USER MOD reduce.3.24.130724 H: found=0, std=0, add=414, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 418 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 654 TYR OH : rot 114:sc= 0.704 USER MOD Single : A 655 SER OG : rot 36:sc= -5.08! USER MOD Single : A 657 GLN : amide:sc= -1.57 K(o=-1.6,f=-2.1) USER MOD Single : A 661 TYR OH : rot -14:sc= 0.374 USER MOD Single : A 662 TYR OH : rot -119:sc= 1.38 USER MOD Single : A 664 SER OG : rot 1:sc= 1.04 USER MOD Single : A 667 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 676 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 677 THR OG1 : rot 67:sc= -1.1! USER MOD Single : A 679 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 680 ASN : amide:sc= -1.71 X(o=-1.7,f=-2.1) USER MOD Single : A 681 LYS NZ :NH3+ 165:sc= -0.059 (180deg=-0.318) USER MOD Single : A 682 GLN : amide:sc= -0.064 X(o=-0.064,f=0) USER MOD Single : A 683 ASN : amide:sc= -0.59 X(o=-0.59,f=-0.36) USER MOD Single : B 410 HIS : no HE2:sc= -4.03 K(o=-4,f=-2.3) USER MOD Single : B 411 HIS : no HE2:sc= -1.74 K(o=-1.7,f=-2.8) USER MOD Single : B 412 ASN : amide:sc= -0.0368 K(o=-0.037,f=-1.3) USER MOD Single : B 413 MET CE :methyl 167:sc= -0.0236 (180deg=-0.25) USER MOD Single : B 415 SER OG : rot 180:sc= 0.129 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 651 7.849 3.147 15.118 1.00 0.00 N ATOM 2 CA GLY A 651 6.443 2.726 14.863 1.00 0.00 C ATOM 3 C GLY A 651 6.322 1.795 13.673 1.00 0.00 C ATOM 4 O GLY A 651 6.801 0.662 13.712 1.00 0.00 O ATOM 0 HA2 GLY A 651 6.049 2.230 15.750 1.00 0.00 H new ATOM 0 HA3 GLY A 651 5.828 3.610 14.693 1.00 0.00 H new ATOM 9 N ALA A 652 5.681 2.275 12.612 1.00 0.00 N ATOM 10 CA ALA A 652 5.499 1.478 11.405 1.00 0.00 C ATOM 11 C ALA A 652 4.878 2.309 10.287 1.00 0.00 C ATOM 12 O ALA A 652 4.008 1.834 9.556 1.00 0.00 O ATOM 13 CB ALA A 652 4.637 0.260 11.703 1.00 0.00 C ATOM 0 H ALA A 652 5.279 3.211 12.564 1.00 0.00 H new ATOM 0 HA ALA A 652 6.480 1.142 11.069 1.00 0.00 H new ATOM 0 HB1 ALA A 652 4.509 -0.326 10.793 1.00 0.00 H new ATOM 0 HB2 ALA A 652 5.122 -0.352 12.464 1.00 0.00 H new ATOM 0 HB3 ALA A 652 3.662 0.584 12.066 1.00 0.00 H new ATOM 19 N ASP A 653 5.329 3.552 10.160 1.00 0.00 N ATOM 20 CA ASP A 653 4.818 4.449 9.131 1.00 0.00 C ATOM 21 C ASP A 653 5.325 4.041 7.752 1.00 0.00 C ATOM 22 O ASP A 653 6.216 4.681 7.192 1.00 0.00 O ATOM 23 CB ASP A 653 5.226 5.893 9.433 1.00 0.00 C ATOM 24 CG ASP A 653 4.368 6.903 8.697 1.00 0.00 C ATOM 25 OD1 ASP A 653 3.326 7.313 9.252 1.00 0.00 O ATOM 26 OD2 ASP A 653 4.738 7.284 7.567 1.00 0.00 O ATOM 0 H ASP A 653 6.048 3.961 10.757 1.00 0.00 H new ATOM 0 HA ASP A 653 3.730 4.380 9.132 1.00 0.00 H new ATOM 0 HB2 ASP A 653 5.153 6.071 10.506 1.00 0.00 H new ATOM 0 HB3 ASP A 653 6.270 6.038 9.157 1.00 0.00 H new ATOM 31 N TYR A 654 4.753 2.971 7.209 1.00 0.00 N ATOM 32 CA TYR A 654 5.150 2.477 5.892 1.00 0.00 C ATOM 33 C TYR A 654 3.991 2.531 4.902 1.00 0.00 C ATOM 34 O TYR A 654 4.205 2.546 3.691 1.00 0.00 O ATOM 35 CB TYR A 654 5.690 1.044 5.990 1.00 0.00 C ATOM 36 CG TYR A 654 4.644 -0.002 6.327 1.00 0.00 C ATOM 37 CD1 TYR A 654 3.531 0.314 7.098 1.00 0.00 C ATOM 38 CD2 TYR A 654 4.772 -1.313 5.875 1.00 0.00 C ATOM 39 CE1 TYR A 654 2.585 -0.627 7.409 1.00 0.00 C ATOM 40 CE2 TYR A 654 3.821 -2.268 6.185 1.00 0.00 C ATOM 41 CZ TYR A 654 2.728 -1.920 6.953 1.00 0.00 C ATOM 42 OH TYR A 654 1.779 -2.867 7.264 1.00 0.00 O ATOM 0 H TYR A 654 4.015 2.429 7.658 1.00 0.00 H new ATOM 0 HA TYR A 654 5.942 3.130 5.524 1.00 0.00 H new ATOM 0 HB2 TYR A 654 6.157 0.780 5.041 1.00 0.00 H new ATOM 0 HB3 TYR A 654 6.472 1.015 6.749 1.00 0.00 H new ATOM 0 HD1 TYR A 654 3.409 1.324 7.460 1.00 0.00 H new ATOM 0 HD2 TYR A 654 5.626 -1.588 5.274 1.00 0.00 H new ATOM 0 HE1 TYR A 654 1.729 -0.356 8.010 1.00 0.00 H new ATOM 0 HE2 TYR A 654 3.933 -3.281 5.828 1.00 0.00 H new ATOM 0 HH TYR A 654 1.314 -3.144 6.447 1.00 0.00 H new ATOM 52 N SER A 655 2.766 2.568 5.422 1.00 0.00 N ATOM 53 CA SER A 655 1.574 2.624 4.583 1.00 0.00 C ATOM 54 C SER A 655 1.719 3.661 3.476 1.00 0.00 C ATOM 55 O SER A 655 1.115 3.534 2.417 1.00 0.00 O ATOM 56 CB SER A 655 0.348 2.937 5.438 1.00 0.00 C ATOM 57 OG SER A 655 0.714 3.593 6.641 1.00 0.00 O ATOM 0 H SER A 655 2.574 2.560 6.424 1.00 0.00 H new ATOM 0 HA SER A 655 1.448 1.649 4.113 1.00 0.00 H new ATOM 0 HB2 SER A 655 -0.341 3.565 4.874 1.00 0.00 H new ATOM 0 HB3 SER A 655 -0.181 2.013 5.671 1.00 0.00 H new ATOM 0 HG SER A 655 1.469 4.194 6.469 1.00 0.00 H new ATOM 63 N ALA A 656 2.526 4.687 3.717 1.00 0.00 N ATOM 64 CA ALA A 656 2.732 5.722 2.717 1.00 0.00 C ATOM 65 C ALA A 656 3.386 5.143 1.484 1.00 0.00 C ATOM 66 O ALA A 656 2.779 5.074 0.415 1.00 0.00 O ATOM 67 CB ALA A 656 3.582 6.852 3.270 1.00 0.00 C ATOM 0 H ALA A 656 3.042 4.822 4.586 1.00 0.00 H new ATOM 0 HA ALA A 656 1.756 6.124 2.446 1.00 0.00 H new ATOM 0 HB1 ALA A 656 3.721 7.613 2.502 1.00 0.00 H new ATOM 0 HB2 ALA A 656 3.083 7.294 4.132 1.00 0.00 H new ATOM 0 HB3 ALA A 656 4.553 6.462 3.574 1.00 0.00 H new ATOM 73 N GLN A 657 4.626 4.717 1.642 1.00 0.00 N ATOM 74 CA GLN A 657 5.355 4.132 0.537 1.00 0.00 C ATOM 75 C GLN A 657 4.785 2.760 0.202 1.00 0.00 C ATOM 76 O GLN A 657 5.023 2.223 -0.879 1.00 0.00 O ATOM 77 CB GLN A 657 6.845 4.025 0.867 1.00 0.00 C ATOM 78 CG GLN A 657 7.749 4.168 -0.347 1.00 0.00 C ATOM 79 CD GLN A 657 9.209 3.922 -0.020 1.00 0.00 C ATOM 80 OE1 GLN A 657 9.557 3.603 1.118 1.00 0.00 O ATOM 81 NE2 GLN A 657 10.072 4.070 -1.017 1.00 0.00 N ATOM 0 H GLN A 657 5.144 4.765 2.519 1.00 0.00 H new ATOM 0 HA GLN A 657 5.245 4.781 -0.332 1.00 0.00 H new ATOM 0 HB2 GLN A 657 7.104 4.794 1.595 1.00 0.00 H new ATOM 0 HB3 GLN A 657 7.036 3.062 1.340 1.00 0.00 H new ATOM 0 HG2 GLN A 657 7.430 3.466 -1.117 1.00 0.00 H new ATOM 0 HG3 GLN A 657 7.637 5.170 -0.762 1.00 0.00 H new ATOM 0 HE21 GLN A 657 9.740 4.335 -1.944 1.00 0.00 H new ATOM 0 HE22 GLN A 657 11.068 3.918 -0.856 1.00 0.00 H new ATOM 90 N TRP A 658 4.016 2.197 1.133 1.00 0.00 N ATOM 91 CA TRP A 658 3.403 0.900 0.912 1.00 0.00 C ATOM 92 C TRP A 658 2.124 1.070 0.116 1.00 0.00 C ATOM 93 O TRP A 658 1.793 0.238 -0.725 1.00 0.00 O ATOM 94 CB TRP A 658 3.118 0.187 2.237 1.00 0.00 C ATOM 95 CG TRP A 658 4.128 -0.870 2.560 1.00 0.00 C ATOM 96 CD1 TRP A 658 3.884 -2.105 3.088 1.00 0.00 C ATOM 97 CD2 TRP A 658 5.546 -0.786 2.371 1.00 0.00 C ATOM 98 NE1 TRP A 658 5.062 -2.795 3.236 1.00 0.00 N ATOM 99 CE2 TRP A 658 6.096 -2.006 2.803 1.00 0.00 C ATOM 100 CE3 TRP A 658 6.404 0.200 1.876 1.00 0.00 C ATOM 101 CZ2 TRP A 658 7.462 -2.264 2.756 1.00 0.00 C ATOM 102 CZ3 TRP A 658 7.760 -0.057 1.830 1.00 0.00 C ATOM 103 CH2 TRP A 658 8.278 -1.281 2.267 1.00 0.00 C ATOM 0 H TRP A 658 3.807 2.619 2.038 1.00 0.00 H new ATOM 0 HA TRP A 658 4.100 0.281 0.347 1.00 0.00 H new ATOM 0 HB2 TRP A 658 3.099 0.922 3.042 1.00 0.00 H new ATOM 0 HB3 TRP A 658 2.127 -0.265 2.194 1.00 0.00 H new ATOM 0 HD1 TRP A 658 2.907 -2.484 3.351 1.00 0.00 H new ATOM 0 HE1 TRP A 658 5.153 -3.741 3.608 1.00 0.00 H new ATOM 0 HE3 TRP A 658 6.013 1.147 1.535 1.00 0.00 H new ATOM 0 HZ2 TRP A 658 7.864 -3.208 3.094 1.00 0.00 H new ATOM 0 HZ3 TRP A 658 8.431 0.699 1.451 1.00 0.00 H new ATOM 0 HH2 TRP A 658 9.343 -1.453 2.217 1.00 0.00 H new ATOM 114 N ALA A 659 1.419 2.170 0.362 1.00 0.00 N ATOM 115 CA ALA A 659 0.197 2.443 -0.368 1.00 0.00 C ATOM 116 C ALA A 659 0.542 2.842 -1.793 1.00 0.00 C ATOM 117 O ALA A 659 -0.177 2.507 -2.732 1.00 0.00 O ATOM 118 CB ALA A 659 -0.619 3.533 0.314 1.00 0.00 C ATOM 0 H ALA A 659 1.673 2.876 1.053 1.00 0.00 H new ATOM 0 HA ALA A 659 -0.414 1.540 -0.384 1.00 0.00 H new ATOM 0 HB1 ALA A 659 -1.530 3.716 -0.256 1.00 0.00 H new ATOM 0 HB2 ALA A 659 -0.880 3.214 1.323 1.00 0.00 H new ATOM 0 HB3 ALA A 659 -0.032 4.450 0.364 1.00 0.00 H new ATOM 124 N GLU A 660 1.671 3.541 -1.950 1.00 0.00 N ATOM 125 CA GLU A 660 2.123 3.960 -3.271 1.00 0.00 C ATOM 126 C GLU A 660 2.211 2.751 -4.189 1.00 0.00 C ATOM 127 O GLU A 660 2.028 2.855 -5.402 1.00 0.00 O ATOM 128 CB GLU A 660 3.481 4.672 -3.199 1.00 0.00 C ATOM 129 CG GLU A 660 4.682 3.745 -3.059 1.00 0.00 C ATOM 130 CD GLU A 660 5.636 3.846 -4.234 1.00 0.00 C ATOM 131 OE1 GLU A 660 5.706 4.931 -4.849 1.00 0.00 O ATOM 132 OE2 GLU A 660 6.315 2.842 -4.536 1.00 0.00 O ATOM 0 H GLU A 660 2.281 3.824 -1.183 1.00 0.00 H new ATOM 0 HA GLU A 660 1.398 4.669 -3.671 1.00 0.00 H new ATOM 0 HB2 GLU A 660 3.608 5.274 -4.099 1.00 0.00 H new ATOM 0 HB3 GLU A 660 3.470 5.360 -2.354 1.00 0.00 H new ATOM 0 HG2 GLU A 660 5.217 3.985 -2.140 1.00 0.00 H new ATOM 0 HG3 GLU A 660 4.334 2.716 -2.966 1.00 0.00 H new ATOM 139 N TYR A 661 2.483 1.600 -3.586 1.00 0.00 N ATOM 140 CA TYR A 661 2.587 0.357 -4.326 1.00 0.00 C ATOM 141 C TYR A 661 1.217 -0.081 -4.795 1.00 0.00 C ATOM 142 O TYR A 661 0.951 -0.160 -5.992 1.00 0.00 O ATOM 143 CB TYR A 661 3.219 -0.717 -3.446 1.00 0.00 C ATOM 144 CG TYR A 661 4.711 -0.567 -3.347 1.00 0.00 C ATOM 145 CD1 TYR A 661 5.468 -0.437 -4.494 1.00 0.00 C ATOM 146 CD2 TYR A 661 5.359 -0.543 -2.120 1.00 0.00 C ATOM 147 CE1 TYR A 661 6.830 -0.289 -4.436 1.00 0.00 C ATOM 148 CE2 TYR A 661 6.730 -0.395 -2.045 1.00 0.00 C ATOM 149 CZ TYR A 661 7.465 -0.268 -3.210 1.00 0.00 C ATOM 150 OH TYR A 661 8.832 -0.120 -3.148 1.00 0.00 O ATOM 0 H TYR A 661 2.635 1.506 -2.582 1.00 0.00 H new ATOM 0 HA TYR A 661 3.220 0.510 -5.200 1.00 0.00 H new ATOM 0 HB2 TYR A 661 2.784 -0.668 -2.448 1.00 0.00 H new ATOM 0 HB3 TYR A 661 2.981 -1.701 -3.850 1.00 0.00 H new ATOM 0 HD1 TYR A 661 4.978 -0.452 -5.456 1.00 0.00 H new ATOM 0 HD2 TYR A 661 4.783 -0.641 -1.212 1.00 0.00 H new ATOM 0 HE1 TYR A 661 7.404 -0.189 -5.346 1.00 0.00 H new ATOM 0 HE2 TYR A 661 7.224 -0.379 -1.085 1.00 0.00 H new ATOM 0 HH TYR A 661 9.217 -0.261 -4.038 1.00 0.00 H new ATOM 160 N TYR A 662 0.342 -0.341 -3.839 1.00 0.00 N ATOM 161 CA TYR A 662 -1.017 -0.750 -4.142 1.00 0.00 C ATOM 162 C TYR A 662 -1.711 0.306 -4.985 1.00 0.00 C ATOM 163 O TYR A 662 -2.666 0.012 -5.698 1.00 0.00 O ATOM 164 CB TYR A 662 -1.776 -1.004 -2.846 1.00 0.00 C ATOM 165 CG TYR A 662 -0.988 -1.859 -1.891 1.00 0.00 C ATOM 166 CD1 TYR A 662 -0.817 -3.217 -2.119 1.00 0.00 C ATOM 167 CD2 TYR A 662 -0.388 -1.299 -0.779 1.00 0.00 C ATOM 168 CE1 TYR A 662 -0.072 -3.993 -1.256 1.00 0.00 C ATOM 169 CE2 TYR A 662 0.360 -2.059 0.088 1.00 0.00 C ATOM 170 CZ TYR A 662 0.518 -3.409 -0.151 1.00 0.00 C ATOM 171 OH TYR A 662 1.265 -4.177 0.713 1.00 0.00 O ATOM 0 H TYR A 662 0.550 -0.276 -2.843 1.00 0.00 H new ATOM 0 HA TYR A 662 -0.996 -1.675 -4.718 1.00 0.00 H new ATOM 0 HB2 TYR A 662 -2.011 -0.052 -2.371 1.00 0.00 H new ATOM 0 HB3 TYR A 662 -2.725 -1.491 -3.071 1.00 0.00 H new ATOM 0 HD1 TYR A 662 -1.274 -3.673 -2.985 1.00 0.00 H new ATOM 0 HD2 TYR A 662 -0.509 -0.243 -0.588 1.00 0.00 H new ATOM 0 HE1 TYR A 662 0.050 -5.050 -1.442 1.00 0.00 H new ATOM 0 HE2 TYR A 662 0.821 -1.602 0.951 1.00 0.00 H new ATOM 0 HH TYR A 662 0.857 -4.158 1.604 1.00 0.00 H new ATOM 181 N ARG A 663 -1.211 1.537 -4.919 1.00 0.00 N ATOM 182 CA ARG A 663 -1.782 2.620 -5.698 1.00 0.00 C ATOM 183 C ARG A 663 -1.438 2.468 -7.176 1.00 0.00 C ATOM 184 O ARG A 663 -1.956 3.201 -8.019 1.00 0.00 O ATOM 185 CB ARG A 663 -1.299 3.979 -5.183 1.00 0.00 C ATOM 186 CG ARG A 663 -2.427 4.889 -4.725 1.00 0.00 C ATOM 187 CD ARG A 663 -2.404 5.093 -3.219 1.00 0.00 C ATOM 188 NE ARG A 663 -1.643 6.280 -2.838 1.00 0.00 N ATOM 189 CZ ARG A 663 -1.784 6.911 -1.675 1.00 0.00 C ATOM 190 NH1 ARG A 663 -2.652 6.471 -0.773 1.00 0.00 N ATOM 191 NH2 ARG A 663 -1.053 7.986 -1.412 1.00 0.00 N ATOM 0 H ARG A 663 -0.417 1.804 -4.337 1.00 0.00 H new ATOM 0 HA ARG A 663 -2.865 2.572 -5.587 1.00 0.00 H new ATOM 0 HB2 ARG A 663 -0.611 3.820 -4.353 1.00 0.00 H new ATOM 0 HB3 ARG A 663 -0.737 4.479 -5.972 1.00 0.00 H new ATOM 0 HG2 ARG A 663 -2.343 5.854 -5.225 1.00 0.00 H new ATOM 0 HG3 ARG A 663 -3.384 4.460 -5.020 1.00 0.00 H new ATOM 0 HD2 ARG A 663 -3.426 5.184 -2.850 1.00 0.00 H new ATOM 0 HD3 ARG A 663 -1.969 4.215 -2.741 1.00 0.00 H new ATOM 0 HE ARG A 663 -0.963 6.647 -3.503 1.00 0.00 H new ATOM 0 HH11 ARG A 663 -3.216 5.644 -0.969 1.00 0.00 H new ATOM 0 HH12 ARG A 663 -2.755 6.960 0.116 1.00 0.00 H new ATOM 0 HH21 ARG A 663 -0.383 8.328 -2.101 1.00 0.00 H new ATOM 0 HH22 ARG A 663 -1.160 8.470 -0.521 1.00 0.00 H new ATOM 205 N SER A 664 -0.562 1.516 -7.490 1.00 0.00 N ATOM 206 CA SER A 664 -0.164 1.285 -8.870 1.00 0.00 C ATOM 207 C SER A 664 0.356 -0.135 -9.082 1.00 0.00 C ATOM 208 O SER A 664 1.026 -0.420 -10.075 1.00 0.00 O ATOM 209 CB SER A 664 0.875 2.313 -9.289 1.00 0.00 C ATOM 210 OG SER A 664 1.518 1.937 -10.495 1.00 0.00 O ATOM 0 H SER A 664 -0.119 0.898 -6.810 1.00 0.00 H new ATOM 0 HA SER A 664 -1.047 1.397 -9.499 1.00 0.00 H new ATOM 0 HB2 SER A 664 0.397 3.284 -9.417 1.00 0.00 H new ATOM 0 HB3 SER A 664 1.617 2.425 -8.499 1.00 0.00 H new ATOM 0 HG SER A 664 1.142 1.091 -10.816 1.00 0.00 H new ATOM 216 N VAL A 665 0.018 -1.031 -8.160 1.00 0.00 N ATOM 217 CA VAL A 665 0.423 -2.424 -8.265 1.00 0.00 C ATOM 218 C VAL A 665 -0.802 -3.311 -8.488 1.00 0.00 C ATOM 219 O VAL A 665 -0.675 -4.500 -8.783 1.00 0.00 O ATOM 220 CB VAL A 665 1.208 -2.899 -7.015 1.00 0.00 C ATOM 221 CG1 VAL A 665 0.276 -3.361 -5.898 1.00 0.00 C ATOM 222 CG2 VAL A 665 2.181 -4.005 -7.391 1.00 0.00 C ATOM 0 H VAL A 665 -0.536 -0.814 -7.332 1.00 0.00 H new ATOM 0 HA VAL A 665 1.093 -2.507 -9.121 1.00 0.00 H new ATOM 0 HB VAL A 665 1.770 -2.046 -6.636 1.00 0.00 H new ATOM 0 HG11 VAL A 665 0.867 -3.685 -5.042 1.00 0.00 H new ATOM 0 HG12 VAL A 665 -0.372 -2.537 -5.600 1.00 0.00 H new ATOM 0 HG13 VAL A 665 -0.334 -4.192 -6.253 1.00 0.00 H new ATOM 0 HG21 VAL A 665 2.725 -4.328 -6.503 1.00 0.00 H new ATOM 0 HG22 VAL A 665 1.630 -4.849 -7.806 1.00 0.00 H new ATOM 0 HG23 VAL A 665 2.887 -3.632 -8.133 1.00 0.00 H new ATOM 232 N GLY A 666 -1.991 -2.718 -8.349 1.00 0.00 N ATOM 233 CA GLY A 666 -3.220 -3.462 -8.543 1.00 0.00 C ATOM 234 C GLY A 666 -4.073 -3.507 -7.292 1.00 0.00 C ATOM 235 O GLY A 666 -4.741 -4.505 -7.026 1.00 0.00 O ATOM 0 H GLY A 666 -2.120 -1.736 -8.106 1.00 0.00 H new ATOM 0 HA2 GLY A 666 -3.792 -3.009 -9.353 1.00 0.00 H new ATOM 0 HA3 GLY A 666 -2.980 -4.479 -8.853 1.00 0.00 H new ATOM 239 N LYS A 667 -4.049 -2.426 -6.519 1.00 0.00 N ATOM 240 CA LYS A 667 -4.825 -2.356 -5.288 1.00 0.00 C ATOM 241 C LYS A 667 -4.979 -0.914 -4.803 1.00 0.00 C ATOM 242 O LYS A 667 -4.864 -0.643 -3.611 1.00 0.00 O ATOM 243 CB LYS A 667 -4.156 -3.195 -4.196 1.00 0.00 C ATOM 244 CG LYS A 667 -4.462 -4.681 -4.291 1.00 0.00 C ATOM 245 CD LYS A 667 -3.304 -5.452 -4.907 1.00 0.00 C ATOM 246 CE LYS A 667 -3.790 -6.684 -5.655 1.00 0.00 C ATOM 247 NZ LYS A 667 -2.923 -7.002 -6.823 1.00 0.00 N ATOM 0 H LYS A 667 -3.502 -1.589 -6.723 1.00 0.00 H new ATOM 0 HA LYS A 667 -5.818 -2.752 -5.500 1.00 0.00 H new ATOM 0 HB2 LYS A 667 -3.077 -3.051 -4.250 1.00 0.00 H new ATOM 0 HB3 LYS A 667 -4.478 -2.829 -3.221 1.00 0.00 H new ATOM 0 HG2 LYS A 667 -4.674 -5.074 -3.297 1.00 0.00 H new ATOM 0 HG3 LYS A 667 -5.360 -4.831 -4.891 1.00 0.00 H new ATOM 0 HD2 LYS A 667 -2.756 -4.803 -5.590 1.00 0.00 H new ATOM 0 HD3 LYS A 667 -2.607 -5.752 -4.124 1.00 0.00 H new ATOM 0 HE2 LYS A 667 -3.811 -7.536 -4.976 1.00 0.00 H new ATOM 0 HE3 LYS A 667 -4.813 -6.522 -5.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 667 -3.288 -7.848 -7.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 667 -2.923 -6.199 -7.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 667 -1.952 -7.182 -6.496 1.00 0.00 H new ATOM 261 N ILE A 668 -5.245 0.009 -5.727 1.00 0.00 N ATOM 262 CA ILE A 668 -5.419 1.418 -5.367 1.00 0.00 C ATOM 263 C ILE A 668 -6.465 1.552 -4.277 1.00 0.00 C ATOM 264 O ILE A 668 -6.196 2.066 -3.192 1.00 0.00 O ATOM 265 CB ILE A 668 -5.854 2.268 -6.581 1.00 0.00 C ATOM 266 CG1 ILE A 668 -4.657 2.563 -7.477 1.00 0.00 C ATOM 267 CG2 ILE A 668 -6.509 3.572 -6.132 1.00 0.00 C ATOM 268 CD1 ILE A 668 -4.101 1.337 -8.162 1.00 0.00 C ATOM 0 H ILE A 668 -5.344 -0.190 -6.722 1.00 0.00 H new ATOM 0 HA ILE A 668 -4.455 1.784 -5.013 1.00 0.00 H new ATOM 0 HB ILE A 668 -6.588 1.696 -7.148 1.00 0.00 H new ATOM 0 HG12 ILE A 668 -4.950 3.291 -8.234 1.00 0.00 H new ATOM 0 HG13 ILE A 668 -3.871 3.024 -6.879 1.00 0.00 H new ATOM 0 HG21 ILE A 668 -6.805 4.150 -7.007 1.00 0.00 H new ATOM 0 HG22 ILE A 668 -7.390 3.348 -5.530 1.00 0.00 H new ATOM 0 HG23 ILE A 668 -5.800 4.149 -5.538 1.00 0.00 H new ATOM 0 HD11 ILE A 668 -3.252 1.621 -8.783 1.00 0.00 H new ATOM 0 HD12 ILE A 668 -3.777 0.616 -7.411 1.00 0.00 H new ATOM 0 HD13 ILE A 668 -4.873 0.888 -8.787 1.00 0.00 H new ATOM 280 N GLU A 669 -7.658 1.077 -4.584 1.00 0.00 N ATOM 281 CA GLU A 669 -8.765 1.120 -3.650 1.00 0.00 C ATOM 282 C GLU A 669 -8.347 0.545 -2.305 1.00 0.00 C ATOM 283 O GLU A 669 -8.797 1.000 -1.254 1.00 0.00 O ATOM 284 CB GLU A 669 -9.936 0.341 -4.238 1.00 0.00 C ATOM 285 CG GLU A 669 -11.286 1.000 -4.013 1.00 0.00 C ATOM 286 CD GLU A 669 -12.086 0.331 -2.912 1.00 0.00 C ATOM 287 OE1 GLU A 669 -11.941 0.741 -1.741 1.00 0.00 O ATOM 288 OE2 GLU A 669 -12.854 -0.603 -3.220 1.00 0.00 O ATOM 0 H GLU A 669 -7.885 0.653 -5.483 1.00 0.00 H new ATOM 0 HA GLU A 669 -9.069 2.154 -3.486 1.00 0.00 H new ATOM 0 HB2 GLU A 669 -9.777 0.217 -5.309 1.00 0.00 H new ATOM 0 HB3 GLU A 669 -9.952 -0.657 -3.801 1.00 0.00 H new ATOM 0 HG2 GLU A 669 -11.136 2.050 -3.761 1.00 0.00 H new ATOM 0 HG3 GLU A 669 -11.858 0.973 -4.940 1.00 0.00 H new ATOM 295 N GLU A 670 -7.456 -0.436 -2.349 1.00 0.00 N ATOM 296 CA GLU A 670 -6.944 -1.047 -1.135 1.00 0.00 C ATOM 297 C GLU A 670 -5.829 -0.184 -0.569 1.00 0.00 C ATOM 298 O GLU A 670 -5.622 -0.142 0.643 1.00 0.00 O ATOM 299 CB GLU A 670 -6.435 -2.463 -1.414 1.00 0.00 C ATOM 300 CG GLU A 670 -6.820 -3.470 -0.342 1.00 0.00 C ATOM 301 CD GLU A 670 -5.758 -4.530 -0.128 1.00 0.00 C ATOM 302 OE1 GLU A 670 -4.659 -4.182 0.350 1.00 0.00 O ATOM 303 OE2 GLU A 670 -6.026 -5.709 -0.440 1.00 0.00 O ATOM 0 H GLU A 670 -7.075 -0.824 -3.212 1.00 0.00 H new ATOM 0 HA GLU A 670 -7.751 -1.119 -0.405 1.00 0.00 H new ATOM 0 HB2 GLU A 670 -6.827 -2.799 -2.374 1.00 0.00 H new ATOM 0 HB3 GLU A 670 -5.349 -2.439 -1.505 1.00 0.00 H new ATOM 0 HG2 GLU A 670 -6.998 -2.945 0.597 1.00 0.00 H new ATOM 0 HG3 GLU A 670 -7.757 -3.951 -0.621 1.00 0.00 H new ATOM 310 N ALA A 671 -5.127 0.535 -1.449 1.00 0.00 N ATOM 311 CA ALA A 671 -4.066 1.417 -1.004 1.00 0.00 C ATOM 312 C ALA A 671 -4.648 2.483 -0.095 1.00 0.00 C ATOM 313 O ALA A 671 -4.016 2.898 0.876 1.00 0.00 O ATOM 314 CB ALA A 671 -3.336 2.033 -2.183 1.00 0.00 C ATOM 0 H ALA A 671 -5.277 0.519 -2.458 1.00 0.00 H new ATOM 0 HA ALA A 671 -3.332 0.838 -0.443 1.00 0.00 H new ATOM 0 HB1 ALA A 671 -2.546 2.690 -1.819 1.00 0.00 H new ATOM 0 HB2 ALA A 671 -2.899 1.243 -2.793 1.00 0.00 H new ATOM 0 HB3 ALA A 671 -4.038 2.610 -2.785 1.00 0.00 H new ATOM 320 N GLU A 672 -5.885 2.888 -0.385 1.00 0.00 N ATOM 321 CA GLU A 672 -6.564 3.865 0.450 1.00 0.00 C ATOM 322 C GLU A 672 -6.722 3.287 1.851 1.00 0.00 C ATOM 323 O GLU A 672 -6.811 4.018 2.836 1.00 0.00 O ATOM 324 CB GLU A 672 -7.928 4.225 -0.143 1.00 0.00 C ATOM 325 CG GLU A 672 -7.866 4.638 -1.606 1.00 0.00 C ATOM 326 CD GLU A 672 -9.233 4.959 -2.179 1.00 0.00 C ATOM 327 OE1 GLU A 672 -10.015 4.015 -2.415 1.00 0.00 O ATOM 328 OE2 GLU A 672 -9.521 6.156 -2.390 1.00 0.00 O ATOM 0 H GLU A 672 -6.427 2.556 -1.183 1.00 0.00 H new ATOM 0 HA GLU A 672 -5.973 4.779 0.498 1.00 0.00 H new ATOM 0 HB2 GLU A 672 -8.595 3.369 -0.044 1.00 0.00 H new ATOM 0 HB3 GLU A 672 -8.364 5.038 0.437 1.00 0.00 H new ATOM 0 HG2 GLU A 672 -7.220 5.510 -1.707 1.00 0.00 H new ATOM 0 HG3 GLU A 672 -7.411 3.836 -2.187 1.00 0.00 H new ATOM 335 N ALA A 673 -6.721 1.954 1.924 1.00 0.00 N ATOM 336 CA ALA A 673 -6.827 1.254 3.191 1.00 0.00 C ATOM 337 C ALA A 673 -5.479 1.265 3.893 1.00 0.00 C ATOM 338 O ALA A 673 -5.401 1.382 5.116 1.00 0.00 O ATOM 339 CB ALA A 673 -7.310 -0.173 2.975 1.00 0.00 C ATOM 0 H ALA A 673 -6.647 1.342 1.112 1.00 0.00 H new ATOM 0 HA ALA A 673 -7.557 1.763 3.820 1.00 0.00 H new ATOM 0 HB1 ALA A 673 -7.383 -0.682 3.936 1.00 0.00 H new ATOM 0 HB2 ALA A 673 -8.290 -0.157 2.497 1.00 0.00 H new ATOM 0 HB3 ALA A 673 -6.604 -0.704 2.337 1.00 0.00 H new ATOM 345 N ILE A 674 -4.415 1.168 3.100 1.00 0.00 N ATOM 346 CA ILE A 674 -3.064 1.194 3.634 1.00 0.00 C ATOM 347 C ILE A 674 -2.809 2.533 4.306 1.00 0.00 C ATOM 348 O ILE A 674 -2.274 2.595 5.407 1.00 0.00 O ATOM 349 CB ILE A 674 -2.008 0.958 2.527 1.00 0.00 C ATOM 350 CG1 ILE A 674 -1.836 -0.532 2.270 1.00 0.00 C ATOM 351 CG2 ILE A 674 -0.665 1.567 2.902 1.00 0.00 C ATOM 352 CD1 ILE A 674 -2.637 -1.038 1.103 1.00 0.00 C ATOM 0 H ILE A 674 -4.466 1.071 2.086 1.00 0.00 H new ATOM 0 HA ILE A 674 -2.973 0.387 4.361 1.00 0.00 H new ATOM 0 HB ILE A 674 -2.367 1.446 1.620 1.00 0.00 H new ATOM 0 HG12 ILE A 674 -0.781 -0.742 2.094 1.00 0.00 H new ATOM 0 HG13 ILE A 674 -2.126 -1.082 3.165 1.00 0.00 H new ATOM 0 HG21 ILE A 674 0.054 1.383 2.103 1.00 0.00 H new ATOM 0 HG22 ILE A 674 -0.780 2.641 3.046 1.00 0.00 H new ATOM 0 HG23 ILE A 674 -0.305 1.113 3.825 1.00 0.00 H new ATOM 0 HD11 ILE A 674 -2.465 -2.107 0.980 1.00 0.00 H new ATOM 0 HD12 ILE A 674 -3.697 -0.860 1.284 1.00 0.00 H new ATOM 0 HD13 ILE A 674 -2.331 -0.514 0.197 1.00 0.00 H new ATOM 364 N GLU A 675 -3.207 3.608 3.636 1.00 0.00 N ATOM 365 CA GLU A 675 -3.027 4.946 4.180 1.00 0.00 C ATOM 366 C GLU A 675 -3.521 5.004 5.621 1.00 0.00 C ATOM 367 O GLU A 675 -3.038 5.801 6.421 1.00 0.00 O ATOM 368 CB GLU A 675 -3.759 5.973 3.314 1.00 0.00 C ATOM 369 CG GLU A 675 -2.840 7.031 2.725 1.00 0.00 C ATOM 370 CD GLU A 675 -3.601 8.178 2.091 1.00 0.00 C ATOM 371 OE1 GLU A 675 -4.674 7.925 1.504 1.00 0.00 O ATOM 372 OE2 GLU A 675 -3.125 9.328 2.182 1.00 0.00 O ATOM 0 H GLU A 675 -3.654 3.579 2.720 1.00 0.00 H new ATOM 0 HA GLU A 675 -1.964 5.187 4.174 1.00 0.00 H new ATOM 0 HB2 GLU A 675 -4.271 5.455 2.503 1.00 0.00 H new ATOM 0 HB3 GLU A 675 -4.526 6.462 3.914 1.00 0.00 H new ATOM 0 HG2 GLU A 675 -2.191 7.420 3.509 1.00 0.00 H new ATOM 0 HG3 GLU A 675 -2.195 6.571 1.977 1.00 0.00 H new ATOM 379 N LYS A 676 -4.477 4.139 5.951 1.00 0.00 N ATOM 380 CA LYS A 676 -5.014 4.086 7.305 1.00 0.00 C ATOM 381 C LYS A 676 -3.952 3.602 8.291 1.00 0.00 C ATOM 382 O LYS A 676 -3.984 3.958 9.469 1.00 0.00 O ATOM 383 CB LYS A 676 -6.242 3.172 7.355 1.00 0.00 C ATOM 384 CG LYS A 676 -7.426 3.784 8.087 1.00 0.00 C ATOM 385 CD LYS A 676 -8.282 2.718 8.749 1.00 0.00 C ATOM 386 CE LYS A 676 -9.326 2.167 7.791 1.00 0.00 C ATOM 387 NZ LYS A 676 -10.649 2.825 7.970 1.00 0.00 N ATOM 0 H LYS A 676 -4.892 3.470 5.303 1.00 0.00 H new ATOM 0 HA LYS A 676 -5.315 5.093 7.593 1.00 0.00 H new ATOM 0 HB2 LYS A 676 -6.543 2.925 6.337 1.00 0.00 H new ATOM 0 HB3 LYS A 676 -5.969 2.236 7.842 1.00 0.00 H new ATOM 0 HG2 LYS A 676 -7.067 4.484 8.841 1.00 0.00 H new ATOM 0 HG3 LYS A 676 -8.033 4.356 7.385 1.00 0.00 H new ATOM 0 HD2 LYS A 676 -7.646 1.906 9.102 1.00 0.00 H new ATOM 0 HD3 LYS A 676 -8.776 3.139 9.625 1.00 0.00 H new ATOM 0 HE2 LYS A 676 -8.987 2.308 6.765 1.00 0.00 H new ATOM 0 HE3 LYS A 676 -9.431 1.093 7.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 676 -11.332 2.420 7.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 676 -10.986 2.669 8.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 676 -10.555 3.846 7.796 1.00 0.00 H new ATOM 401 N THR A 677 -3.003 2.802 7.806 1.00 0.00 N ATOM 402 CA THR A 677 -1.933 2.298 8.660 1.00 0.00 C ATOM 403 C THR A 677 -1.082 3.453 9.168 1.00 0.00 C ATOM 404 O THR A 677 -0.533 3.396 10.267 1.00 0.00 O ATOM 405 CB THR A 677 -1.052 1.282 7.921 1.00 0.00 C ATOM 406 OG1 THR A 677 -1.701 0.792 6.761 1.00 0.00 O ATOM 407 CG2 THR A 677 -0.682 0.087 8.772 1.00 0.00 C ATOM 0 H THR A 677 -2.954 2.492 6.835 1.00 0.00 H new ATOM 0 HA THR A 677 -2.394 1.788 9.506 1.00 0.00 H new ATOM 0 HB THR A 677 -0.145 1.827 7.662 1.00 0.00 H new ATOM 0 HG1 THR A 677 -1.792 1.516 6.107 1.00 0.00 H new ATOM 0 HG21 THR A 677 -0.059 -0.594 8.192 1.00 0.00 H new ATOM 0 HG22 THR A 677 -0.132 0.423 9.651 1.00 0.00 H new ATOM 0 HG23 THR A 677 -1.588 -0.430 9.087 1.00 0.00 H new ATOM 415 N LEU A 678 -0.984 4.512 8.364 1.00 0.00 N ATOM 416 CA LEU A 678 -0.209 5.686 8.743 1.00 0.00 C ATOM 417 C LEU A 678 -0.625 6.162 10.127 1.00 0.00 C ATOM 418 O LEU A 678 0.197 6.650 10.902 1.00 0.00 O ATOM 419 CB LEU A 678 -0.392 6.812 7.724 1.00 0.00 C ATOM 420 CG LEU A 678 0.580 6.782 6.545 1.00 0.00 C ATOM 421 CD1 LEU A 678 0.008 5.953 5.406 1.00 0.00 C ATOM 422 CD2 LEU A 678 0.892 8.196 6.076 1.00 0.00 C ATOM 0 H LEU A 678 -1.431 4.578 7.450 1.00 0.00 H new ATOM 0 HA LEU A 678 0.845 5.409 8.762 1.00 0.00 H new ATOM 0 HB2 LEU A 678 -1.410 6.769 7.337 1.00 0.00 H new ATOM 0 HB3 LEU A 678 -0.286 7.767 8.238 1.00 0.00 H new ATOM 0 HG LEU A 678 1.510 6.317 6.874 1.00 0.00 H new ATOM 0 HD11 LEU A 678 0.713 5.942 4.574 1.00 0.00 H new ATOM 0 HD12 LEU A 678 -0.164 4.933 5.749 1.00 0.00 H new ATOM 0 HD13 LEU A 678 -0.935 6.389 5.077 1.00 0.00 H new ATOM 0 HD21 LEU A 678 1.586 8.156 5.236 1.00 0.00 H new ATOM 0 HD22 LEU A 678 -0.029 8.687 5.763 1.00 0.00 H new ATOM 0 HD23 LEU A 678 1.344 8.759 6.893 1.00 0.00 H new ATOM 434 N LYS A 679 -1.910 5.998 10.437 1.00 0.00 N ATOM 435 CA LYS A 679 -2.430 6.394 11.740 1.00 0.00 C ATOM 436 C LYS A 679 -1.652 5.704 12.859 1.00 0.00 C ATOM 437 O LYS A 679 -1.630 6.176 13.997 1.00 0.00 O ATOM 438 CB LYS A 679 -3.917 6.049 11.844 1.00 0.00 C ATOM 439 CG LYS A 679 -4.568 6.545 13.125 1.00 0.00 C ATOM 440 CD LYS A 679 -6.031 6.898 12.904 1.00 0.00 C ATOM 441 CE LYS A 679 -6.209 8.379 12.613 1.00 0.00 C ATOM 442 NZ LYS A 679 -7.554 8.677 12.048 1.00 0.00 N ATOM 0 H LYS A 679 -2.604 5.596 9.807 1.00 0.00 H new ATOM 0 HA LYS A 679 -2.310 7.472 11.846 1.00 0.00 H new ATOM 0 HB2 LYS A 679 -4.442 6.478 10.990 1.00 0.00 H new ATOM 0 HB3 LYS A 679 -4.036 4.967 11.781 1.00 0.00 H new ATOM 0 HG2 LYS A 679 -4.490 5.778 13.895 1.00 0.00 H new ATOM 0 HG3 LYS A 679 -4.032 7.421 13.492 1.00 0.00 H new ATOM 0 HD2 LYS A 679 -6.426 6.313 12.073 1.00 0.00 H new ATOM 0 HD3 LYS A 679 -6.609 6.628 13.788 1.00 0.00 H new ATOM 0 HE2 LYS A 679 -6.067 8.949 13.531 1.00 0.00 H new ATOM 0 HE3 LYS A 679 -5.441 8.706 11.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 679 -7.635 9.697 11.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 679 -7.681 8.153 11.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 679 -8.287 8.389 12.727 1.00 0.00 H new ATOM 456 N ASN A 680 -1.009 4.584 12.525 1.00 0.00 N ATOM 457 CA ASN A 680 -0.223 3.823 13.492 1.00 0.00 C ATOM 458 C ASN A 680 0.772 4.724 14.219 1.00 0.00 C ATOM 459 O ASN A 680 1.538 5.455 13.589 1.00 0.00 O ATOM 460 CB ASN A 680 0.522 2.685 12.788 1.00 0.00 C ATOM 461 CG ASN A 680 -0.374 1.493 12.510 1.00 0.00 C ATOM 462 OD1 ASN A 680 -1.571 1.521 12.798 1.00 0.00 O ATOM 463 ND2 ASN A 680 0.204 0.438 11.948 1.00 0.00 N ATOM 0 H ASN A 680 -1.019 4.184 11.587 1.00 0.00 H new ATOM 0 HA ASN A 680 -0.908 3.403 14.229 1.00 0.00 H new ATOM 0 HB2 ASN A 680 0.936 3.052 11.849 1.00 0.00 H new ATOM 0 HB3 ASN A 680 1.363 2.368 13.405 1.00 0.00 H new ATOM 0 HD21 ASN A 680 -0.347 -0.394 11.738 1.00 0.00 H new ATOM 0 HD22 ASN A 680 1.199 0.459 11.727 1.00 0.00 H new ATOM 470 N LYS A 681 0.757 4.663 15.546 1.00 0.00 N ATOM 471 CA LYS A 681 1.659 5.473 16.358 1.00 0.00 C ATOM 472 C LYS A 681 1.664 4.994 17.807 1.00 0.00 C ATOM 473 O LYS A 681 1.805 5.792 18.733 1.00 0.00 O ATOM 474 CB LYS A 681 1.250 6.946 16.297 1.00 0.00 C ATOM 475 CG LYS A 681 2.410 7.907 16.502 1.00 0.00 C ATOM 476 CD LYS A 681 2.032 9.326 16.109 1.00 0.00 C ATOM 477 CE LYS A 681 3.215 10.272 16.237 1.00 0.00 C ATOM 478 NZ LYS A 681 4.336 9.888 15.336 1.00 0.00 N ATOM 0 H LYS A 681 0.131 4.062 16.082 1.00 0.00 H new ATOM 0 HA LYS A 681 2.666 5.366 15.955 1.00 0.00 H new ATOM 0 HB2 LYS A 681 0.789 7.147 15.330 1.00 0.00 H new ATOM 0 HB3 LYS A 681 0.492 7.136 17.057 1.00 0.00 H new ATOM 0 HG2 LYS A 681 2.720 7.888 17.547 1.00 0.00 H new ATOM 0 HG3 LYS A 681 3.265 7.579 15.910 1.00 0.00 H new ATOM 0 HD2 LYS A 681 1.666 9.335 15.082 1.00 0.00 H new ATOM 0 HD3 LYS A 681 1.215 9.675 16.741 1.00 0.00 H new ATOM 0 HE2 LYS A 681 2.894 11.287 16.004 1.00 0.00 H new ATOM 0 HE3 LYS A 681 3.565 10.277 17.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 681 5.007 10.679 15.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 681 4.824 9.056 15.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 681 3.961 9.661 14.393 1.00 0.00 H new ATOM 492 N GLN A 682 1.508 3.688 17.993 1.00 0.00 N ATOM 493 CA GLN A 682 1.495 3.103 19.328 1.00 0.00 C ATOM 494 C GLN A 682 1.938 1.644 19.289 1.00 0.00 C ATOM 495 O GLN A 682 1.481 0.824 20.084 1.00 0.00 O ATOM 496 CB GLN A 682 0.095 3.206 19.940 1.00 0.00 C ATOM 497 CG GLN A 682 0.077 3.035 21.450 1.00 0.00 C ATOM 498 CD GLN A 682 -1.329 2.951 22.009 1.00 0.00 C ATOM 499 OE1 GLN A 682 -1.656 2.034 22.763 1.00 0.00 O ATOM 500 NE2 GLN A 682 -2.171 3.911 21.642 1.00 0.00 N ATOM 0 H GLN A 682 1.389 3.015 17.236 1.00 0.00 H new ATOM 0 HA GLN A 682 2.198 3.661 19.947 1.00 0.00 H new ATOM 0 HB2 GLN A 682 -0.332 4.176 19.688 1.00 0.00 H new ATOM 0 HB3 GLN A 682 -0.546 2.448 19.489 1.00 0.00 H new ATOM 0 HG2 GLN A 682 0.625 2.131 21.716 1.00 0.00 H new ATOM 0 HG3 GLN A 682 0.599 3.872 21.913 1.00 0.00 H new ATOM 0 HE21 GLN A 682 -1.858 4.652 21.015 1.00 0.00 H new ATOM 0 HE22 GLN A 682 -3.131 3.907 21.987 1.00 0.00 H new ATOM 509 N ASN A 683 2.831 1.327 18.357 1.00 0.00 N ATOM 510 CA ASN A 683 3.337 -0.032 18.212 1.00 0.00 C ATOM 511 C ASN A 683 4.687 -0.040 17.504 1.00 0.00 C ATOM 512 O ASN A 683 5.043 -1.085 16.922 1.00 0.00 O ATOM 513 CB ASN A 683 2.336 -0.891 17.436 1.00 0.00 C ATOM 514 CG ASN A 683 2.515 -2.372 17.703 1.00 0.00 C ATOM 515 OD1 ASN A 683 3.342 -3.033 17.074 1.00 0.00 O ATOM 516 ND2 ASN A 683 1.739 -2.903 18.641 1.00 0.00 N ATOM 517 OXT ASN A 683 5.377 1.001 17.537 1.00 0.00 O ATOM 0 H ASN A 683 3.219 1.994 17.690 1.00 0.00 H new ATOM 0 HA ASN A 683 3.469 -0.451 19.210 1.00 0.00 H new ATOM 0 HB2 ASN A 683 1.322 -0.596 17.706 1.00 0.00 H new ATOM 0 HB3 ASN A 683 2.449 -0.701 16.369 1.00 0.00 H new ATOM 0 HD21 ASN A 683 1.815 -3.895 18.864 1.00 0.00 H new ATOM 0 HD22 ASN A 683 1.067 -2.318 19.138 1.00 0.00 H new TER 524 ASN A 683 ATOM 525 N ARG B 405 10.207 -17.539 9.691 1.00 0.00 N ATOM 526 CA ARG B 405 8.878 -17.223 10.275 1.00 0.00 C ATOM 527 C ARG B 405 7.864 -18.323 9.966 1.00 0.00 C ATOM 528 O ARG B 405 7.112 -18.230 8.995 1.00 0.00 O ATOM 529 CB ARG B 405 8.398 -15.888 9.702 1.00 0.00 C ATOM 530 CG ARG B 405 8.494 -15.807 8.187 1.00 0.00 C ATOM 531 CD ARG B 405 9.750 -15.073 7.745 1.00 0.00 C ATOM 532 NE ARG B 405 10.788 -15.993 7.286 1.00 0.00 N ATOM 533 CZ ARG B 405 12.075 -15.666 7.183 1.00 0.00 C ATOM 534 NH1 ARG B 405 12.485 -14.445 7.504 1.00 0.00 N ATOM 535 NH2 ARG B 405 12.954 -16.563 6.758 1.00 0.00 N ATOM 0 HA ARG B 405 8.971 -17.156 11.359 1.00 0.00 H new ATOM 0 HB2 ARG B 405 7.363 -15.725 10.001 1.00 0.00 H new ATOM 0 HB3 ARG B 405 8.987 -15.082 10.139 1.00 0.00 H new ATOM 0 HG2 ARG B 405 8.493 -16.813 7.767 1.00 0.00 H new ATOM 0 HG3 ARG B 405 7.615 -15.296 7.793 1.00 0.00 H new ATOM 0 HD2 ARG B 405 9.501 -14.378 6.943 1.00 0.00 H new ATOM 0 HD3 ARG B 405 10.133 -14.478 8.574 1.00 0.00 H new ATOM 0 HE ARG B 405 10.511 -16.941 7.030 1.00 0.00 H new ATOM 0 HH11 ARG B 405 11.813 -13.751 7.832 1.00 0.00 H new ATOM 0 HH12 ARG B 405 13.472 -14.201 7.423 1.00 0.00 H new ATOM 0 HH21 ARG B 405 12.644 -17.503 6.510 1.00 0.00 H new ATOM 0 HH22 ARG B 405 13.940 -16.313 6.679 1.00 0.00 H new ATOM 550 N PRO B 406 7.831 -19.383 10.792 1.00 0.00 N ATOM 551 CA PRO B 406 6.904 -20.504 10.604 1.00 0.00 C ATOM 552 C PRO B 406 5.460 -20.039 10.419 1.00 0.00 C ATOM 553 O PRO B 406 4.808 -19.625 11.377 1.00 0.00 O ATOM 554 CB PRO B 406 7.045 -21.301 11.902 1.00 0.00 C ATOM 555 CG PRO B 406 8.418 -20.992 12.386 1.00 0.00 C ATOM 556 CD PRO B 406 8.693 -19.571 11.974 1.00 0.00 C ATOM 0 HA PRO B 406 7.135 -21.078 9.707 1.00 0.00 H new ATOM 0 HB2 PRO B 406 6.292 -21.006 12.632 1.00 0.00 H new ATOM 0 HB3 PRO B 406 6.918 -22.369 11.727 1.00 0.00 H new ATOM 0 HG2 PRO B 406 8.485 -21.104 13.468 1.00 0.00 H new ATOM 0 HG3 PRO B 406 9.148 -21.673 11.949 1.00 0.00 H new ATOM 0 HD2 PRO B 406 8.444 -18.867 12.768 1.00 0.00 H new ATOM 0 HD3 PRO B 406 9.745 -19.420 11.732 1.00 0.00 H new ATOM 564 N PRO B 407 4.938 -20.102 9.180 1.00 0.00 N ATOM 565 CA PRO B 407 3.564 -19.683 8.881 1.00 0.00 C ATOM 566 C PRO B 407 2.543 -20.327 9.819 1.00 0.00 C ATOM 567 O PRO B 407 2.242 -21.514 9.697 1.00 0.00 O ATOM 568 CB PRO B 407 3.350 -20.171 7.446 1.00 0.00 C ATOM 569 CG PRO B 407 4.715 -20.210 6.854 1.00 0.00 C ATOM 570 CD PRO B 407 5.643 -20.583 7.977 1.00 0.00 C ATOM 0 HA PRO B 407 3.429 -18.609 9.007 1.00 0.00 H new ATOM 0 HB2 PRO B 407 2.882 -21.155 7.428 1.00 0.00 H new ATOM 0 HB3 PRO B 407 2.697 -19.497 6.892 1.00 0.00 H new ATOM 0 HG2 PRO B 407 4.769 -20.939 6.045 1.00 0.00 H new ATOM 0 HG3 PRO B 407 4.984 -19.243 6.430 1.00 0.00 H new ATOM 0 HD2 PRO B 407 5.815 -21.659 8.015 1.00 0.00 H new ATOM 0 HD3 PRO B 407 6.618 -20.108 7.866 1.00 0.00 H new ATOM 578 N PRO B 408 1.995 -19.551 10.772 1.00 0.00 N ATOM 579 CA PRO B 408 1.006 -20.059 11.728 1.00 0.00 C ATOM 580 C PRO B 408 -0.334 -20.364 11.067 1.00 0.00 C ATOM 581 O PRO B 408 -0.952 -21.393 11.340 1.00 0.00 O ATOM 582 CB PRO B 408 0.859 -18.912 12.731 1.00 0.00 C ATOM 583 CG PRO B 408 1.235 -17.691 11.967 1.00 0.00 C ATOM 584 CD PRO B 408 2.295 -18.123 10.991 1.00 0.00 C ATOM 0 HA PRO B 408 1.321 -21.000 12.180 1.00 0.00 H new ATOM 0 HB2 PRO B 408 -0.161 -18.844 13.108 1.00 0.00 H new ATOM 0 HB3 PRO B 408 1.509 -19.055 13.594 1.00 0.00 H new ATOM 0 HG2 PRO B 408 0.372 -17.275 11.447 1.00 0.00 H new ATOM 0 HG3 PRO B 408 1.611 -16.914 12.633 1.00 0.00 H new ATOM 0 HD2 PRO B 408 2.243 -17.554 10.063 1.00 0.00 H new ATOM 0 HD3 PRO B 408 3.297 -17.980 11.396 1.00 0.00 H new ATOM 592 N ALA B 409 -0.776 -19.464 10.196 1.00 0.00 N ATOM 593 CA ALA B 409 -2.043 -19.636 9.494 1.00 0.00 C ATOM 594 C ALA B 409 -1.997 -18.999 8.110 1.00 0.00 C ATOM 595 O ALA B 409 -1.013 -18.356 7.745 1.00 0.00 O ATOM 596 CB ALA B 409 -3.182 -19.046 10.312 1.00 0.00 C ATOM 0 H ALA B 409 -0.276 -18.607 9.959 1.00 0.00 H new ATOM 0 HA ALA B 409 -2.217 -20.704 9.366 1.00 0.00 H new ATOM 0 HB1 ALA B 409 -4.122 -19.181 9.777 1.00 0.00 H new ATOM 0 HB2 ALA B 409 -3.237 -19.551 11.276 1.00 0.00 H new ATOM 0 HB3 ALA B 409 -3.004 -17.982 10.470 1.00 0.00 H new ATOM 602 N HIS B 410 -3.067 -19.183 7.344 1.00 0.00 N ATOM 603 CA HIS B 410 -3.147 -18.626 5.999 1.00 0.00 C ATOM 604 C HIS B 410 -4.591 -18.296 5.632 1.00 0.00 C ATOM 605 O HIS B 410 -5.424 -19.191 5.485 1.00 0.00 O ATOM 606 CB HIS B 410 -2.562 -19.607 4.981 1.00 0.00 C ATOM 607 CG HIS B 410 -1.230 -20.159 5.381 1.00 0.00 C ATOM 608 ND1 HIS B 410 -0.040 -19.729 4.831 1.00 0.00 N ATOM 609 CD2 HIS B 410 -0.900 -21.113 6.285 1.00 0.00 C ATOM 610 CE1 HIS B 410 0.962 -20.395 5.378 1.00 0.00 C ATOM 611 NE2 HIS B 410 0.466 -21.240 6.263 1.00 0.00 N ATOM 0 H HIS B 410 -3.890 -19.713 7.631 1.00 0.00 H new ATOM 0 HA HIS B 410 -2.566 -17.704 5.980 1.00 0.00 H new ATOM 0 HB2 HIS B 410 -3.261 -20.432 4.840 1.00 0.00 H new ATOM 0 HB3 HIS B 410 -2.464 -19.104 4.019 1.00 0.00 H new ATOM 0 HD1 HIS B 410 0.052 -19.009 4.114 1.00 0.00 H new ATOM 0 HD2 HIS B 410 -1.585 -21.670 6.907 1.00 0.00 H new ATOM 0 HE1 HIS B 410 2.008 -20.269 5.141 1.00 0.00 H new ATOM 620 N HIS B 411 -4.880 -17.007 5.486 1.00 0.00 N ATOM 621 CA HIS B 411 -6.223 -16.559 5.137 1.00 0.00 C ATOM 622 C HIS B 411 -6.177 -15.230 4.393 1.00 0.00 C ATOM 623 O HIS B 411 -7.090 -14.412 4.505 1.00 0.00 O ATOM 624 CB HIS B 411 -7.082 -16.425 6.395 1.00 0.00 C ATOM 625 CG HIS B 411 -6.995 -17.608 7.309 1.00 0.00 C ATOM 626 ND1 HIS B 411 -7.713 -18.767 7.110 1.00 0.00 N ATOM 627 CD2 HIS B 411 -6.266 -17.807 8.433 1.00 0.00 C ATOM 628 CE1 HIS B 411 -7.432 -19.628 8.072 1.00 0.00 C ATOM 629 NE2 HIS B 411 -6.556 -19.070 8.887 1.00 0.00 N ATOM 0 H HIS B 411 -4.202 -16.254 5.604 1.00 0.00 H new ATOM 0 HA HIS B 411 -6.669 -17.306 4.480 1.00 0.00 H new ATOM 0 HB2 HIS B 411 -6.776 -15.532 6.940 1.00 0.00 H new ATOM 0 HB3 HIS B 411 -8.121 -16.279 6.101 1.00 0.00 H new ATOM 0 HD1 HIS B 411 -8.361 -18.934 6.340 1.00 0.00 H new ATOM 0 HD2 HIS B 411 -5.584 -17.104 8.887 1.00 0.00 H new ATOM 0 HE1 HIS B 411 -7.848 -20.619 8.174 1.00 0.00 H new ATOM 638 N ASN B 412 -5.106 -15.018 3.635 1.00 0.00 N ATOM 639 CA ASN B 412 -4.942 -13.786 2.872 1.00 0.00 C ATOM 640 C ASN B 412 -4.914 -12.573 3.797 1.00 0.00 C ATOM 641 O ASN B 412 -5.931 -12.205 4.384 1.00 0.00 O ATOM 642 CB ASN B 412 -6.070 -13.638 1.851 1.00 0.00 C ATOM 643 CG ASN B 412 -6.065 -14.747 0.818 1.00 0.00 C ATOM 644 OD1 ASN B 412 -6.233 -15.921 1.149 1.00 0.00 O ATOM 645 ND2 ASN B 412 -5.872 -14.380 -0.443 1.00 0.00 N ATOM 0 H ASN B 412 -4.339 -15.683 3.533 1.00 0.00 H new ATOM 0 HA ASN B 412 -3.990 -13.840 2.344 1.00 0.00 H new ATOM 0 HB2 ASN B 412 -7.028 -13.634 2.371 1.00 0.00 H new ATOM 0 HB3 ASN B 412 -5.976 -12.676 1.347 1.00 0.00 H new ATOM 0 HD21 ASN B 412 -5.859 -15.083 -1.182 1.00 0.00 H new ATOM 0 HD22 ASN B 412 -5.737 -13.395 -0.673 1.00 0.00 H new ATOM 652 N MET B 413 -3.743 -11.957 3.921 1.00 0.00 N ATOM 653 CA MET B 413 -3.582 -10.785 4.775 1.00 0.00 C ATOM 654 C MET B 413 -2.592 -9.799 4.165 1.00 0.00 C ATOM 655 O MET B 413 -1.939 -10.098 3.165 1.00 0.00 O ATOM 656 CB MET B 413 -3.110 -11.204 6.169 1.00 0.00 C ATOM 657 CG MET B 413 -4.247 -11.512 7.129 1.00 0.00 C ATOM 658 SD MET B 413 -3.712 -12.487 8.548 1.00 0.00 S ATOM 659 CE MET B 413 -2.380 -11.468 9.176 1.00 0.00 C ATOM 0 H MET B 413 -2.892 -12.249 3.441 1.00 0.00 H new ATOM 0 HA MET B 413 -4.551 -10.293 4.860 1.00 0.00 H new ATOM 0 HB2 MET B 413 -2.473 -12.084 6.079 1.00 0.00 H new ATOM 0 HB3 MET B 413 -2.496 -10.408 6.590 1.00 0.00 H new ATOM 0 HG2 MET B 413 -4.685 -10.577 7.479 1.00 0.00 H new ATOM 0 HG3 MET B 413 -5.031 -12.051 6.597 1.00 0.00 H new ATOM 0 HE1 MET B 413 -2.100 -11.809 10.173 1.00 0.00 H new ATOM 0 HE2 MET B 413 -1.519 -11.544 8.512 1.00 0.00 H new ATOM 0 HE3 MET B 413 -2.709 -10.430 9.226 1.00 0.00 H new ATOM 669 N PHE B 414 -2.484 -8.623 4.774 1.00 0.00 N ATOM 670 CA PHE B 414 -1.573 -7.592 4.290 1.00 0.00 C ATOM 671 C PHE B 414 -0.130 -8.086 4.319 1.00 0.00 C ATOM 672 O PHE B 414 0.552 -8.095 3.295 1.00 0.00 O ATOM 673 CB PHE B 414 -1.712 -6.324 5.135 1.00 0.00 C ATOM 674 CG PHE B 414 -1.178 -5.089 4.465 1.00 0.00 C ATOM 675 CD1 PHE B 414 -1.529 -4.782 3.159 1.00 0.00 C ATOM 676 CD2 PHE B 414 -0.323 -4.234 5.142 1.00 0.00 C ATOM 677 CE1 PHE B 414 -1.039 -3.648 2.545 1.00 0.00 C ATOM 678 CE2 PHE B 414 0.170 -3.097 4.531 1.00 0.00 C ATOM 679 CZ PHE B 414 -0.190 -2.804 3.229 1.00 0.00 C ATOM 0 H PHE B 414 -3.016 -8.360 5.604 1.00 0.00 H new ATOM 0 HA PHE B 414 -1.836 -7.361 3.258 1.00 0.00 H new ATOM 0 HB2 PHE B 414 -2.764 -6.171 5.374 1.00 0.00 H new ATOM 0 HB3 PHE B 414 -1.189 -6.469 6.080 1.00 0.00 H new ATOM 0 HD1 PHE B 414 -2.193 -5.438 2.616 1.00 0.00 H new ATOM 0 HD2 PHE B 414 -0.039 -4.459 6.159 1.00 0.00 H new ATOM 0 HE1 PHE B 414 -1.321 -3.421 1.527 1.00 0.00 H new ATOM 0 HE2 PHE B 414 0.835 -2.439 5.070 1.00 0.00 H new ATOM 0 HZ PHE B 414 0.193 -1.916 2.749 1.00 0.00 H new ATOM 689 N SER B 415 0.331 -8.498 5.498 1.00 0.00 N ATOM 690 CA SER B 415 1.696 -8.996 5.655 1.00 0.00 C ATOM 691 C SER B 415 2.707 -7.977 5.129 1.00 0.00 C ATOM 692 O SER B 415 2.399 -6.790 5.018 1.00 0.00 O ATOM 693 CB SER B 415 1.856 -10.330 4.922 1.00 0.00 C ATOM 694 OG SER B 415 2.913 -11.093 5.477 1.00 0.00 O ATOM 0 H SER B 415 -0.219 -8.497 6.357 1.00 0.00 H new ATOM 0 HA SER B 415 1.888 -9.151 6.717 1.00 0.00 H new ATOM 0 HB2 SER B 415 0.926 -10.895 4.981 1.00 0.00 H new ATOM 0 HB3 SER B 415 2.051 -10.147 3.865 1.00 0.00 H new ATOM 0 HG SER B 415 2.994 -11.941 4.993 1.00 0.00 H new ATOM 700 N VAL B 416 3.912 -8.442 4.799 1.00 0.00 N ATOM 701 CA VAL B 416 4.948 -7.556 4.281 1.00 0.00 C ATOM 702 C VAL B 416 5.617 -8.140 3.032 1.00 0.00 C ATOM 703 O VAL B 416 6.825 -8.378 3.014 1.00 0.00 O ATOM 704 CB VAL B 416 6.017 -7.255 5.351 1.00 0.00 C ATOM 705 CG1 VAL B 416 6.793 -8.513 5.715 1.00 0.00 C ATOM 706 CG2 VAL B 416 6.956 -6.156 4.872 1.00 0.00 C ATOM 0 H VAL B 416 4.191 -9.420 4.881 1.00 0.00 H new ATOM 0 HA VAL B 416 4.455 -6.623 4.006 1.00 0.00 H new ATOM 0 HB VAL B 416 5.511 -6.904 6.250 1.00 0.00 H new ATOM 0 HG11 VAL B 416 7.540 -8.273 6.471 1.00 0.00 H new ATOM 0 HG12 VAL B 416 6.107 -9.263 6.108 1.00 0.00 H new ATOM 0 HG13 VAL B 416 7.288 -8.905 4.827 1.00 0.00 H new ATOM 0 HG21 VAL B 416 7.704 -5.956 5.639 1.00 0.00 H new ATOM 0 HG22 VAL B 416 7.453 -6.475 3.956 1.00 0.00 H new ATOM 0 HG23 VAL B 416 6.385 -5.248 4.678 1.00 0.00 H new ATOM 716 N PRO B 417 4.834 -8.363 1.959 1.00 0.00 N ATOM 717 CA PRO B 417 5.346 -8.902 0.692 1.00 0.00 C ATOM 718 C PRO B 417 6.419 -8.005 0.086 1.00 0.00 C ATOM 719 O PRO B 417 6.422 -6.796 0.318 1.00 0.00 O ATOM 720 CB PRO B 417 4.115 -8.945 -0.221 1.00 0.00 C ATOM 721 CG PRO B 417 2.946 -8.897 0.699 1.00 0.00 C ATOM 722 CD PRO B 417 3.386 -8.091 1.886 1.00 0.00 C ATOM 0 HA PRO B 417 5.816 -9.876 0.829 1.00 0.00 H new ATOM 0 HB2 PRO B 417 4.107 -8.102 -0.912 1.00 0.00 H new ATOM 0 HB3 PRO B 417 4.104 -9.852 -0.825 1.00 0.00 H new ATOM 0 HG2 PRO B 417 2.086 -8.437 0.213 1.00 0.00 H new ATOM 0 HG3 PRO B 417 2.644 -9.901 0.999 1.00 0.00 H new ATOM 0 HD2 PRO B 417 3.182 -7.029 1.750 1.00 0.00 H new ATOM 0 HD3 PRO B 417 2.872 -8.400 2.796 1.00 0.00 H new ATOM 730 N PRO B 418 7.353 -8.574 -0.699 1.00 0.00 N ATOM 731 CA PRO B 418 8.421 -7.789 -1.320 1.00 0.00 C ATOM 732 C PRO B 418 7.832 -6.682 -2.189 1.00 0.00 C ATOM 733 O PRO B 418 6.812 -6.882 -2.850 1.00 0.00 O ATOM 734 CB PRO B 418 9.178 -8.811 -2.181 1.00 0.00 C ATOM 735 CG PRO B 418 8.266 -9.988 -2.296 1.00 0.00 C ATOM 736 CD PRO B 418 7.441 -9.999 -1.041 1.00 0.00 C ATOM 0 HA PRO B 418 9.065 -7.297 -0.591 1.00 0.00 H new ATOM 0 HB2 PRO B 418 9.414 -8.400 -3.162 1.00 0.00 H new ATOM 0 HB3 PRO B 418 10.124 -9.091 -1.717 1.00 0.00 H new ATOM 0 HG2 PRO B 418 7.632 -9.905 -3.179 1.00 0.00 H new ATOM 0 HG3 PRO B 418 8.834 -10.913 -2.397 1.00 0.00 H new ATOM 0 HD2 PRO B 418 6.457 -10.437 -1.207 1.00 0.00 H new ATOM 0 HD3 PRO B 418 7.917 -10.577 -0.249 1.00 0.00 H new ATOM 744 N PRO B 419 8.429 -5.478 -2.165 1.00 0.00 N ATOM 745 CA PRO B 419 7.903 -4.336 -2.920 1.00 0.00 C ATOM 746 C PRO B 419 8.008 -4.492 -4.439 1.00 0.00 C ATOM 747 O PRO B 419 9.034 -4.925 -4.962 1.00 0.00 O ATOM 748 CB PRO B 419 8.780 -3.163 -2.457 1.00 0.00 C ATOM 749 CG PRO B 419 9.478 -3.636 -1.228 1.00 0.00 C ATOM 750 CD PRO B 419 9.613 -5.119 -1.371 1.00 0.00 C ATOM 0 HA PRO B 419 6.837 -4.211 -2.732 1.00 0.00 H new ATOM 0 HB2 PRO B 419 9.496 -2.882 -3.229 1.00 0.00 H new ATOM 0 HB3 PRO B 419 8.174 -2.281 -2.248 1.00 0.00 H new ATOM 0 HG2 PRO B 419 10.455 -3.164 -1.129 1.00 0.00 H new ATOM 0 HG3 PRO B 419 8.909 -3.381 -0.334 1.00 0.00 H new ATOM 0 HD2 PRO B 419 10.538 -5.394 -1.877 1.00 0.00 H new ATOM 0 HD3 PRO B 419 9.618 -5.620 -0.403 1.00 0.00 H new ATOM 758 N PRO B 420 6.935 -4.111 -5.170 1.00 0.00 N ATOM 759 CA PRO B 420 6.889 -4.176 -6.632 1.00 0.00 C ATOM 760 C PRO B 420 7.673 -3.049 -7.310 1.00 0.00 C ATOM 761 O PRO B 420 8.727 -3.284 -7.901 1.00 0.00 O ATOM 762 CB PRO B 420 5.392 -4.055 -6.968 1.00 0.00 C ATOM 763 CG PRO B 420 4.672 -4.003 -5.657 1.00 0.00 C ATOM 764 CD PRO B 420 5.681 -3.583 -4.628 1.00 0.00 C ATOM 0 HA PRO B 420 7.349 -5.096 -6.993 1.00 0.00 H new ATOM 0 HB2 PRO B 420 5.196 -3.158 -7.555 1.00 0.00 H new ATOM 0 HB3 PRO B 420 5.057 -4.905 -7.563 1.00 0.00 H new ATOM 0 HG2 PRO B 420 3.844 -3.296 -5.698 1.00 0.00 H new ATOM 0 HG3 PRO B 420 4.248 -4.976 -5.409 1.00 0.00 H new ATOM 0 HD2 PRO B 420 5.714 -2.500 -4.513 1.00 0.00 H new ATOM 0 HD3 PRO B 420 5.456 -4.001 -3.647 1.00 0.00 H new ATOM 772 N ILE B 421 7.135 -1.825 -7.247 1.00 0.00 N ATOM 773 CA ILE B 421 7.772 -0.671 -7.887 1.00 0.00 C ATOM 774 C ILE B 421 8.837 -0.028 -6.994 1.00 0.00 C ATOM 775 O ILE B 421 9.333 -0.652 -6.057 1.00 0.00 O ATOM 776 CB ILE B 421 6.721 0.385 -8.357 1.00 0.00 C ATOM 777 CG1 ILE B 421 6.379 1.409 -7.247 1.00 0.00 C ATOM 778 CG2 ILE B 421 5.465 -0.315 -8.867 1.00 0.00 C ATOM 779 CD1 ILE B 421 4.897 1.528 -6.914 1.00 0.00 C ATOM 0 H ILE B 421 6.264 -1.610 -6.761 1.00 0.00 H new ATOM 0 HA ILE B 421 8.280 -1.051 -8.773 1.00 0.00 H new ATOM 0 HB ILE B 421 7.166 0.952 -9.175 1.00 0.00 H new ATOM 0 HG12 ILE B 421 6.918 1.133 -6.341 1.00 0.00 H new ATOM 0 HG13 ILE B 421 6.747 2.389 -7.552 1.00 0.00 H new ATOM 0 HG21 ILE B 421 4.739 0.431 -9.192 1.00 0.00 H new ATOM 0 HG22 ILE B 421 5.723 -0.960 -9.707 1.00 0.00 H new ATOM 0 HG23 ILE B 421 5.034 -0.917 -8.067 1.00 0.00 H new ATOM 0 HD11 ILE B 421 4.759 2.269 -6.126 1.00 0.00 H new ATOM 0 HD12 ILE B 421 4.348 1.838 -7.803 1.00 0.00 H new ATOM 0 HD13 ILE B 421 4.522 0.563 -6.574 1.00 0.00 H new ATOM 791 N LEU B 422 9.192 1.219 -7.297 1.00 0.00 N ATOM 792 CA LEU B 422 10.198 1.936 -6.524 1.00 0.00 C ATOM 793 C LEU B 422 10.360 3.360 -7.041 1.00 0.00 C ATOM 794 O LEU B 422 11.467 3.897 -7.079 1.00 0.00 O ATOM 795 CB LEU B 422 11.539 1.201 -6.588 1.00 0.00 C ATOM 796 CG LEU B 422 12.026 0.863 -7.999 1.00 0.00 C ATOM 797 CD1 LEU B 422 13.547 0.833 -8.045 1.00 0.00 C ATOM 798 CD2 LEU B 422 11.451 -0.468 -8.456 1.00 0.00 C ATOM 0 H LEU B 422 8.797 1.752 -8.072 1.00 0.00 H new ATOM 0 HA LEU B 422 9.866 1.979 -5.487 1.00 0.00 H new ATOM 0 HB2 LEU B 422 12.295 1.813 -6.096 1.00 0.00 H new ATOM 0 HB3 LEU B 422 11.457 0.276 -6.017 1.00 0.00 H new ATOM 0 HG LEU B 422 11.677 1.640 -8.680 1.00 0.00 H new ATOM 0 HD11 LEU B 422 13.876 0.591 -9.056 1.00 0.00 H new ATOM 0 HD12 LEU B 422 13.939 1.809 -7.760 1.00 0.00 H new ATOM 0 HD13 LEU B 422 13.917 0.077 -7.352 1.00 0.00 H new ATOM 0 HD21 LEU B 422 11.808 -0.693 -9.461 1.00 0.00 H new ATOM 0 HD22 LEU B 422 11.770 -1.256 -7.773 1.00 0.00 H new ATOM 0 HD23 LEU B 422 10.362 -0.411 -8.461 1.00 0.00 H new ATOM 810 N GLY B 423 9.247 3.966 -7.440 1.00 0.00 N ATOM 811 CA GLY B 423 9.283 5.322 -7.952 1.00 0.00 C ATOM 812 C GLY B 423 9.048 6.358 -6.870 1.00 0.00 C ATOM 813 O GLY B 423 9.812 6.446 -5.909 1.00 0.00 O ATOM 0 H GLY B 423 8.320 3.541 -7.418 1.00 0.00 H new ATOM 0 HA2 GLY B 423 10.250 5.504 -8.421 1.00 0.00 H new ATOM 0 HA3 GLY B 423 8.526 5.434 -8.728 1.00 0.00 H new ATOM 817 N ARG B 424 7.988 7.144 -7.027 1.00 0.00 N ATOM 818 CA ARG B 424 7.654 8.180 -6.056 1.00 0.00 C ATOM 819 C ARG B 424 7.350 7.569 -4.693 1.00 0.00 C ATOM 820 O ARG B 424 6.192 7.326 -4.354 1.00 0.00 O ATOM 821 CB ARG B 424 6.455 8.996 -6.542 1.00 0.00 C ATOM 822 CG ARG B 424 6.618 9.536 -7.953 1.00 0.00 C ATOM 823 CD ARG B 424 7.163 10.956 -7.945 1.00 0.00 C ATOM 824 NE ARG B 424 7.632 11.370 -9.266 1.00 0.00 N ATOM 825 CZ ARG B 424 7.849 12.636 -9.612 1.00 0.00 C ATOM 826 NH1 ARG B 424 7.641 13.614 -8.742 1.00 0.00 N ATOM 827 NH2 ARG B 424 8.277 12.924 -10.834 1.00 0.00 N ATOM 0 H ARG B 424 7.346 7.083 -7.817 1.00 0.00 H new ATOM 0 HA ARG B 424 8.516 8.840 -5.954 1.00 0.00 H new ATOM 0 HB2 ARG B 424 5.562 8.373 -6.501 1.00 0.00 H new ATOM 0 HB3 ARG B 424 6.293 9.830 -5.859 1.00 0.00 H new ATOM 0 HG2 ARG B 424 7.291 8.890 -8.516 1.00 0.00 H new ATOM 0 HG3 ARG B 424 5.656 9.517 -8.465 1.00 0.00 H new ATOM 0 HD2 ARG B 424 6.386 11.641 -7.605 1.00 0.00 H new ATOM 0 HD3 ARG B 424 7.983 11.025 -7.231 1.00 0.00 H new ATOM 0 HE ARG B 424 7.803 10.646 -9.963 1.00 0.00 H new ATOM 0 HH11 ARG B 424 7.313 13.398 -7.801 1.00 0.00 H new ATOM 0 HH12 ARG B 424 7.809 14.583 -9.014 1.00 0.00 H new ATOM 0 HH21 ARG B 424 8.439 12.175 -11.507 1.00 0.00 H new ATOM 0 HH22 ARG B 424 8.444 13.894 -11.100 1.00 0.00 H new ATOM 841 N GLY B 425 8.398 7.324 -3.912 1.00 0.00 N ATOM 842 CA GLY B 425 8.221 6.743 -2.595 1.00 0.00 C ATOM 843 C GLY B 425 9.170 7.332 -1.569 1.00 0.00 C ATOM 844 O GLY B 425 9.628 8.477 -1.773 1.00 0.00 O ATOM 845 OXT GLY B 425 9.456 6.650 -0.563 1.00 0.00 O ATOM 0 H GLY B 425 9.366 7.518 -4.168 1.00 0.00 H new ATOM 0 HA2 GLY B 425 7.193 6.900 -2.267 1.00 0.00 H new ATOM 0 HA3 GLY B 425 8.376 5.666 -2.653 1.00 0.00 H new TER 849 GLY B 425