.914 -18.633 -15.641 1.00 0.00 H new ATOM 0 HH22 ARG B 405 -1.912 -19.302 -16.936 1.00 0.00 H new ATOM 550 N PRO B 406 0.792 -22.559 -9.421 1.00 0.00 N ATOM 551 CA PRO B 406 0.381 -22.033 -8.115 1.00 0.00 C ATOM 552 C PRO B 406 1.479 -22.169 -7.061 1.00 0.00 C ATOM 553 O PRO B 406 1.737 -23.264 -6.562 1.00 0.00 O ATOM 554 CB PRO B 406 -0.821 -22.904 -7.746 1.00 0.00 C ATOM 555 CG PRO B 406 -1.385 -23.339 -9.054 1.00 0.00 C ATOM 556 CD PRO B 406 -0.213 -23.480 -9.986 1.00 0.00 C ATOM 0 HA PRO B 406 0.158 -20.967 -8.158 1.00 0.00 H new ATOM 0 HB2 PRO B 406 -0.520 -23.759 -7.140 1.00 0.00 H new ATOM 0 HB3 PRO B 406 -1.553 -22.343 -7.165 1.00 0.00 H new ATOM 0 HG2 PRO B 406 -1.919 -24.284 -8.953 1.00 0.00 H new ATOM 0 HG3 PRO B 406 -2.099 -22.608 -9.433 1.00 0.00 H new ATOM 0 HD2 PRO B 406 0.155 -24.506 -10.015 1.00 0.00 H new ATOM 0 HD3 PRO B 406 -0.478 -23.207 -11.007 1.00 0.00 H new ATOM 564 N PRO B 407 2.143 -21.054 -6.706 1.00 0.00 N ATOM 565 CA PRO B 407 3.216 -21.061 -5.707 1.00 0.00 C ATOM 566 C PRO B 407 2.691 -21.316 -4.295 1.00 0.00 C ATOM 567 O PRO B 407 1.500 -21.154 -4.029 1.00 0.00 O ATOM 568 CB PRO B 407 3.810 -19.655 -5.810 1.00 0.00 C ATOM 569 CG PRO B 407 2.699 -18.813 -6.335 1.00 0.00 C ATOM 570 CD PRO B 407 1.903 -19.702 -7.249 1.00 0.00 C ATOM 0 HA PRO B 407 3.938 -21.856 -5.891 1.00 0.00 H new ATOM 0 HB2 PRO B 407 4.153 -19.298 -4.839 1.00 0.00 H new ATOM 0 HB3 PRO B 407 4.671 -19.637 -6.478 1.00 0.00 H new ATOM 0 HG2 PRO B 407 2.079 -18.433 -5.523 1.00 0.00 H new ATOM 0 HG3 PRO B 407 3.086 -17.947 -6.872 1.00 0.00 H new ATOM 0 HD2 PRO B 407 0.844 -19.446 -7.236 1.00 0.00 H new ATOM 0 HD3 PRO B 407 2.238 -19.619 -8.283 1.00 0.00 H new ATOM 578 N PRO B 408 3.579 -21.720 -3.370 1.00 0.00 N ATOM 579 CA PRO B 408 3.198 -21.997 -1.981 1.00 0.00 C ATOM 580 C PRO B 408 2.835 -20.729 -1.216 1.00 0.00 C ATOM 581 O PRO B 408 3.637 -19.800 -1.118 1.00 0.00 O ATOM 582 CB PRO B 408 4.456 -22.637 -1.389 1.00 0.00 C ATOM 583 CG PRO B 408 5.575 -22.109 -2.218 1.00 0.00 C ATOM 584 CD PRO B 408 5.018 -21.937 -3.604 1.00 0.00 C ATOM 0 HA PRO B 408 2.312 -22.629 -1.920 1.00 0.00 H new ATOM 0 HB2 PRO B 408 4.580 -22.369 -0.340 1.00 0.00 H new ATOM 0 HB3 PRO B 408 4.407 -23.725 -1.437 1.00 0.00 H new ATOM 0 HG2 PRO B 408 5.939 -21.161 -1.823 1.00 0.00 H new ATOM 0 HG3 PRO B 408 6.419 -22.799 -2.219 1.00 0.00 H new ATOM 0 HD2 PRO B 408 5.474 -21.090 -4.118 1.00 0.00 H new ATOM 0 HD3 PRO B 408 5.196 -22.818 -4.221 1.00 0.00 H new ATOM 592 N ALA B 409 1.622 -20.698 -0.675 1.00 0.00 N ATOM 593 CA ALA B 409 1.153 -19.544 0.082 1.00 0.00 C ATOM 594 C ALA B 409 0.508 -19.974 1.396 1.00 0.00 C ATOM 595 O ALA B 409 -0.550 -20.601 1.403 1.00 0.00 O ATOM 596 CB ALA B 409 0.170 -18.732 -0.749 1.00 0.00 C ATOM 0 H ALA B 409 0.946 -21.459 -0.747 1.00 0.00 H new ATOM 0 HA ALA B 409 2.015 -18.920 0.318 1.00 0.00 H new ATOM 0 HB1 ALA B 409 -0.172 -17.873 -0.171 1.00 0.00 H new ATOM 0 HB2 ALA B 409 0.662 -18.385 -1.658 1.00 0.00 H new ATOM 0 HB3 ALA B 409 -0.684 -19.355 -1.014 1.00 0.00 H new ATOM 602 N HIS B 410 1.154 -19.631 2.505 1.00 0.00 N ATOM 603 CA HIS B 410 0.645 -19.983 3.826 1.00 0.00 C ATOM 604 C HIS B 410 0.073 -18.757 4.531 1.00 0.00 C ATOM 605 O HIS B 410 -1.139 -18.646 4.720 1.00 0.00 O ATOM 606 CB HIS B 410 1.755 -20.603 4.675 1.00 0.00 C ATOM 607 CG HIS B 410 1.850 -22.091 4.543 1.00 0.00 C ATOM 608 ND1 HIS B 410 0.894 -22.953 5.040 1.00 0.00 N ATOM 609 CD2 HIS B 410 2.792 -22.871 3.963 1.00 0.00 C ATOM 610 CE1 HIS B 410 1.247 -24.198 4.774 1.00 0.00 C ATOM 611 NE2 HIS B 410 2.394 -24.175 4.121 1.00 0.00 N ATOM 0 H HIS B 410 2.031 -19.110 2.516 1.00 0.00 H new ATOM 0 HA HIS B 410 -0.154 -20.713 3.698 1.00 0.00 H new ATOM 0 HB2 HIS B 410 2.709 -20.160 4.390 1.00 0.00 H new ATOM 0 HB3 HIS B 410 1.585 -20.350 5.721 1.00 0.00 H new ATOM 0 HD2 HIS B 410 3.690 -22.531 3.468 1.00 0.00 H new ATOM 0 HE1 HIS B 410 0.692 -25.084 5.045 1.00 0.00 H new ATOM 0 HE2 HIS B 410 2.902 -24.994 3.788 1.00 0.00 H new ATOM 620 N HIS B 411 0.952 -17.839 4.918 1.00 0.00 N ATOM 621 CA HIS B 411 0.534 -16.622 5.603 1.00 0.00 C ATOM 622 C HIS B 411 1.184 -15.393 4.974 1.00 0.00 C ATOM 623 O HIS B 411 2.385 -15.169 5.122 1.00 0.00 O ATOM 624 CB HIS B 411 0.894 -16.698 7.089 1.00 0.00 C ATOM 625 CG HIS B 411 -0.125 -16.066 7.984 1.00 0.00 C ATOM 626 ND1 HIS B 411 -1.465 -16.394 7.951 1.00 0.00 N ATOM 627 CD2 HIS B 411 0.003 -15.118 8.943 1.00 0.00 C ATOM 628 CE1 HIS B 411 -2.115 -15.677 8.850 1.00 0.00 C ATOM 629 NE2 HIS B 411 -1.247 -14.895 9.465 1.00 0.00 N ATOM 0 H HIS B 411 1.958 -17.915 4.769 1.00 0.00 H new ATOM 0 HA HIS B 411 -0.548 -16.532 5.502 1.00 0.00 H new ATOM 0 HB2 HIS B 411 1.016 -17.744 7.372 1.00 0.00 H new ATOM 0 HB3 HIS B 411 1.856 -16.211 7.247 1.00 0.00 H new ATOM 0 HD2 HIS B 411 0.918 -14.629 9.241 1.00 0.00 H new ATOM 0 HE1 HIS B 411 -3.176 -15.723 9.048 1.00 0.00 H new ATOM 0 HE2 HIS B 411 -1.469 -14.232 10.208 1.00 0.00 H new ATOM 638 N ASN B 412 0.381 -14.600 4.273 1.00 0.00 N ATOM 639 CA ASN B 412 0.877 -13.394 3.620 1.00 0.00 C ATOM 640 C ASN B 412 -0.262 -12.627 2.956 1.00 0.00 C ATOM 641 O ASN B 412 -0.736 -13.005 1.885 1.00 0.00 O ATOM 642 CB ASN B 412 1.941 -13.752 2.581 1.00 0.00 C ATOM 643 CG ASN B 412 2.812 -12.566 2.215 1.00 0.00 C ATOM 644 OD1 ASN B 412 2.327 -11.443 2.078 1.00 0.00 O ATOM 645 ND2 ASN B 412 4.108 -12.811 2.052 1.00 0.00 N ATOM 0 H ASN B 412 -0.616 -14.771 4.142 1.00 0.00 H new ATOM 0 HA ASN B 412 1.324 -12.756 4.382 1.00 0.00 H new ATOM 0 HB2 ASN B 412 2.568 -14.554 2.969 1.00 0.00 H new ATOM 0 HB3 ASN B 412 1.455 -14.133 1.683 1.00 0.00 H new ATOM 0 HD21 ASN B 412 4.743 -12.053 1.803 1.00 0.00 H new ATOM 0 HD22 ASN B 412 4.468 -13.758 2.175 1.00 0.00 H new ATOM 652 N MET B 413 -0.694 -11.547 3.598 1.00 0.00 N ATOM 653 CA MET B 413 -1.778 -10.727 3.069 1.00 0.00 C ATOM 654 C MET B 413 -1.433 -9.243 3.162 1.00 0.00 C ATOM 655 O MET B 413 -1.343 -8.552 2.148 1.00 0.00 O ATOM 656 CB MET B 413 -3.077 -11.008 3.826 1.00 0.00 C ATOM 657 CG MET B 413 -3.878 -12.164 3.250 1.00 0.00 C ATOM 658 SD MET B 413 -5.106 -12.803 4.407 1.00 0.00 S ATOM 659 CE MET B 413 -6.228 -11.411 4.512 1.00 0.00 C ATOM 0 H MET B 413 -0.311 -11.219 4.485 1.00 0.00 H new ATOM 0 HA MET B 413 -1.915 -10.986 2.019 1.00 0.00 H new ATOM 0 HB2 MET B 413 -2.841 -11.224 4.868 1.00 0.00 H new ATOM 0 HB3 MET B 413 -3.694 -10.110 3.818 1.00 0.00 H new ATOM 0 HG2 MET B 413 -4.379 -11.836 2.339 1.00 0.00 H new ATOM 0 HG3 MET B 413 -3.198 -12.967 2.968 1.00 0.00 H new ATOM 0 HE1 MET B 413 -7.072 -11.671 5.151 1.00 0.00 H new ATOM 0 HE2 MET B 413 -5.705 -10.553 4.934 1.00 0.00 H new ATOM 0 HE3 MET B 413 -6.591 -11.160 3.515 1.00 0.00 H new ATOM 669 N PHE B 414 -1.240 -8.763 4.386 1.00 0.00 N ATOM 670 CA PHE B 414 -0.904 -7.362 4.612 1.00 0.00 C ATOM 671 C PHE B 414 0.173 -7.225 5.683 1.00 0.00 C ATOM 672 O PHE B 414 0.222 -6.228 6.405 1.00 0.00 O ATOM 673 CB PHE B 414 -2.153 -6.576 5.021 1.00 0.00 C ATOM 674 CG PHE B 414 -2.035 -5.095 4.798 1.00 0.00 C ATOM 675 CD1 PHE B 414 -1.903 -4.580 3.516 1.00 0.00 C ATOM 676 CD2 PHE B 414 -2.053 -4.215 5.869 1.00 0.00 C ATOM 677 CE1 PHE B 414 -1.792 -3.223 3.311 1.00 0.00 C ATOM 678 CE2 PHE B 414 -1.943 -2.852 5.666 1.00 0.00 C ATOM 679 CZ PHE B 414 -1.813 -2.355 4.384 1.00 0.00 C ATOM 0 H PHE B 414 -1.310 -9.323 5.236 1.00 0.00 H new ATOM 0 HA PHE B 414 -0.515 -6.953 3.680 1.00 0.00 H new ATOM 0 HB2 PHE B 414 -3.008 -6.952 4.459 1.00 0.00 H new ATOM 0 HB3 PHE B 414 -2.358 -6.760 6.075 1.00 0.00 H new ATOM 0 HD1 PHE B 414 -1.887 -5.251 2.670 1.00 0.00 H new ATOM 0 HD2 PHE B 414 -2.154 -4.599 6.873 1.00 0.00 H new ATOM 0 HE1 PHE B 414 -1.688 -2.837 2.308 1.00 0.00 H new ATOM 0 HE2 PHE B 414 -1.959 -2.177 6.509 1.00 0.00 H new ATOM 0 HZ PHE B 414 -1.728 -1.291 4.222 1.00 0.00 H new ATOM 689 N SER B 415 1.036 -8.233 5.782 1.00 0.00 N ATOM 690 CA SER B 415 2.114 -8.222 6.765 1.00 0.00 C ATOM 691 C SER B 415 3.267 -7.338 6.296 1.00 0.00 C ATOM 692 O SER B 415 3.379 -6.183 6.705 1.00 0.00 O ATOM 693 CB SER B 415 2.612 -9.647 7.023 1.00 0.00 C ATOM 694 OG SER B 415 2.409 -10.472 5.889 1.00 0.00 O ATOM 0 H SER B 415 1.009 -9.066 5.194 1.00 0.00 H new ATOM 0 HA SER B 415 1.723 -7.811 7.696 1.00 0.00 H new ATOM 0 HB2 SER B 415 3.672 -9.625 7.275 1.00 0.00 H new ATOM 0 HB3 SER B 415 2.089 -10.068 7.881 1.00 0.00 H new ATOM 0 HG SER B 415 2.737 -11.376 6.079 1.00 0.00 H new ATOM 700 N VAL B 416 4.118 -7.884 5.430 1.00 0.00 N ATOM 701 CA VAL B 416 5.253 -7.135 4.905 1.00 0.00 C ATOM 702 C VAL B 416 5.840 -7.815 3.664 1.00 0.00 C ATOM 703 O VAL B 416 7.041 -8.069 3.587 1.00 0.00 O ATOM 704 CB VAL B 416 6.353 -6.952 5.972 1.00 0.00 C ATOM 705 CG1 VAL B 416 7.038 -8.275 6.286 1.00 0.00 C ATOM 706 CG2 VAL B 416 7.364 -5.908 5.519 1.00 0.00 C ATOM 0 H VAL B 416 4.042 -8.839 5.079 1.00 0.00 H new ATOM 0 HA VAL B 416 4.881 -6.150 4.622 1.00 0.00 H new ATOM 0 HB VAL B 416 5.883 -6.598 6.889 1.00 0.00 H new ATOM 0 HG11 VAL B 416 7.808 -8.116 7.041 1.00 0.00 H new ATOM 0 HG12 VAL B 416 6.302 -8.985 6.663 1.00 0.00 H new ATOM 0 HG13 VAL B 416 7.495 -8.672 5.380 1.00 0.00 H new ATOM 0 HG21 VAL B 416 8.133 -5.791 6.283 1.00 0.00 H new ATOM 0 HG22 VAL B 416 7.826 -6.230 4.585 1.00 0.00 H new ATOM 0 HG23 VAL B 416 6.858 -4.955 5.364 1.00 0.00 H new ATOM 716 N PRO B 417 4.986 -8.101 2.664 1.00 0.00 N ATOM 717 CA PRO B 417 5.404 -8.737 1.408 1.00 0.00 C ATOM 718 C PRO B 417 6.442 -7.902 0.666 1.00 0.00 C ATOM 719 O PRO B 417 6.476 -6.680 0.808 1.00 0.00 O ATOM 720 CB PRO B 417 4.108 -8.833 0.592 1.00 0.00 C ATOM 721 CG PRO B 417 3.183 -7.846 1.216 1.00 0.00 C ATOM 722 CD PRO B 417 3.542 -7.811 2.672 1.00 0.00 C ATOM 0 HA PRO B 417 5.876 -9.704 1.580 1.00 0.00 H new ATOM 0 HB2 PRO B 417 4.285 -8.599 -0.458 1.00 0.00 H new ATOM 0 HB3 PRO B 417 3.693 -9.840 0.628 1.00 0.00 H new ATOM 0 HG2 PRO B 417 3.297 -6.862 0.762 1.00 0.00 H new ATOM 0 HG3 PRO B 417 2.143 -8.143 1.077 1.00 0.00 H new ATOM 0 HD2 PRO B 417 3.328 -6.839 3.117 1.00 0.00 H new ATOM 0 HD3 PRO B 417 2.984 -8.553 3.243 1.00 0.00 H new ATOM 730 N PRO B 418 7.313 -8.543 -0.136 1.00 0.00 N ATOM 731 CA PRO B 418 8.349 -7.823 -0.881 1.00 0.00 C ATOM 732 C PRO B 418 7.727 -6.767 -1.788 1.00 0.00 C ATOM 733 O PRO B 418 6.667 -6.992 -2.373 1.00 0.00 O ATOM 734 CB PRO B 418 9.023 -8.919 -1.714 1.00 0.00 C ATOM 735 CG PRO B 418 8.713 -10.192 -1.002 1.00 0.00 C ATOM 736 CD PRO B 418 7.364 -9.995 -0.369 1.00 0.00 C ATOM 0 HA PRO B 418 9.046 -7.293 -0.231 1.00 0.00 H new ATOM 0 HB2 PRO B 418 8.637 -8.933 -2.733 1.00 0.00 H new ATOM 0 HB3 PRO B 418 10.099 -8.757 -1.782 1.00 0.00 H new ATOM 0 HG2 PRO B 418 8.700 -11.033 -1.695 1.00 0.00 H new ATOM 0 HG3 PRO B 418 9.469 -10.412 -0.248 1.00 0.00 H new ATOM 0 HD2 PRO B 418 6.559 -10.326 -1.025 1.00 0.00 H new ATOM 0 HD3 PRO B 418 7.269 -10.556 0.561 1.00 0.00 H new ATOM 744 N PRO B 419 8.346 -5.576 -1.884 1.00 0.00 N ATOM 745 CA PRO B 419 7.800 -4.478 -2.688 1.00 0.00 C ATOM 746 C PRO B 419 7.871 -4.718 -4.199 1.00 0.00 C ATOM 747 O PRO B 419 8.885 -5.186 -4.717 1.00 0.00 O ATOM 748 CB PRO B 419 8.684 -3.278 -2.309 1.00 0.00 C ATOM 749 CG PRO B 419 9.464 -3.701 -1.110 1.00 0.00 C ATOM 750 CD PRO B 419 9.583 -5.191 -1.192 1.00 0.00 C ATOM 0 HA PRO B 419 6.738 -4.344 -2.483 1.00 0.00 H new ATOM 0 HB2 PRO B 419 9.348 -3.008 -3.130 1.00 0.00 H new ATOM 0 HB3 PRO B 419 8.076 -2.400 -2.089 1.00 0.00 H new ATOM 0 HG2 PRO B 419 10.448 -3.232 -1.101 1.00 0.00 H new ATOM 0 HG3 PRO B 419 8.959 -3.401 -0.192 1.00 0.00 H new ATOM 0 HD2 PRO B 419 10.470 -5.496 -1.748 1.00 0.00 H new ATOM 0 HD3 PRO B 419 9.653 -5.647 -0.204 1.00 0.00 H new ATOM 758 N PRO B 420 6.785 -4.377 -4.927 1.00 0.00 N ATOM 759 CA PRO B 420 6.709 -4.528 -6.383 1.00 0.00 C ATOM 760 C PRO B 420 7.492 -3.451 -7.142 1.00 0.00 C ATOM 761 O PRO B 420 8.527 -3.737 -7.744 1.00 0.00 O ATOM 762 CB PRO B 420 5.207 -4.406 -6.696 1.00 0.00 C ATOM 763 CG PRO B 420 4.513 -4.293 -5.377 1.00 0.00 C ATOM 764 CD PRO B 420 5.540 -3.822 -4.390 1.00 0.00 C ATOM 0 HA PRO B 420 7.150 -5.474 -6.698 1.00 0.00 H new ATOM 0 HB2 PRO B 420 5.009 -3.532 -7.316 1.00 0.00 H new ATOM 0 HB3 PRO B 420 4.853 -5.276 -7.249 1.00 0.00 H new ATOM 0 HG2 PRO B 420 3.682 -3.591 -5.436 1.00 0.00 H new ATOM 0 HG3 PRO B 420 4.097 -5.254 -5.074 1.00 0.00 H new ATOM 0 HD2 PRO B 420 5.575 -2.734 -4.330 1.00 0.00 H new ATOM 0 HD3 PRO B 420 5.334 -4.190 -3.385 1.00 0.00 H new ATOM 772 N ILE B 421 6.977 -2.215 -7.134 1.00 0.00 N ATOM 773 CA ILE B 421 7.623 -1.113 -7.853 1.00 0.00 C ATOM 774 C ILE B 421 8.735 -0.457 -7.029 1.00 0.00 C ATOM 775 O ILE B 421 9.204 -1.025 -6.041 1.00 0.00 O ATOM 776 CB ILE B 421 6.591 -0.047 -8.343 1.00 0.00 C ATOM 777 CG1 ILE B 421 6.363 1.077 -7.301 1.00 0.00 C ATOM 778 CG2 ILE B 421 5.275 -0.720 -8.723 1.00 0.00 C ATOM 779 CD1 ILE B 421 4.906 1.363 -6.969 1.00 0.00 C ATOM 0 H ILE B 421 6.122 -1.956 -6.642 1.00 0.00 H new ATOM 0 HA ILE B 421 8.086 -1.556 -8.735 1.00 0.00 H new ATOM 0 HB ILE B 421 7.010 0.431 -9.228 1.00 0.00 H new ATOM 0 HG12 ILE B 421 6.883 0.810 -6.381 1.00 0.00 H new ATOM 0 HG13 ILE B 421 6.822 1.994 -7.672 1.00 0.00 H new ATOM 0 HG21 ILE B 421 4.565 0.034 -9.063 1.00 0.00 H new ATOM 0 HG22 ILE B 421 5.452 -1.438 -9.523 1.00 0.00 H new ATOM 0 HG23 ILE B 421 4.867 -1.237 -7.855 1.00 0.00 H new ATOM 0 HD11 ILE B 421 4.851 2.164 -6.232 1.00 0.00 H new ATOM 0 HD12 ILE B 421 4.379 1.666 -7.874 1.00 0.00 H new ATOM 0 HD13 ILE B 421 4.442 0.464 -6.563 1.00 0.00 H new ATOM 791 N LEU B 422 9.157 0.733 -7.446 1.00 0.00 N ATOM 792 CA LEU B 422 10.215 1.456 -6.749 1.00 0.00 C ATOM 793 C LEU B 422 10.456 2.813 -7.403 1.00 0.00 C ATOM 794 O LEU B 422 11.592 3.280 -7.493 1.00 0.00 O ATOM 795 CB LEU B 422 11.506 0.632 -6.742 1.00 0.00 C ATOM 796 CG LEU B 422 11.838 -0.039 -5.407 1.00 0.00 C ATOM 797 CD1 LEU B 422 12.503 -1.387 -5.637 1.00 0.00 C ATOM 798 CD2 LEU B 422 12.731 0.862 -4.569 1.00 0.00 C ATOM 0 H LEU B 422 8.783 1.217 -8.262 1.00 0.00 H new ATOM 0 HA LEU B 422 9.900 1.621 -5.719 1.00 0.00 H new ATOM 0 HB2 LEU B 422 11.432 -0.138 -7.510 1.00 0.00 H new ATOM 0 HB3 LEU B 422 12.335 1.282 -7.021 1.00 0.00 H new ATOM 0 HG LEU B 422 10.908 -0.205 -4.863 1.00 0.00 H new ATOM 0 HD11 LEU B 422 12.731 -1.849 -4.676 1.00 0.00 H new ATOM 0 HD12 LEU B 422 11.830 -2.034 -6.199 1.00 0.00 H new ATOM 0 HD13 LEU B 422 13.425 -1.246 -6.200 1.00 0.00 H new ATOM 0 HD21 LEU B 422 12.958 0.371 -3.623 1.00 0.00 H new ATOM 0 HD22 LEU B 422 13.658 1.058 -5.108 1.00 0.00 H new ATOM 0 HD23 LEU B 422 12.218 1.804 -4.375 1.00 0.00 H new ATOM 810 N GLY B 423 9.378 3.439 -7.862 1.00 0.00 N ATOM 811 CA GLY B 423 9.489 4.734 -8.504 1.00 0.00 C ATOM 812 C GLY B 423 8.772 5.828 -7.737 1.00 0.00 C ATOM 813 O GLY B 423 9.140 6.143 -6.605 1.00 0.00 O ATOM 0 H GLY B 423 8.428 3.072 -7.800 1.00 0.00 H new ATOM 0 HA2 GLY B 423 10.542 4.996 -8.605 1.00 0.00 H new ATOM 0 HA3 GLY B 423 9.078 4.672 -9.512 1.00 0.00 H new ATOM 817 N ARG B 424 7.748 6.407 -8.354 1.00 0.00 N ATOM 818 CA ARG B 424 6.978 7.471 -7.722 1.00 0.00 C ATOM 819 C ARG B 424 5.530 7.453 -8.201 1.00 0.00 C ATOM 820 O ARG B 424 5.132 6.580 -8.972 1.00 0.00 O ATOM 821 CB ARG B 424 7.609 8.832 -8.021 1.00 0.00 C ATOM 822 CG ARG B 424 8.652 9.258 -6.999 1.00 0.00 C ATOM 823 CD ARG B 424 8.074 10.229 -5.984 1.00 0.00 C ATOM 824 NE ARG B 424 6.789 9.772 -5.458 1.00 0.00 N ATOM 825 CZ ARG B 424 6.654 8.751 -4.615 1.00 0.00 C ATOM 826 NH1 ARG B 424 7.719 8.078 -4.199 1.00 0.00 N ATOM 827 NH2 ARG B 424 5.448 8.401 -4.187 1.00 0.00 N ATOM 0 H ARG B 424 7.432 6.157 -9.291 1.00 0.00 H new ATOM 0 HA ARG B 424 6.988 7.302 -6.645 1.00 0.00 H new ATOM 0 HB2 ARG B 424 8.071 8.800 -9.008 1.00 0.00 H new ATOM 0 HB3 ARG B 424 6.823 9.586 -8.062 1.00 0.00 H new ATOM 0 HG2 ARG B 424 9.038 8.379 -6.484 1.00 0.00 H new ATOM 0 HG3 ARG B 424 9.495 9.723 -7.510 1.00 0.00 H new ATOM 0 HD2 ARG B 424 8.778 10.355 -5.161 1.00 0.00 H new ATOM 0 HD3 ARG B 424 7.948 11.207 -6.449 1.00 0.00 H new ATOM 0 HE ARG B 424 5.946 10.264 -5.754 1.00 0.00 H new ATOM 0 HH11 ARG B 424 8.649 8.342 -4.525 1.00 0.00 H new ATOM 0 HH12 ARG B 424 7.608 7.297 -3.553 1.00 0.00 H new ATOM 0 HH21 ARG B 424 4.626 8.914 -4.504 1.00 0.00 H new ATOM 0 HH22 ARG B 424 5.343 7.619 -3.541 1.00 0.00 H new ATOM 841 N GLY B 425 4.747 8.422 -7.738 1.00 0.00 N ATOM 842 CA GLY B 425 3.351 8.498 -8.131 1.00 0.00 C ATOM 843 C GLY B 425 3.177 8.644 -9.629 1.00 0.00 C ATOM 844 O GLY B 425 2.904 9.773 -10.087 1.00 0.00 O ATOM 845 OXT GLY B 425 3.314 7.630 -10.344 1.00 0.00 O ATOM 0 H GLY B 425 5.053 9.155 -7.099 1.00 0.00 H new ATOM 0 HA2 GLY B 425 2.833 7.600 -7.794 1.00 0.00 H new ATOM 0 HA3 GLY B 425 2.881 9.344 -7.630 1.00 0.00 H new TER 849 GLY B 425