USER MOD reduce.3.24.130724 H: found=0, std=0, add=414, rem=0, adj=8 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 180:sc= -0.217 USER MOD Single : A 655 SER OG : rot 47:sc= -4.64! USER MOD Single : A 657 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 661 TYR OH : rot -12:sc= -0.417 USER MOD Single : A 662 TYR OH : rot 180:sc= 0 USER MOD Single : A 664 SER OG : rot 4:sc= 1 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 -162:sc= -2.63! USER MOD Single : A 679 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 680 ASN : amide:sc= -0.892 K(o=-0.89,f=-0.091) USER MOD Single : A 681 LYS NZ :NH3+ 159:sc= -0.0534 (180deg=-0.568) USER MOD Single : A 682 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 683 ASN : amide:sc= -0.435 K(o=-0.44,f=-2.1!) USER MOD Single : B 410 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 411 HIS : no HD1:sc= -0.0678 X(o=-0.068,f=-0.19) USER MOD Single : B 412 ASN : amide:sc= -0.0287 X(o=-0.029,f=-0.29) USER MOD Single : B 413 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 415 SER OG : rot 31:sc= 0.463 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 651 8.309 3.521 14.679 1.00 0.00 N ATOM 2 CA GLY A 651 6.912 3.112 14.366 1.00 0.00 C ATOM 3 C GLY A 651 6.811 2.339 13.066 1.00 0.00 C ATOM 4 O GLY A 651 7.801 2.186 12.350 1.00 0.00 O ATOM 0 HA2 GLY A 651 6.525 2.499 15.180 1.00 0.00 H new ATOM 0 HA3 GLY A 651 6.282 3.999 14.307 1.00 0.00 H new ATOM 9 N ALA A 652 5.613 1.850 12.762 1.00 0.00 N ATOM 10 CA ALA A 652 5.389 1.089 11.539 1.00 0.00 C ATOM 11 C ALA A 652 4.743 1.954 10.463 1.00 0.00 C ATOM 12 O ALA A 652 3.910 1.481 9.691 1.00 0.00 O ATOM 13 CB ALA A 652 4.523 -0.129 11.827 1.00 0.00 C ATOM 0 H ALA A 652 4.784 1.967 13.345 1.00 0.00 H new ATOM 0 HA ALA A 652 6.358 0.755 11.167 1.00 0.00 H new ATOM 0 HB1 ALA A 652 4.364 -0.688 10.905 1.00 0.00 H new ATOM 0 HB2 ALA A 652 5.023 -0.766 12.556 1.00 0.00 H new ATOM 0 HB3 ALA A 652 3.562 0.194 12.226 1.00 0.00 H new ATOM 19 N ASP A 653 5.134 3.223 10.416 1.00 0.00 N ATOM 20 CA ASP A 653 4.590 4.150 9.432 1.00 0.00 C ATOM 21 C ASP A 653 5.087 3.803 8.033 1.00 0.00 C ATOM 22 O ASP A 653 5.892 4.528 7.446 1.00 0.00 O ATOM 23 CB ASP A 653 4.974 5.590 9.784 1.00 0.00 C ATOM 24 CG ASP A 653 6.469 5.760 9.971 1.00 0.00 C ATOM 25 OD1 ASP A 653 7.017 5.174 10.928 1.00 0.00 O ATOM 26 OD2 ASP A 653 7.090 6.479 9.162 1.00 0.00 O ATOM 0 H ASP A 653 5.824 3.632 11.046 1.00 0.00 H new ATOM 0 HA ASP A 653 3.504 4.062 9.446 1.00 0.00 H new ATOM 0 HB2 ASP A 653 4.631 6.258 8.994 1.00 0.00 H new ATOM 0 HB3 ASP A 653 4.460 5.887 10.698 1.00 0.00 H new ATOM 31 N TYR A 654 4.600 2.686 7.507 1.00 0.00 N ATOM 32 CA TYR A 654 4.988 2.230 6.174 1.00 0.00 C ATOM 33 C TYR A 654 3.812 2.258 5.208 1.00 0.00 C ATOM 34 O TYR A 654 3.997 2.191 3.994 1.00 0.00 O ATOM 35 CB TYR A 654 5.566 0.812 6.241 1.00 0.00 C ATOM 36 CG TYR A 654 4.562 -0.265 6.624 1.00 0.00 C ATOM 37 CD1 TYR A 654 3.396 0.037 7.333 1.00 0.00 C ATOM 38 CD2 TYR A 654 4.785 -1.595 6.280 1.00 0.00 C ATOM 39 CE1 TYR A 654 2.501 -0.942 7.681 1.00 0.00 C ATOM 40 CE2 TYR A 654 3.884 -2.583 6.629 1.00 0.00 C ATOM 41 CZ TYR A 654 2.744 -2.251 7.330 1.00 0.00 C ATOM 42 OH TYR A 654 1.845 -3.233 7.679 1.00 0.00 O ATOM 0 H TYR A 654 3.934 2.077 7.983 1.00 0.00 H new ATOM 0 HA TYR A 654 5.750 2.916 5.804 1.00 0.00 H new ATOM 0 HB2 TYR A 654 5.994 0.562 5.270 1.00 0.00 H new ATOM 0 HB3 TYR A 654 6.383 0.801 6.962 1.00 0.00 H new ATOM 0 HD1 TYR A 654 3.196 1.061 7.612 1.00 0.00 H new ATOM 0 HD2 TYR A 654 5.677 -1.859 5.731 1.00 0.00 H new ATOM 0 HE1 TYR A 654 1.607 -0.687 8.230 1.00 0.00 H new ATOM 0 HE2 TYR A 654 4.072 -3.610 6.354 1.00 0.00 H new ATOM 0 HH TYR A 654 2.166 -4.100 7.355 1.00 0.00 H new ATOM 52 N SER A 655 2.605 2.351 5.751 1.00 0.00 N ATOM 53 CA SER A 655 1.400 2.378 4.939 1.00 0.00 C ATOM 54 C SER A 655 1.511 3.382 3.802 1.00 0.00 C ATOM 55 O SER A 655 0.889 3.216 2.756 1.00 0.00 O ATOM 56 CB SER A 655 0.193 2.704 5.809 1.00 0.00 C ATOM 57 OG SER A 655 0.590 3.148 7.097 1.00 0.00 O ATOM 0 H SER A 655 2.436 2.409 6.755 1.00 0.00 H new ATOM 0 HA SER A 655 1.273 1.390 4.497 1.00 0.00 H new ATOM 0 HB2 SER A 655 -0.409 3.474 5.326 1.00 0.00 H new ATOM 0 HB3 SER A 655 -0.438 1.820 5.905 1.00 0.00 H new ATOM 0 HG SER A 655 1.299 3.819 7.008 1.00 0.00 H new ATOM 63 N ALA A 656 2.301 4.421 4.010 1.00 0.00 N ATOM 64 CA ALA A 656 2.481 5.442 2.995 1.00 0.00 C ATOM 65 C ALA A 656 3.186 4.876 1.782 1.00 0.00 C ATOM 66 O ALA A 656 2.601 4.751 0.707 1.00 0.00 O ATOM 67 CB ALA A 656 3.268 6.604 3.558 1.00 0.00 C ATOM 0 H ALA A 656 2.826 4.579 4.870 1.00 0.00 H new ATOM 0 HA ALA A 656 1.497 5.795 2.687 1.00 0.00 H new ATOM 0 HB1 ALA A 656 3.397 7.364 2.787 1.00 0.00 H new ATOM 0 HB2 ALA A 656 2.730 7.032 4.403 1.00 0.00 H new ATOM 0 HB3 ALA A 656 4.246 6.255 3.890 1.00 0.00 H new ATOM 73 N GLN A 657 4.449 4.532 1.966 1.00 0.00 N ATOM 74 CA GLN A 657 5.234 3.972 0.882 1.00 0.00 C ATOM 75 C GLN A 657 4.664 2.625 0.465 1.00 0.00 C ATOM 76 O GLN A 657 4.875 2.173 -0.658 1.00 0.00 O ATOM 77 CB GLN A 657 6.699 3.827 1.294 1.00 0.00 C ATOM 78 CG GLN A 657 7.678 4.082 0.159 1.00 0.00 C ATOM 79 CD GLN A 657 9.110 4.207 0.642 1.00 0.00 C ATOM 80 OE1 GLN A 657 9.729 5.264 0.519 1.00 0.00 O ATOM 81 NE2 GLN A 657 9.644 3.123 1.194 1.00 0.00 N ATOM 0 H GLN A 657 4.949 4.630 2.850 1.00 0.00 H new ATOM 0 HA GLN A 657 5.185 4.653 0.032 1.00 0.00 H new ATOM 0 HB2 GLN A 657 6.910 4.521 2.107 1.00 0.00 H new ATOM 0 HB3 GLN A 657 6.861 2.822 1.683 1.00 0.00 H new ATOM 0 HG2 GLN A 657 7.612 3.268 -0.563 1.00 0.00 H new ATOM 0 HG3 GLN A 657 7.393 4.995 -0.363 1.00 0.00 H new ATOM 0 HE21 GLN A 657 9.093 2.268 1.275 1.00 0.00 H new ATOM 0 HE22 GLN A 657 10.604 3.146 1.537 1.00 0.00 H new ATOM 90 N TRP A 658 3.924 1.987 1.368 1.00 0.00 N ATOM 91 CA TRP A 658 3.317 0.706 1.058 1.00 0.00 C ATOM 92 C TRP A 658 2.103 0.923 0.181 1.00 0.00 C ATOM 93 O TRP A 658 1.816 0.121 -0.705 1.00 0.00 O ATOM 94 CB TRP A 658 2.931 -0.049 2.331 1.00 0.00 C ATOM 95 CG TRP A 658 3.926 -1.098 2.719 1.00 0.00 C ATOM 96 CD1 TRP A 658 3.683 -2.230 3.443 1.00 0.00 C ATOM 97 CD2 TRP A 658 5.324 -1.117 2.401 1.00 0.00 C ATOM 98 NE1 TRP A 658 4.843 -2.950 3.596 1.00 0.00 N ATOM 99 CE2 TRP A 658 5.863 -2.287 2.965 1.00 0.00 C ATOM 100 CE3 TRP A 658 6.173 -0.259 1.695 1.00 0.00 C ATOM 101 CZ2 TRP A 658 7.208 -2.619 2.842 1.00 0.00 C ATOM 102 CZ3 TRP A 658 7.508 -0.591 1.576 1.00 0.00 C ATOM 103 CH2 TRP A 658 8.015 -1.763 2.146 1.00 0.00 C ATOM 0 H TRP A 658 3.735 2.335 2.308 1.00 0.00 H new ATOM 0 HA TRP A 658 4.046 0.096 0.524 1.00 0.00 H new ATOM 0 HB2 TRP A 658 2.825 0.663 3.150 1.00 0.00 H new ATOM 0 HB3 TRP A 658 1.957 -0.517 2.187 1.00 0.00 H new ATOM 0 HD1 TRP A 658 2.720 -2.517 3.838 1.00 0.00 H new ATOM 0 HE1 TRP A 658 4.931 -3.834 4.097 1.00 0.00 H new ATOM 0 HE3 TRP A 658 5.791 0.648 1.250 1.00 0.00 H new ATOM 0 HZ2 TRP A 658 7.602 -3.523 3.282 1.00 0.00 H new ATOM 0 HZ3 TRP A 658 8.172 0.066 1.033 1.00 0.00 H new ATOM 0 HH2 TRP A 658 9.064 -1.996 2.034 1.00 0.00 H new ATOM 114 N ALA A 659 1.404 2.030 0.407 1.00 0.00 N ATOM 115 CA ALA A 659 0.246 2.341 -0.403 1.00 0.00 C ATOM 116 C ALA A 659 0.699 2.653 -1.819 1.00 0.00 C ATOM 117 O ALA A 659 0.100 2.187 -2.787 1.00 0.00 O ATOM 118 CB ALA A 659 -0.555 3.504 0.183 1.00 0.00 C ATOM 0 H ALA A 659 1.619 2.713 1.133 1.00 0.00 H new ATOM 0 HA ALA A 659 -0.416 1.475 -0.416 1.00 0.00 H new ATOM 0 HB1 ALA A 659 -1.417 3.709 -0.452 1.00 0.00 H new ATOM 0 HB2 ALA A 659 -0.896 3.243 1.185 1.00 0.00 H new ATOM 0 HB3 ALA A 659 0.076 4.391 0.235 1.00 0.00 H new ATOM 124 N GLU A 660 1.785 3.427 -1.933 1.00 0.00 N ATOM 125 CA GLU A 660 2.337 3.785 -3.238 1.00 0.00 C ATOM 126 C GLU A 660 2.364 2.568 -4.151 1.00 0.00 C ATOM 127 O GLU A 660 2.215 2.681 -5.368 1.00 0.00 O ATOM 128 CB GLU A 660 3.746 4.388 -3.107 1.00 0.00 C ATOM 129 CG GLU A 660 4.880 3.371 -3.042 1.00 0.00 C ATOM 130 CD GLU A 660 5.752 3.385 -4.283 1.00 0.00 C ATOM 131 OE1 GLU A 660 5.752 4.406 -5.001 1.00 0.00 O ATOM 132 OE2 GLU A 660 6.438 2.371 -4.537 1.00 0.00 O ATOM 0 H GLU A 660 2.295 3.814 -1.139 1.00 0.00 H new ATOM 0 HA GLU A 660 1.690 4.544 -3.678 1.00 0.00 H new ATOM 0 HB2 GLU A 660 3.921 5.051 -3.954 1.00 0.00 H new ATOM 0 HB3 GLU A 660 3.779 5.004 -2.208 1.00 0.00 H new ATOM 0 HG2 GLU A 660 5.497 3.577 -2.167 1.00 0.00 H new ATOM 0 HG3 GLU A 660 4.461 2.374 -2.909 1.00 0.00 H new ATOM 139 N TYR A 661 2.546 1.399 -3.545 1.00 0.00 N ATOM 140 CA TYR A 661 2.581 0.158 -4.292 1.00 0.00 C ATOM 141 C TYR A 661 1.192 -0.205 -4.783 1.00 0.00 C ATOM 142 O TYR A 661 0.968 -0.377 -5.979 1.00 0.00 O ATOM 143 CB TYR A 661 3.142 -0.962 -3.418 1.00 0.00 C ATOM 144 CG TYR A 661 4.643 -0.939 -3.355 1.00 0.00 C ATOM 145 CD1 TYR A 661 5.379 -0.825 -4.519 1.00 0.00 C ATOM 146 CD2 TYR A 661 5.323 -1.016 -2.147 1.00 0.00 C ATOM 147 CE1 TYR A 661 6.750 -0.792 -4.496 1.00 0.00 C ATOM 148 CE2 TYR A 661 6.703 -0.978 -2.108 1.00 0.00 C ATOM 149 CZ TYR A 661 7.414 -0.866 -3.289 1.00 0.00 C ATOM 150 OH TYR A 661 8.790 -0.825 -3.261 1.00 0.00 O ATOM 0 H TYR A 661 2.671 1.291 -2.538 1.00 0.00 H new ATOM 0 HA TYR A 661 3.230 0.289 -5.158 1.00 0.00 H new ATOM 0 HB2 TYR A 661 2.737 -0.871 -2.410 1.00 0.00 H new ATOM 0 HB3 TYR A 661 2.812 -1.925 -3.808 1.00 0.00 H new ATOM 0 HD1 TYR A 661 4.864 -0.761 -5.466 1.00 0.00 H new ATOM 0 HD2 TYR A 661 4.766 -1.107 -1.226 1.00 0.00 H new ATOM 0 HE1 TYR A 661 7.307 -0.709 -5.418 1.00 0.00 H new ATOM 0 HE2 TYR A 661 7.223 -1.035 -1.163 1.00 0.00 H new ATOM 0 HH TYR A 661 9.139 -0.930 -4.171 1.00 0.00 H new ATOM 160 N TYR A 662 0.261 -0.302 -3.852 1.00 0.00 N ATOM 161 CA TYR A 662 -1.111 -0.634 -4.181 1.00 0.00 C ATOM 162 C TYR A 662 -1.761 0.479 -4.985 1.00 0.00 C ATOM 163 O TYR A 662 -2.810 0.282 -5.598 1.00 0.00 O ATOM 164 CB TYR A 662 -1.883 -0.919 -2.900 1.00 0.00 C ATOM 165 CG TYR A 662 -1.126 -1.836 -1.977 1.00 0.00 C ATOM 166 CD1 TYR A 662 -1.077 -3.204 -2.203 1.00 0.00 C ATOM 167 CD2 TYR A 662 -0.439 -1.325 -0.892 1.00 0.00 C ATOM 168 CE1 TYR A 662 -0.366 -4.036 -1.365 1.00 0.00 C ATOM 169 CE2 TYR A 662 0.276 -2.143 -0.048 1.00 0.00 C ATOM 170 CZ TYR A 662 0.312 -3.501 -0.286 1.00 0.00 C ATOM 171 OH TYR A 662 1.025 -4.327 0.553 1.00 0.00 O ATOM 0 H TYR A 662 0.432 -0.155 -2.857 1.00 0.00 H new ATOM 0 HA TYR A 662 -1.124 -1.529 -4.804 1.00 0.00 H new ATOM 0 HB2 TYR A 662 -2.093 0.019 -2.387 1.00 0.00 H new ATOM 0 HB3 TYR A 662 -2.845 -1.368 -3.149 1.00 0.00 H new ATOM 0 HD1 TYR A 662 -1.604 -3.623 -3.048 1.00 0.00 H new ATOM 0 HD2 TYR A 662 -0.464 -0.262 -0.703 1.00 0.00 H new ATOM 0 HE1 TYR A 662 -0.339 -5.100 -1.550 1.00 0.00 H new ATOM 0 HE2 TYR A 662 0.805 -1.725 0.795 1.00 0.00 H new ATOM 0 HH TYR A 662 1.443 -3.793 1.260 1.00 0.00 H new ATOM 181 N ARG A 663 -1.122 1.648 -5.006 1.00 0.00 N ATOM 182 CA ARG A 663 -1.645 2.765 -5.768 1.00 0.00 C ATOM 183 C ARG A 663 -1.326 2.592 -7.248 1.00 0.00 C ATOM 184 O ARG A 663 -1.808 3.352 -8.088 1.00 0.00 O ATOM 185 CB ARG A 663 -1.070 4.100 -5.275 1.00 0.00 C ATOM 186 CG ARG A 663 -1.445 4.466 -3.848 1.00 0.00 C ATOM 187 CD ARG A 663 -2.947 4.483 -3.638 1.00 0.00 C ATOM 188 NE ARG A 663 -3.504 5.829 -3.757 1.00 0.00 N ATOM 189 CZ ARG A 663 -3.417 6.754 -2.804 1.00 0.00 C ATOM 190 NH1 ARG A 663 -2.799 6.483 -1.662 1.00 0.00 N ATOM 191 NH2 ARG A 663 -3.950 7.952 -2.994 1.00 0.00 N ATOM 0 H ARG A 663 -0.252 1.839 -4.508 1.00 0.00 H new ATOM 0 HA ARG A 663 -2.726 2.781 -5.626 1.00 0.00 H new ATOM 0 HB2 ARG A 663 0.017 4.062 -5.352 1.00 0.00 H new ATOM 0 HB3 ARG A 663 -1.410 4.894 -5.940 1.00 0.00 H new ATOM 0 HG2 ARG A 663 -0.992 3.752 -3.160 1.00 0.00 H new ATOM 0 HG3 ARG A 663 -1.035 5.446 -3.606 1.00 0.00 H new ATOM 0 HD2 ARG A 663 -3.422 3.829 -4.369 1.00 0.00 H new ATOM 0 HD3 ARG A 663 -3.179 4.081 -2.652 1.00 0.00 H new ATOM 0 HE ARG A 663 -3.988 6.074 -4.621 1.00 0.00 H new ATOM 0 HH11 ARG A 663 -2.388 5.562 -1.511 1.00 0.00 H new ATOM 0 HH12 ARG A 663 -2.735 7.196 -0.935 1.00 0.00 H new ATOM 0 HH21 ARG A 663 -4.427 8.165 -3.870 1.00 0.00 H new ATOM 0 HH22 ARG A 663 -3.884 8.661 -2.264 1.00 0.00 H new ATOM 205 N SER A 664 -0.510 1.591 -7.564 1.00 0.00 N ATOM 206 CA SER A 664 -0.137 1.332 -8.943 1.00 0.00 C ATOM 207 C SER A 664 0.314 -0.110 -9.142 1.00 0.00 C ATOM 208 O SER A 664 0.994 -0.430 -10.118 1.00 0.00 O ATOM 209 CB SER A 664 0.943 2.307 -9.381 1.00 0.00 C ATOM 210 OG SER A 664 1.567 1.887 -10.582 1.00 0.00 O ATOM 0 H SER A 664 -0.098 0.951 -6.885 1.00 0.00 H new ATOM 0 HA SER A 664 -1.018 1.480 -9.567 1.00 0.00 H new ATOM 0 HB2 SER A 664 0.506 3.295 -9.523 1.00 0.00 H new ATOM 0 HB3 SER A 664 1.692 2.400 -8.594 1.00 0.00 H new ATOM 0 HG SER A 664 1.128 1.075 -10.912 1.00 0.00 H new ATOM 216 N VAL A 665 -0.099 -0.988 -8.234 1.00 0.00 N ATOM 217 CA VAL A 665 0.235 -2.401 -8.342 1.00 0.00 C ATOM 218 C VAL A 665 -1.015 -3.198 -8.702 1.00 0.00 C ATOM 219 O VAL A 665 -0.929 -4.358 -9.103 1.00 0.00 O ATOM 220 CB VAL A 665 0.877 -2.963 -7.048 1.00 0.00 C ATOM 221 CG1 VAL A 665 -0.177 -3.345 -6.014 1.00 0.00 C ATOM 222 CG2 VAL A 665 1.764 -4.155 -7.374 1.00 0.00 C ATOM 0 H VAL A 665 -0.663 -0.746 -7.419 1.00 0.00 H new ATOM 0 HA VAL A 665 0.980 -2.501 -9.132 1.00 0.00 H new ATOM 0 HB VAL A 665 1.490 -2.174 -6.612 1.00 0.00 H new ATOM 0 HG11 VAL A 665 0.313 -3.735 -5.122 1.00 0.00 H new ATOM 0 HG12 VAL A 665 -0.764 -2.465 -5.751 1.00 0.00 H new ATOM 0 HG13 VAL A 665 -0.834 -4.109 -6.430 1.00 0.00 H new ATOM 0 HG21 VAL A 665 2.208 -4.540 -6.456 1.00 0.00 H new ATOM 0 HG22 VAL A 665 1.166 -4.936 -7.843 1.00 0.00 H new ATOM 0 HG23 VAL A 665 2.554 -3.844 -8.057 1.00 0.00 H new ATOM 232 N GLY A 666 -2.180 -2.558 -8.568 1.00 0.00 N ATOM 233 CA GLY A 666 -3.426 -3.223 -8.899 1.00 0.00 C ATOM 234 C GLY A 666 -4.417 -3.231 -7.754 1.00 0.00 C ATOM 235 O GLY A 666 -5.077 -4.241 -7.508 1.00 0.00 O ATOM 0 H GLY A 666 -2.278 -1.598 -8.238 1.00 0.00 H new ATOM 0 HA2 GLY A 666 -3.878 -2.729 -9.759 1.00 0.00 H new ATOM 0 HA3 GLY A 666 -3.215 -4.250 -9.196 1.00 0.00 H new ATOM 239 N LYS A 667 -4.532 -2.107 -7.055 1.00 0.00 N ATOM 240 CA LYS A 667 -5.462 -2.006 -5.936 1.00 0.00 C ATOM 241 C LYS A 667 -5.429 -0.618 -5.300 1.00 0.00 C ATOM 242 O LYS A 667 -5.337 -0.491 -4.081 1.00 0.00 O ATOM 243 CB LYS A 667 -5.150 -3.074 -4.882 1.00 0.00 C ATOM 244 CG LYS A 667 -3.663 -3.276 -4.632 1.00 0.00 C ATOM 245 CD LYS A 667 -3.206 -4.663 -5.061 1.00 0.00 C ATOM 246 CE LYS A 667 -3.933 -5.752 -4.292 1.00 0.00 C ATOM 247 NZ LYS A 667 -3.150 -7.018 -4.247 1.00 0.00 N ATOM 0 H LYS A 667 -3.997 -1.259 -7.241 1.00 0.00 H new ATOM 0 HA LYS A 667 -6.465 -2.172 -6.328 1.00 0.00 H new ATOM 0 HB2 LYS A 667 -5.632 -2.797 -3.944 1.00 0.00 H new ATOM 0 HB3 LYS A 667 -5.588 -4.021 -5.198 1.00 0.00 H new ATOM 0 HG2 LYS A 667 -3.096 -2.521 -5.177 1.00 0.00 H new ATOM 0 HG3 LYS A 667 -3.449 -3.133 -3.573 1.00 0.00 H new ATOM 0 HD2 LYS A 667 -3.382 -4.791 -6.129 1.00 0.00 H new ATOM 0 HD3 LYS A 667 -2.132 -4.759 -4.901 1.00 0.00 H new ATOM 0 HE2 LYS A 667 -4.129 -5.410 -3.276 1.00 0.00 H new ATOM 0 HE3 LYS A 667 -4.901 -5.940 -4.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 667 -3.681 -7.736 -3.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 667 -2.985 -7.359 -5.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 667 -2.237 -6.845 -3.781 1.00 0.00 H new ATOM 261 N ILE A 668 -5.522 0.420 -6.129 1.00 0.00 N ATOM 262 CA ILE A 668 -5.519 1.797 -5.636 1.00 0.00 C ATOM 263 C ILE A 668 -6.586 1.983 -4.574 1.00 0.00 C ATOM 264 O ILE A 668 -6.316 2.457 -3.471 1.00 0.00 O ATOM 265 CB ILE A 668 -5.768 2.806 -6.777 1.00 0.00 C ATOM 266 CG1 ILE A 668 -4.497 2.974 -7.587 1.00 0.00 C ATOM 267 CG2 ILE A 668 -6.232 4.153 -6.233 1.00 0.00 C ATOM 268 CD1 ILE A 668 -4.081 1.718 -8.314 1.00 0.00 C ATOM 0 H ILE A 668 -5.600 0.335 -7.142 1.00 0.00 H new ATOM 0 HA ILE A 668 -4.534 1.985 -5.208 1.00 0.00 H new ATOM 0 HB ILE A 668 -6.560 2.418 -7.417 1.00 0.00 H new ATOM 0 HG12 ILE A 668 -4.640 3.775 -8.313 1.00 0.00 H new ATOM 0 HG13 ILE A 668 -3.690 3.285 -6.924 1.00 0.00 H new ATOM 0 HG21 ILE A 668 -6.399 4.842 -7.061 1.00 0.00 H new ATOM 0 HG22 ILE A 668 -7.161 4.021 -5.678 1.00 0.00 H new ATOM 0 HG23 ILE A 668 -5.468 4.560 -5.570 1.00 0.00 H new ATOM 0 HD11 ILE A 668 -3.165 1.908 -8.874 1.00 0.00 H new ATOM 0 HD12 ILE A 668 -3.906 0.920 -7.592 1.00 0.00 H new ATOM 0 HD13 ILE A 668 -4.871 1.417 -9.002 1.00 0.00 H new ATOM 280 N GLU A 669 -7.801 1.594 -4.916 1.00 0.00 N ATOM 281 CA GLU A 669 -8.923 1.696 -4.004 1.00 0.00 C ATOM 282 C GLU A 669 -8.553 1.108 -2.653 1.00 0.00 C ATOM 283 O GLU A 669 -8.643 1.783 -1.626 1.00 0.00 O ATOM 284 CB GLU A 669 -10.119 0.971 -4.610 1.00 0.00 C ATOM 285 CG GLU A 669 -11.442 1.691 -4.404 1.00 0.00 C ATOM 286 CD GLU A 669 -11.874 2.477 -5.626 1.00 0.00 C ATOM 287 OE1 GLU A 669 -12.001 1.868 -6.709 1.00 0.00 O ATOM 288 OE2 GLU A 669 -12.087 3.701 -5.500 1.00 0.00 O ATOM 0 H GLU A 669 -8.036 1.201 -5.828 1.00 0.00 H new ATOM 0 HA GLU A 669 -9.184 2.743 -3.850 1.00 0.00 H new ATOM 0 HB2 GLU A 669 -9.950 0.841 -5.679 1.00 0.00 H new ATOM 0 HB3 GLU A 669 -10.187 -0.026 -4.174 1.00 0.00 H new ATOM 0 HG2 GLU A 669 -12.213 0.962 -4.154 1.00 0.00 H new ATOM 0 HG3 GLU A 669 -11.355 2.367 -3.554 1.00 0.00 H new ATOM 295 N GLU A 670 -8.092 -0.133 -2.662 1.00 0.00 N ATOM 296 CA GLU A 670 -7.660 -0.774 -1.435 1.00 0.00 C ATOM 297 C GLU A 670 -6.400 -0.088 -0.939 1.00 0.00 C ATOM 298 O GLU A 670 -6.100 -0.113 0.255 1.00 0.00 O ATOM 299 CB GLU A 670 -7.405 -2.266 -1.660 1.00 0.00 C ATOM 300 CG GLU A 670 -8.490 -2.952 -2.474 1.00 0.00 C ATOM 301 CD GLU A 670 -8.130 -3.073 -3.941 1.00 0.00 C ATOM 302 OE1 GLU A 670 -8.056 -2.029 -4.622 1.00 0.00 O ATOM 303 OE2 GLU A 670 -7.920 -4.212 -4.410 1.00 0.00 O ATOM 0 H GLU A 670 -8.009 -0.710 -3.499 1.00 0.00 H new ATOM 0 HA GLU A 670 -8.446 -0.683 -0.685 1.00 0.00 H new ATOM 0 HB2 GLU A 670 -6.448 -2.390 -2.167 1.00 0.00 H new ATOM 0 HB3 GLU A 670 -7.320 -2.762 -0.693 1.00 0.00 H new ATOM 0 HG2 GLU A 670 -8.672 -3.946 -2.065 1.00 0.00 H new ATOM 0 HG3 GLU A 670 -9.420 -2.392 -2.377 1.00 0.00 H new ATOM 310 N ALA A 671 -5.671 0.557 -1.856 1.00 0.00 N ATOM 311 CA ALA A 671 -4.473 1.266 -1.474 1.00 0.00 C ATOM 312 C ALA A 671 -4.835 2.454 -0.592 1.00 0.00 C ATOM 313 O ALA A 671 -3.992 2.986 0.130 1.00 0.00 O ATOM 314 CB ALA A 671 -3.671 1.688 -2.683 1.00 0.00 C ATOM 0 H ALA A 671 -5.895 0.596 -2.850 1.00 0.00 H new ATOM 0 HA ALA A 671 -3.837 0.593 -0.899 1.00 0.00 H new ATOM 0 HB1 ALA A 671 -2.776 2.219 -2.359 1.00 0.00 H new ATOM 0 HB2 ALA A 671 -3.382 0.806 -3.254 1.00 0.00 H new ATOM 0 HB3 ALA A 671 -4.275 2.344 -3.309 1.00 0.00 H new ATOM 320 N GLU A 672 -6.110 2.839 -0.609 1.00 0.00 N ATOM 321 CA GLU A 672 -6.564 3.914 0.253 1.00 0.00 C ATOM 322 C GLU A 672 -6.755 3.356 1.661 1.00 0.00 C ATOM 323 O GLU A 672 -6.963 4.099 2.619 1.00 0.00 O ATOM 324 CB GLU A 672 -7.863 4.530 -0.271 1.00 0.00 C ATOM 325 CG GLU A 672 -7.872 4.743 -1.778 1.00 0.00 C ATOM 326 CD GLU A 672 -8.388 6.113 -2.170 1.00 0.00 C ATOM 327 OE1 GLU A 672 -9.314 6.613 -1.498 1.00 0.00 O ATOM 328 OE2 GLU A 672 -7.866 6.687 -3.150 1.00 0.00 O ATOM 0 H GLU A 672 -6.831 2.427 -1.201 1.00 0.00 H new ATOM 0 HA GLU A 672 -5.818 4.708 0.269 1.00 0.00 H new ATOM 0 HB2 GLU A 672 -8.697 3.884 0.001 1.00 0.00 H new ATOM 0 HB3 GLU A 672 -8.027 5.487 0.224 1.00 0.00 H new ATOM 0 HG2 GLU A 672 -6.861 4.615 -2.165 1.00 0.00 H new ATOM 0 HG3 GLU A 672 -8.492 3.978 -2.246 1.00 0.00 H new ATOM 335 N ALA A 673 -6.644 2.028 1.772 1.00 0.00 N ATOM 336 CA ALA A 673 -6.756 1.348 3.047 1.00 0.00 C ATOM 337 C ALA A 673 -5.399 1.346 3.739 1.00 0.00 C ATOM 338 O ALA A 673 -5.306 1.361 4.967 1.00 0.00 O ATOM 339 CB ALA A 673 -7.263 -0.074 2.853 1.00 0.00 C ATOM 0 H ALA A 673 -6.475 1.407 0.981 1.00 0.00 H new ATOM 0 HA ALA A 673 -7.475 1.876 3.673 1.00 0.00 H new ATOM 0 HB1 ALA A 673 -7.340 -0.568 3.822 1.00 0.00 H new ATOM 0 HB2 ALA A 673 -8.244 -0.049 2.379 1.00 0.00 H new ATOM 0 HB3 ALA A 673 -6.568 -0.625 2.219 1.00 0.00 H new ATOM 345 N ILE A 674 -4.348 1.352 2.922 1.00 0.00 N ATOM 346 CA ILE A 674 -2.974 1.380 3.420 1.00 0.00 C ATOM 347 C ILE A 674 -2.754 2.636 4.233 1.00 0.00 C ATOM 348 O ILE A 674 -2.392 2.578 5.402 1.00 0.00 O ATOM 349 CB ILE A 674 -1.913 1.376 2.286 1.00 0.00 C ATOM 350 CG1 ILE A 674 -2.503 0.891 0.957 1.00 0.00 C ATOM 351 CG2 ILE A 674 -0.693 0.558 2.682 1.00 0.00 C ATOM 352 CD1 ILE A 674 -2.636 -0.605 0.811 1.00 0.00 C ATOM 0 H ILE A 674 -4.423 1.338 1.905 1.00 0.00 H new ATOM 0 HA ILE A 674 -2.850 0.476 4.016 1.00 0.00 H new ATOM 0 HB ILE A 674 -1.591 2.407 2.137 1.00 0.00 H new ATOM 0 HG12 ILE A 674 -3.489 1.339 0.832 1.00 0.00 H new ATOM 0 HG13 ILE A 674 -1.878 1.263 0.145 1.00 0.00 H new ATOM 0 HG21 ILE A 674 0.034 0.572 1.870 1.00 0.00 H new ATOM 0 HG22 ILE A 674 -0.244 0.985 3.578 1.00 0.00 H new ATOM 0 HG23 ILE A 674 -0.994 -0.470 2.882 1.00 0.00 H new ATOM 0 HD11 ILE A 674 -3.063 -0.839 -0.164 1.00 0.00 H new ATOM 0 HD12 ILE A 674 -1.653 -1.068 0.897 1.00 0.00 H new ATOM 0 HD13 ILE A 674 -3.288 -0.990 1.595 1.00 0.00 H new ATOM 364 N GLU A 675 -2.977 3.780 3.596 1.00 0.00 N ATOM 365 CA GLU A 675 -2.796 5.067 4.257 1.00 0.00 C ATOM 366 C GLU A 675 -3.422 5.070 5.650 1.00 0.00 C ATOM 367 O GLU A 675 -2.992 5.817 6.525 1.00 0.00 O ATOM 368 CB GLU A 675 -3.356 6.213 3.401 1.00 0.00 C ATOM 369 CG GLU A 675 -4.338 5.770 2.327 1.00 0.00 C ATOM 370 CD GLU A 675 -5.142 6.923 1.758 1.00 0.00 C ATOM 371 OE1 GLU A 675 -4.525 7.878 1.241 1.00 0.00 O ATOM 372 OE2 GLU A 675 -6.387 6.871 1.831 1.00 0.00 O ATOM 0 H GLU A 675 -3.283 3.843 2.625 1.00 0.00 H new ATOM 0 HA GLU A 675 -1.724 5.228 4.374 1.00 0.00 H new ATOM 0 HB2 GLU A 675 -3.851 6.931 4.055 1.00 0.00 H new ATOM 0 HB3 GLU A 675 -2.526 6.734 2.925 1.00 0.00 H new ATOM 0 HG2 GLU A 675 -3.792 5.280 1.521 1.00 0.00 H new ATOM 0 HG3 GLU A 675 -5.019 5.029 2.746 1.00 0.00 H new ATOM 379 N LYS A 676 -4.427 4.224 5.861 1.00 0.00 N ATOM 380 CA LYS A 676 -5.074 4.141 7.167 1.00 0.00 C ATOM 381 C LYS A 676 -4.139 3.521 8.205 1.00 0.00 C ATOM 382 O LYS A 676 -4.244 3.818 9.395 1.00 0.00 O ATOM 383 CB LYS A 676 -6.368 3.331 7.075 1.00 0.00 C ATOM 384 CG LYS A 676 -7.454 3.808 8.026 1.00 0.00 C ATOM 385 CD LYS A 676 -8.387 2.675 8.420 1.00 0.00 C ATOM 386 CE LYS A 676 -9.151 2.999 9.694 1.00 0.00 C ATOM 387 NZ LYS A 676 -9.626 1.769 10.386 1.00 0.00 N ATOM 0 H LYS A 676 -4.807 3.594 5.155 1.00 0.00 H new ATOM 0 HA LYS A 676 -5.315 5.155 7.485 1.00 0.00 H new ATOM 0 HB2 LYS A 676 -6.745 3.379 6.053 1.00 0.00 H new ATOM 0 HB3 LYS A 676 -6.147 2.284 7.285 1.00 0.00 H new ATOM 0 HG2 LYS A 676 -6.996 4.231 8.920 1.00 0.00 H new ATOM 0 HG3 LYS A 676 -8.028 4.606 7.554 1.00 0.00 H new ATOM 0 HD2 LYS A 676 -9.092 2.485 7.611 1.00 0.00 H new ATOM 0 HD3 LYS A 676 -7.811 1.761 8.563 1.00 0.00 H new ATOM 0 HE2 LYS A 676 -8.510 3.569 10.366 1.00 0.00 H new ATOM 0 HE3 LYS A 676 -10.005 3.633 9.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 676 -10.142 2.034 11.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 676 -10.258 1.237 9.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 676 -8.810 1.176 10.638 1.00 0.00 H new ATOM 401 N THR A 677 -3.214 2.674 7.755 1.00 0.00 N ATOM 402 CA THR A 677 -2.264 2.045 8.670 1.00 0.00 C ATOM 403 C THR A 677 -1.360 3.102 9.289 1.00 0.00 C ATOM 404 O THR A 677 -0.842 2.917 10.389 1.00 0.00 O ATOM 405 CB THR A 677 -1.420 0.972 7.965 1.00 0.00 C ATOM 406 OG1 THR A 677 -1.969 0.638 6.702 1.00 0.00 O ATOM 407 CG2 THR A 677 -1.312 -0.310 8.761 1.00 0.00 C ATOM 0 H THR A 677 -3.103 2.410 6.776 1.00 0.00 H new ATOM 0 HA THR A 677 -2.835 1.551 9.456 1.00 0.00 H new ATOM 0 HB THR A 677 -0.429 1.413 7.858 1.00 0.00 H new ATOM 0 HG1 THR A 677 -1.600 -0.219 6.401 1.00 0.00 H new ATOM 0 HG21 THR A 677 -0.704 -1.029 8.212 1.00 0.00 H new ATOM 0 HG22 THR A 677 -0.846 -0.102 9.724 1.00 0.00 H new ATOM 0 HG23 THR A 677 -2.308 -0.724 8.921 1.00 0.00 H new ATOM 415 N LEU A 678 -1.187 4.224 8.587 1.00 0.00 N ATOM 416 CA LEU A 678 -0.359 5.312 9.093 1.00 0.00 C ATOM 417 C LEU A 678 -0.823 5.706 10.486 1.00 0.00 C ATOM 418 O LEU A 678 -0.020 6.085 11.338 1.00 0.00 O ATOM 419 CB LEU A 678 -0.420 6.523 8.160 1.00 0.00 C ATOM 420 CG LEU A 678 0.647 6.549 7.064 1.00 0.00 C ATOM 421 CD1 LEU A 678 0.165 5.791 5.838 1.00 0.00 C ATOM 422 CD2 LEU A 678 1.003 7.985 6.706 1.00 0.00 C ATOM 0 H LEU A 678 -1.607 4.399 7.674 1.00 0.00 H new ATOM 0 HA LEU A 678 0.674 4.968 9.139 1.00 0.00 H new ATOM 0 HB2 LEU A 678 -1.403 6.551 7.690 1.00 0.00 H new ATOM 0 HB3 LEU A 678 -0.327 7.429 8.759 1.00 0.00 H new ATOM 0 HG LEU A 678 1.545 6.057 7.438 1.00 0.00 H new ATOM 0 HD11 LEU A 678 0.935 5.819 5.067 1.00 0.00 H new ATOM 0 HD12 LEU A 678 -0.041 4.755 6.108 1.00 0.00 H new ATOM 0 HD13 LEU A 678 -0.745 6.255 5.458 1.00 0.00 H new ATOM 0 HD21 LEU A 678 1.763 7.987 5.925 1.00 0.00 H new ATOM 0 HD22 LEU A 678 0.113 8.502 6.348 1.00 0.00 H new ATOM 0 HD23 LEU A 678 1.388 8.495 7.589 1.00 0.00 H new ATOM 434 N LYS A 679 -2.130 5.592 10.715 1.00 0.00 N ATOM 435 CA LYS A 679 -2.702 5.916 12.015 1.00 0.00 C ATOM 436 C LYS A 679 -2.024 5.105 13.120 1.00 0.00 C ATOM 437 O LYS A 679 -2.076 5.474 14.294 1.00 0.00 O ATOM 438 CB LYS A 679 -4.208 5.647 12.013 1.00 0.00 C ATOM 439 CG LYS A 679 -4.929 6.211 13.225 1.00 0.00 C ATOM 440 CD LYS A 679 -5.551 7.565 12.923 1.00 0.00 C ATOM 441 CE LYS A 679 -4.496 8.587 12.531 1.00 0.00 C ATOM 442 NZ LYS A 679 -5.094 9.920 12.243 1.00 0.00 N ATOM 0 H LYS A 679 -2.808 5.279 10.020 1.00 0.00 H new ATOM 0 HA LYS A 679 -2.533 6.975 12.210 1.00 0.00 H new ATOM 0 HB2 LYS A 679 -4.644 6.075 11.110 1.00 0.00 H new ATOM 0 HB3 LYS A 679 -4.376 4.571 11.969 1.00 0.00 H new ATOM 0 HG2 LYS A 679 -5.706 5.516 13.544 1.00 0.00 H new ATOM 0 HG3 LYS A 679 -4.228 6.308 14.054 1.00 0.00 H new ATOM 0 HD2 LYS A 679 -6.277 7.462 12.116 1.00 0.00 H new ATOM 0 HD3 LYS A 679 -6.096 7.920 13.798 1.00 0.00 H new ATOM 0 HE2 LYS A 679 -3.767 8.682 13.335 1.00 0.00 H new ATOM 0 HE3 LYS A 679 -3.957 8.233 11.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 679 -4.342 10.588 11.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 679 -5.771 9.834 11.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 679 -5.587 10.270 13.089 1.00 0.00 H new ATOM 456 N ASN A 680 -1.387 3.995 12.736 1.00 0.00 N ATOM 457 CA ASN A 680 -0.696 3.129 13.688 1.00 0.00 C ATOM 458 C ASN A 680 0.165 3.943 14.652 1.00 0.00 C ATOM 459 O ASN A 680 -0.218 4.169 15.800 1.00 0.00 O ATOM 460 CB ASN A 680 0.176 2.110 12.943 1.00 0.00 C ATOM 461 CG ASN A 680 -0.582 0.843 12.596 1.00 0.00 C ATOM 462 OD1 ASN A 680 -0.082 -0.265 12.789 1.00 0.00 O ATOM 463 ND2 ASN A 680 -1.795 1.002 12.081 1.00 0.00 N ATOM 0 H ASN A 680 -1.337 3.677 11.768 1.00 0.00 H new ATOM 0 HA ASN A 680 -1.452 2.600 14.268 1.00 0.00 H new ATOM 0 HB2 ASN A 680 0.558 2.563 12.028 1.00 0.00 H new ATOM 0 HB3 ASN A 680 1.039 1.856 13.558 1.00 0.00 H new ATOM 0 HD21 ASN A 680 -2.353 0.186 11.828 1.00 0.00 H new ATOM 0 HD22 ASN A 680 -2.170 1.940 11.938 1.00 0.00 H new ATOM 470 N LYS A 681 1.327 4.381 14.179 1.00 0.00 N ATOM 471 CA LYS A 681 2.238 5.170 14.999 1.00 0.00 C ATOM 472 C LYS A 681 2.643 4.402 16.254 1.00 0.00 C ATOM 473 O LYS A 681 2.404 4.852 17.375 1.00 0.00 O ATOM 474 CB LYS A 681 1.587 6.500 15.382 1.00 0.00 C ATOM 475 CG LYS A 681 2.589 7.602 15.689 1.00 0.00 C ATOM 476 CD LYS A 681 2.083 8.523 16.787 1.00 0.00 C ATOM 477 CE LYS A 681 1.079 9.530 16.250 1.00 0.00 C ATOM 478 NZ LYS A 681 -0.290 8.953 16.154 1.00 0.00 N ATOM 0 H LYS A 681 1.660 4.203 13.231 1.00 0.00 H new ATOM 0 HA LYS A 681 3.136 5.370 14.415 1.00 0.00 H new ATOM 0 HB2 LYS A 681 0.939 6.826 14.568 1.00 0.00 H new ATOM 0 HB3 LYS A 681 0.951 6.346 16.253 1.00 0.00 H new ATOM 0 HG2 LYS A 681 3.538 7.159 15.992 1.00 0.00 H new ATOM 0 HG3 LYS A 681 2.782 8.182 14.786 1.00 0.00 H new ATOM 0 HD2 LYS A 681 1.619 7.930 17.576 1.00 0.00 H new ATOM 0 HD3 LYS A 681 2.924 9.051 17.237 1.00 0.00 H new ATOM 0 HE2 LYS A 681 1.059 10.405 16.900 1.00 0.00 H new ATOM 0 HE3 LYS A 681 1.399 9.872 15.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 681 -0.990 9.722 16.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 681 -0.369 8.390 15.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 681 -0.468 8.343 16.977 1.00 0.00 H new ATOM 492 N GLN A 682 3.257 3.241 16.057 1.00 0.00 N ATOM 493 CA GLN A 682 3.695 2.408 17.171 1.00 0.00 C ATOM 494 C GLN A 682 5.175 2.629 17.467 1.00 0.00 C ATOM 495 O GLN A 682 5.881 1.705 17.874 1.00 0.00 O ATOM 496 CB GLN A 682 3.439 0.933 16.864 1.00 0.00 C ATOM 497 CG GLN A 682 2.004 0.498 17.117 1.00 0.00 C ATOM 498 CD GLN A 682 1.762 -0.954 16.754 1.00 0.00 C ATOM 499 OE1 GLN A 682 2.595 -1.820 17.023 1.00 0.00 O ATOM 500 NE2 GLN A 682 0.617 -1.227 16.140 1.00 0.00 N ATOM 0 H GLN A 682 3.463 2.855 15.136 1.00 0.00 H new ATOM 0 HA GLN A 682 3.120 2.693 18.052 1.00 0.00 H new ATOM 0 HB2 GLN A 682 3.690 0.739 15.821 1.00 0.00 H new ATOM 0 HB3 GLN A 682 4.107 0.323 17.472 1.00 0.00 H new ATOM 0 HG2 GLN A 682 1.762 0.651 18.169 1.00 0.00 H new ATOM 0 HG3 GLN A 682 1.329 1.130 16.540 1.00 0.00 H new ATOM 0 HE21 GLN A 682 -0.044 -0.477 15.937 1.00 0.00 H new ATOM 0 HE22 GLN A 682 0.398 -2.186 15.871 1.00 0.00 H new ATOM 509 N ASN A 683 5.639 3.856 17.261 1.00 0.00 N ATOM 510 CA ASN A 683 7.036 4.197 17.507 1.00 0.00 C ATOM 511 C ASN A 683 7.383 4.041 18.984 1.00 0.00 C ATOM 512 O ASN A 683 7.138 4.994 19.751 1.00 0.00 O ATOM 513 CB ASN A 683 7.321 5.630 17.052 1.00 0.00 C ATOM 514 CG ASN A 683 8.793 5.981 17.137 1.00 0.00 C ATOM 515 OD1 ASN A 683 9.403 5.901 18.204 1.00 0.00 O ATOM 516 ND2 ASN A 683 9.373 6.375 16.009 1.00 0.00 N ATOM 517 OXT ASN A 683 7.896 2.966 19.359 1.00 0.00 O ATOM 0 H ASN A 683 5.069 4.632 16.924 1.00 0.00 H new ATOM 0 HA ASN A 683 7.658 3.510 16.932 1.00 0.00 H new ATOM 0 HB2 ASN A 683 6.979 5.757 16.025 1.00 0.00 H new ATOM 0 HB3 ASN A 683 6.749 6.324 17.667 1.00 0.00 H new ATOM 0 HD21 ASN A 683 10.362 6.626 16.004 1.00 0.00 H new ATOM 0 HD22 ASN A 683 8.830 6.427 15.147 1.00 0.00 H new TER 524 ASN A 683 ATOM 525 N ARG B 405 -3.282 -7.036 17.569 1.00 0.00 N ATOM 526 CA ARG B 405 -4.300 -5.976 17.794 1.00 0.00 C ATOM 527 C ARG B 405 -5.485 -6.509 18.593 1.00 0.00 C ATOM 528 O ARG B 405 -6.493 -6.926 18.021 1.00 0.00 O ATOM 529 CB ARG B 405 -4.770 -5.454 16.435 1.00 0.00 C ATOM 530 CG ARG B 405 -5.133 -6.558 15.453 1.00 0.00 C ATOM 531 CD ARG B 405 -6.140 -6.078 14.419 1.00 0.00 C ATOM 532 NE ARG B 405 -5.541 -5.943 13.093 1.00 0.00 N ATOM 533 CZ ARG B 405 -4.811 -4.896 12.712 1.00 0.00 C ATOM 534 NH1 ARG B 405 -4.585 -3.894 13.552 1.00 0.00 N ATOM 535 NH2 ARG B 405 -4.304 -4.854 11.488 1.00 0.00 N ATOM 0 HA ARG B 405 -3.852 -5.168 18.372 1.00 0.00 H new ATOM 0 HB2 ARG B 405 -5.637 -4.810 16.582 1.00 0.00 H new ATOM 0 HB3 ARG B 405 -3.984 -4.836 16.001 1.00 0.00 H new ATOM 0 HG2 ARG B 405 -4.232 -6.908 14.949 1.00 0.00 H new ATOM 0 HG3 ARG B 405 -5.546 -7.408 15.996 1.00 0.00 H new ATOM 0 HD2 ARG B 405 -6.973 -6.780 14.371 1.00 0.00 H new ATOM 0 HD3 ARG B 405 -6.550 -5.118 14.731 1.00 0.00 H new ATOM 0 HE ARG B 405 -5.691 -6.695 12.420 1.00 0.00 H new ATOM 0 HH11 ARG B 405 -4.971 -3.923 14.496 1.00 0.00 H new ATOM 0 HH12 ARG B 405 -4.025 -3.095 13.254 1.00 0.00 H new ATOM 0 HH21 ARG B 405 -4.473 -5.623 10.839 1.00 0.00 H new ATOM 0 HH22 ARG B 405 -3.745 -4.053 11.195 1.00 0.00 H new ATOM 550 N PRO B 406 -5.381 -6.503 19.933 1.00 0.00 N ATOM 551 CA PRO B 406 -6.450 -6.989 20.811 1.00 0.00 C ATOM 552 C PRO B 406 -7.773 -6.258 20.584 1.00 0.00 C ATOM 553 O PRO B 406 -8.828 -6.886 20.500 1.00 0.00 O ATOM 554 CB PRO B 406 -5.921 -6.712 22.224 1.00 0.00 C ATOM 555 CG PRO B 406 -4.444 -6.594 22.067 1.00 0.00 C ATOM 556 CD PRO B 406 -4.216 -6.023 20.696 1.00 0.00 C ATOM 0 HA PRO B 406 -6.671 -8.040 20.627 1.00 0.00 H new ATOM 0 HB2 PRO B 406 -6.349 -5.797 22.633 1.00 0.00 H new ATOM 0 HB3 PRO B 406 -6.182 -7.519 22.908 1.00 0.00 H new ATOM 0 HG2 PRO B 406 -4.021 -5.946 22.835 1.00 0.00 H new ATOM 0 HG3 PRO B 406 -3.962 -7.566 22.170 1.00 0.00 H new ATOM 0 HD2 PRO B 406 -4.169 -4.934 20.716 1.00 0.00 H new ATOM 0 HD3 PRO B 406 -3.279 -6.375 20.264 1.00 0.00 H new ATOM 564 N PRO B 407 -7.741 -4.915 20.479 1.00 0.00 N ATOM 565 CA PRO B 407 -8.950 -4.114 20.260 1.00 0.00 C ATOM 566 C PRO B 407 -9.774 -4.620 19.079 1.00 0.00 C ATOM 567 O PRO B 407 -9.251 -5.284 18.184 1.00 0.00 O ATOM 568 CB PRO B 407 -8.403 -2.715 19.968 1.00 0.00 C ATOM 569 CG PRO B 407 -7.080 -2.677 20.650 1.00 0.00 C ATOM 570 CD PRO B 407 -6.530 -4.074 20.565 1.00 0.00 C ATOM 0 HA PRO B 407 -9.624 -4.152 21.116 1.00 0.00 H new ATOM 0 HB2 PRO B 407 -8.301 -2.545 18.896 1.00 0.00 H new ATOM 0 HB3 PRO B 407 -9.069 -1.942 20.351 1.00 0.00 H new ATOM 0 HG2 PRO B 407 -6.412 -1.964 20.166 1.00 0.00 H new ATOM 0 HG3 PRO B 407 -7.185 -2.361 21.688 1.00 0.00 H new ATOM 0 HD2 PRO B 407 -5.890 -4.201 19.692 1.00 0.00 H new ATOM 0 HD3 PRO B 407 -5.929 -4.323 21.440 1.00 0.00 H new ATOM 578 N PRO B 408 -11.083 -4.312 19.062 1.00 0.00 N ATOM 579 CA PRO B 408 -11.980 -4.738 17.983 1.00 0.00 C ATOM 580 C PRO B 408 -11.445 -4.368 16.604 1.00 0.00 C ATOM 581 O PRO B 408 -11.319 -3.189 16.273 1.00 0.00 O ATOM 582 CB PRO B 408 -13.276 -3.980 18.276 1.00 0.00 C ATOM 583 CG PRO B 408 -13.238 -3.716 19.741 1.00 0.00 C ATOM 584 CD PRO B 408 -11.788 -3.523 20.090 1.00 0.00 C ATOM 0 HA PRO B 408 -12.101 -5.821 17.959 1.00 0.00 H new ATOM 0 HB2 PRO B 408 -13.328 -3.051 17.708 1.00 0.00 H new ATOM 0 HB3 PRO B 408 -14.150 -4.571 18.003 1.00 0.00 H new ATOM 0 HG2 PRO B 408 -13.821 -2.830 19.993 1.00 0.00 H new ATOM 0 HG3 PRO B 408 -13.666 -4.549 20.299 1.00 0.00 H new ATOM 0 HD2 PRO B 408 -11.503 -2.472 20.056 1.00 0.00 H new ATOM 0 HD3 PRO B 408 -11.565 -3.881 21.095 1.00 0.00 H new ATOM 592 N ALA B 409 -11.134 -5.381 15.804 1.00 0.00 N ATOM 593 CA ALA B 409 -10.612 -5.162 14.461 1.00 0.00 C ATOM 594 C ALA B 409 -10.829 -6.389 13.581 1.00 0.00 C ATOM 595 O ALA B 409 -10.450 -7.501 13.945 1.00 0.00 O ATOM 596 CB ALA B 409 -9.135 -4.806 14.520 1.00 0.00 C ATOM 0 H ALA B 409 -11.234 -6.363 16.062 1.00 0.00 H new ATOM 0 HA ALA B 409 -11.157 -4.329 14.017 1.00 0.00 H new ATOM 0 HB1 ALA B 409 -8.759 -4.645 13.510 1.00 0.00 H new ATOM 0 HB2 ALA B 409 -9.003 -3.896 15.105 1.00 0.00 H new ATOM 0 HB3 ALA B 409 -8.583 -5.621 14.987 1.00 0.00 H new ATOM 602 N HIS B 410 -11.440 -6.177 12.419 1.00 0.00 N ATOM 603 CA HIS B 410 -11.707 -7.267 11.487 1.00 0.00 C ATOM 604 C HIS B 410 -10.406 -7.901 11.004 1.00 0.00 C ATOM 605 O HIS B 410 -9.317 -7.464 11.376 1.00 0.00 O ATOM 606 CB HIS B 410 -12.512 -6.756 10.291 1.00 0.00 C ATOM 607 CG HIS B 410 -13.979 -6.637 10.565 1.00 0.00 C ATOM 608 ND1 HIS B 410 -14.944 -6.815 9.595 1.00 0.00 N ATOM 609 CD2 HIS B 410 -14.647 -6.355 11.710 1.00 0.00 C ATOM 610 CE1 HIS B 410 -16.140 -6.648 10.130 1.00 0.00 C ATOM 611 NE2 HIS B 410 -15.987 -6.369 11.411 1.00 0.00 N ATOM 0 H HIS B 410 -11.759 -5.262 12.101 1.00 0.00 H new ATOM 0 HA HIS B 410 -12.288 -8.026 12.011 1.00 0.00 H new ATOM 0 HB2 HIS B 410 -12.126 -5.781 9.993 1.00 0.00 H new ATOM 0 HB3 HIS B 410 -12.362 -7.430 9.447 1.00 0.00 H new ATOM 0 HD2 HIS B 410 -14.208 -6.156 12.676 1.00 0.00 H new ATOM 0 HE1 HIS B 410 -17.082 -6.726 9.608 1.00 0.00 H new ATOM 0 HE2 HIS B 410 -16.743 -6.192 12.073 1.00 0.00 H new ATOM 620 N HIS B 411 -10.528 -8.933 10.176 1.00 0.00 N ATOM 621 CA HIS B 411 -9.363 -9.628 9.643 1.00 0.00 C ATOM 622 C HIS B 411 -8.625 -8.755 8.632 1.00 0.00 C ATOM 623 O HIS B 411 -9.047 -8.629 7.483 1.00 0.00 O ATOM 624 CB HIS B 411 -9.783 -10.944 8.988 1.00 0.00 C ATOM 625 CG HIS B 411 -9.968 -12.066 9.963 1.00 0.00 C ATOM 626 ND1 HIS B 411 -9.022 -12.406 10.908 1.00 0.00 N ATOM 627 CD2 HIS B 411 -10.998 -12.926 10.139 1.00 0.00 C ATOM 628 CE1 HIS B 411 -9.462 -13.427 11.620 1.00 0.00 C ATOM 629 NE2 HIS B 411 -10.659 -13.761 11.174 1.00 0.00 N ATOM 0 H HIS B 411 -11.423 -9.307 9.860 1.00 0.00 H new ATOM 0 HA HIS B 411 -8.688 -9.843 10.472 1.00 0.00 H new ATOM 0 HB2 HIS B 411 -10.715 -10.789 8.444 1.00 0.00 H new ATOM 0 HB3 HIS B 411 -9.030 -11.232 8.254 1.00 0.00 H new ATOM 0 HD2 HIS B 411 -11.916 -12.951 9.571 1.00 0.00 H new ATOM 0 HE1 HIS B 411 -8.933 -13.907 12.430 1.00 0.00 H new ATOM 0 HE2 HIS B 411 -11.238 -14.517 11.539 1.00 0.00 H new ATOM 638 N ASN B 412 -7.521 -8.157 9.068 1.00 0.00 N ATOM 639 CA ASN B 412 -6.725 -7.296 8.201 1.00 0.00 C ATOM 640 C ASN B 412 -5.235 -7.482 8.471 1.00 0.00 C ATOM 641 O ASN B 412 -4.815 -7.614 9.620 1.00 0.00 O ATOM 642 CB ASN B 412 -7.115 -5.831 8.404 1.00 0.00 C ATOM 643 CG ASN B 412 -8.343 -5.444 7.604 1.00 0.00 C ATOM 644 OD1 ASN B 412 -8.435 -5.727 6.410 1.00 0.00 O ATOM 645 ND2 ASN B 412 -9.295 -4.792 8.262 1.00 0.00 N ATOM 0 H ASN B 412 -7.157 -8.253 10.016 1.00 0.00 H new ATOM 0 HA ASN B 412 -6.926 -7.577 7.167 1.00 0.00 H new ATOM 0 HB2 ASN B 412 -7.303 -5.651 9.463 1.00 0.00 H new ATOM 0 HB3 ASN B 412 -6.280 -5.192 8.115 1.00 0.00 H new ATOM 0 HD21 ASN B 412 -10.145 -4.505 7.777 1.00 0.00 H new ATOM 0 HD22 ASN B 412 -9.176 -4.578 9.252 1.00 0.00 H new ATOM 652 N MET B 413 -4.442 -7.489 7.404 1.00 0.00 N ATOM 653 CA MET B 413 -2.999 -7.657 7.526 1.00 0.00 C ATOM 654 C MET B 413 -2.291 -7.236 6.243 1.00 0.00 C ATOM 655 O MET B 413 -2.774 -7.499 5.141 1.00 0.00 O ATOM 656 CB MET B 413 -2.660 -9.113 7.854 1.00 0.00 C ATOM 657 CG MET B 413 -1.264 -9.299 8.428 1.00 0.00 C ATOM 658 SD MET B 413 -1.236 -9.212 10.228 1.00 0.00 S ATOM 659 CE MET B 413 -0.454 -10.773 10.630 1.00 0.00 C ATOM 0 H MET B 413 -4.775 -7.380 6.446 1.00 0.00 H new ATOM 0 HA MET B 413 -2.652 -7.018 8.338 1.00 0.00 H new ATOM 0 HB2 MET B 413 -3.391 -9.496 8.567 1.00 0.00 H new ATOM 0 HB3 MET B 413 -2.754 -9.712 6.948 1.00 0.00 H new ATOM 0 HG2 MET B 413 -0.870 -10.264 8.109 1.00 0.00 H new ATOM 0 HG3 MET B 413 -0.603 -8.534 8.021 1.00 0.00 H new ATOM 0 HE1 MET B 413 -0.365 -10.867 11.712 1.00 0.00 H new ATOM 0 HE2 MET B 413 -1.058 -11.593 10.243 1.00 0.00 H new ATOM 0 HE3 MET B 413 0.538 -10.809 10.180 1.00 0.00 H new ATOM 669 N PHE B 414 -1.146 -6.579 6.394 1.00 0.00 N ATOM 670 CA PHE B 414 -0.371 -6.120 5.246 1.00 0.00 C ATOM 671 C PHE B 414 0.875 -6.979 5.052 1.00 0.00 C ATOM 672 O PHE B 414 1.344 -7.163 3.928 1.00 0.00 O ATOM 673 CB PHE B 414 0.032 -4.655 5.427 1.00 0.00 C ATOM 674 CG PHE B 414 -0.931 -3.679 4.809 1.00 0.00 C ATOM 675 CD1 PHE B 414 -1.205 -3.716 3.450 1.00 0.00 C ATOM 676 CD2 PHE B 414 -1.562 -2.723 5.590 1.00 0.00 C ATOM 677 CE1 PHE B 414 -2.085 -2.817 2.883 1.00 0.00 C ATOM 678 CE2 PHE B 414 -2.444 -1.822 5.027 1.00 0.00 C ATOM 679 CZ PHE B 414 -2.706 -1.868 3.672 1.00 0.00 C ATOM 0 H PHE B 414 -0.734 -6.352 7.299 1.00 0.00 H new ATOM 0 HA PHE B 414 -0.997 -6.211 4.359 1.00 0.00 H new ATOM 0 HB2 PHE B 414 0.118 -4.441 6.492 1.00 0.00 H new ATOM 0 HB3 PHE B 414 1.019 -4.503 4.990 1.00 0.00 H new ATOM 0 HD1 PHE B 414 -0.724 -4.457 2.828 1.00 0.00 H new ATOM 0 HD2 PHE B 414 -1.361 -2.683 6.650 1.00 0.00 H new ATOM 0 HE1 PHE B 414 -2.288 -2.855 1.823 1.00 0.00 H new ATOM 0 HE2 PHE B 414 -2.929 -1.082 5.646 1.00 0.00 H new ATOM 0 HZ PHE B 414 -3.395 -1.164 3.230 1.00 0.00 H new ATOM 689 N SER B 415 1.413 -7.497 6.153 1.00 0.00 N ATOM 690 CA SER B 415 2.610 -8.330 6.098 1.00 0.00 C ATOM 691 C SER B 415 3.771 -7.552 5.484 1.00 0.00 C ATOM 692 O SER B 415 3.744 -6.322 5.436 1.00 0.00 O ATOM 693 CB SER B 415 2.335 -9.599 5.287 1.00 0.00 C ATOM 694 OG SER B 415 3.444 -10.479 5.324 1.00 0.00 O ATOM 0 H SER B 415 1.040 -7.355 7.092 1.00 0.00 H new ATOM 0 HA SER B 415 2.882 -8.616 7.114 1.00 0.00 H new ATOM 0 HB2 SER B 415 1.454 -10.103 5.683 1.00 0.00 H new ATOM 0 HB3 SER B 415 2.113 -9.333 4.254 1.00 0.00 H new ATOM 0 HG SER B 415 3.914 -10.377 6.178 1.00 0.00 H new ATOM 700 N VAL B 416 4.788 -8.266 5.005 1.00 0.00 N ATOM 701 CA VAL B 416 5.942 -7.618 4.393 1.00 0.00 C ATOM 702 C VAL B 416 6.364 -8.308 3.092 1.00 0.00 C ATOM 703 O VAL B 416 7.537 -8.637 2.907 1.00 0.00 O ATOM 704 CB VAL B 416 7.147 -7.558 5.355 1.00 0.00 C ATOM 705 CG1 VAL B 416 7.110 -6.274 6.171 1.00 0.00 C ATOM 706 CG2 VAL B 416 7.176 -8.779 6.265 1.00 0.00 C ATOM 0 H VAL B 416 4.835 -9.285 5.029 1.00 0.00 H new ATOM 0 HA VAL B 416 5.627 -6.600 4.162 1.00 0.00 H new ATOM 0 HB VAL B 416 8.061 -7.562 4.762 1.00 0.00 H new ATOM 0 HG11 VAL B 416 7.966 -6.246 6.845 1.00 0.00 H new ATOM 0 HG12 VAL B 416 7.148 -5.416 5.500 1.00 0.00 H new ATOM 0 HG13 VAL B 416 6.189 -6.239 6.753 1.00 0.00 H new ATOM 0 HG21 VAL B 416 8.034 -8.714 6.934 1.00 0.00 H new ATOM 0 HG22 VAL B 416 6.259 -8.816 6.853 1.00 0.00 H new ATOM 0 HG23 VAL B 416 7.255 -9.682 5.660 1.00 0.00 H new ATOM 716 N PRO B 417 5.417 -8.512 2.154 1.00 0.00 N ATOM 717 CA PRO B 417 5.707 -9.134 0.857 1.00 0.00 C ATOM 718 C PRO B 417 6.738 -8.323 0.080 1.00 0.00 C ATOM 719 O PRO B 417 6.843 -7.113 0.271 1.00 0.00 O ATOM 720 CB PRO B 417 4.361 -9.122 0.124 1.00 0.00 C ATOM 721 CG PRO B 417 3.336 -8.935 1.187 1.00 0.00 C ATOM 722 CD PRO B 417 3.998 -8.128 2.267 1.00 0.00 C ATOM 0 HA PRO B 417 6.122 -10.136 0.965 1.00 0.00 H new ATOM 0 HB2 PRO B 417 4.319 -8.316 -0.609 1.00 0.00 H new ATOM 0 HB3 PRO B 417 4.200 -10.054 -0.418 1.00 0.00 H new ATOM 0 HG2 PRO B 417 2.459 -8.418 0.796 1.00 0.00 H new ATOM 0 HG3 PRO B 417 2.994 -9.896 1.572 1.00 0.00 H new ATOM 0 HD2 PRO B 417 3.857 -7.058 2.114 1.00 0.00 H new ATOM 0 HD3 PRO B 417 3.594 -8.365 3.251 1.00 0.00 H new ATOM 730 N PRO B 418 7.523 -8.963 -0.803 1.00 0.00 N ATOM 731 CA PRO B 418 8.538 -8.246 -1.576 1.00 0.00 C ATOM 732 C PRO B 418 7.895 -7.118 -2.376 1.00 0.00 C ATOM 733 O PRO B 418 6.792 -7.275 -2.900 1.00 0.00 O ATOM 734 CB PRO B 418 9.104 -9.319 -2.512 1.00 0.00 C ATOM 735 CG PRO B 418 8.785 -10.617 -1.850 1.00 0.00 C ATOM 736 CD PRO B 418 7.495 -10.401 -1.109 1.00 0.00 C ATOM 0 HA PRO B 418 9.303 -7.784 -0.953 1.00 0.00 H new ATOM 0 HB2 PRO B 418 8.650 -9.259 -3.501 1.00 0.00 H new ATOM 0 HB3 PRO B 418 10.179 -9.198 -2.646 1.00 0.00 H new ATOM 0 HG2 PRO B 418 8.683 -11.415 -2.586 1.00 0.00 H new ATOM 0 HG3 PRO B 418 9.582 -10.913 -1.167 1.00 0.00 H new ATOM 0 HD2 PRO B 418 6.631 -10.667 -1.718 1.00 0.00 H new ATOM 0 HD3 PRO B 418 7.444 -11.005 -0.203 1.00 0.00 H new ATOM 744 N PRO B 419 8.546 -5.943 -2.443 1.00 0.00 N ATOM 745 CA PRO B 419 7.983 -4.784 -3.140 1.00 0.00 C ATOM 746 C PRO B 419 7.954 -4.930 -4.663 1.00 0.00 C ATOM 747 O PRO B 419 8.919 -5.386 -5.275 1.00 0.00 O ATOM 748 CB PRO B 419 8.915 -3.629 -2.740 1.00 0.00 C ATOM 749 CG PRO B 419 9.775 -4.151 -1.636 1.00 0.00 C ATOM 750 CD PRO B 419 9.838 -5.636 -1.814 1.00 0.00 C ATOM 0 HA PRO B 419 6.939 -4.639 -2.862 1.00 0.00 H new ATOM 0 HB2 PRO B 419 9.521 -3.307 -3.587 1.00 0.00 H new ATOM 0 HB3 PRO B 419 8.342 -2.762 -2.410 1.00 0.00 H new ATOM 0 HG2 PRO B 419 10.772 -3.712 -1.680 1.00 0.00 H new ATOM 0 HG3 PRO B 419 9.356 -3.894 -0.663 1.00 0.00 H new ATOM 0 HD2 PRO B 419 10.676 -5.933 -2.445 1.00 0.00 H new ATOM 0 HD3 PRO B 419 9.957 -6.153 -0.862 1.00 0.00 H new ATOM 758 N PRO B 420 6.833 -4.518 -5.293 1.00 0.00 N ATOM 759 CA PRO B 420 6.666 -4.578 -6.745 1.00 0.00 C ATOM 760 C PRO B 420 7.418 -3.469 -7.490 1.00 0.00 C ATOM 761 O PRO B 420 8.338 -3.747 -8.260 1.00 0.00 O ATOM 762 CB PRO B 420 5.158 -4.435 -6.941 1.00 0.00 C ATOM 763 CG PRO B 420 4.669 -3.689 -5.746 1.00 0.00 C ATOM 764 CD PRO B 420 5.640 -3.965 -4.623 1.00 0.00 C ATOM 0 HA PRO B 420 7.078 -5.501 -7.152 1.00 0.00 H new ATOM 0 HB2 PRO B 420 4.931 -3.895 -7.860 1.00 0.00 H new ATOM 0 HB3 PRO B 420 4.678 -5.411 -7.018 1.00 0.00 H new ATOM 0 HG2 PRO B 420 4.615 -2.621 -5.954 1.00 0.00 H new ATOM 0 HG3 PRO B 420 3.664 -4.012 -5.475 1.00 0.00 H new ATOM 0 HD2 PRO B 420 5.880 -3.055 -4.073 1.00 0.00 H new ATOM 0 HD3 PRO B 420 5.225 -4.672 -3.904 1.00 0.00 H new ATOM 772 N ILE B 421 7.009 -2.213 -7.279 1.00 0.00 N ATOM 773 CA ILE B 421 7.638 -1.080 -7.959 1.00 0.00 C ATOM 774 C ILE B 421 8.760 -0.456 -7.126 1.00 0.00 C ATOM 775 O ILE B 421 9.263 -1.072 -6.185 1.00 0.00 O ATOM 776 CB ILE B 421 6.590 0.000 -8.375 1.00 0.00 C ATOM 777 CG1 ILE B 421 6.342 1.035 -7.251 1.00 0.00 C ATOM 778 CG2 ILE B 421 5.290 -0.670 -8.806 1.00 0.00 C ATOM 779 CD1 ILE B 421 4.879 1.250 -6.887 1.00 0.00 C ATOM 0 H ILE B 421 6.250 -1.958 -6.647 1.00 0.00 H new ATOM 0 HA ILE B 421 8.088 -1.478 -8.868 1.00 0.00 H new ATOM 0 HB ILE B 421 6.998 0.552 -9.222 1.00 0.00 H new ATOM 0 HG12 ILE B 421 6.880 0.716 -6.358 1.00 0.00 H new ATOM 0 HG13 ILE B 421 6.769 1.990 -7.556 1.00 0.00 H new ATOM 0 HG21 ILE B 421 4.566 0.092 -9.094 1.00 0.00 H new ATOM 0 HG22 ILE B 421 5.483 -1.326 -9.655 1.00 0.00 H new ATOM 0 HG23 ILE B 421 4.890 -1.255 -7.978 1.00 0.00 H new ATOM 0 HD11 ILE B 421 4.807 1.992 -6.091 1.00 0.00 H new ATOM 0 HD12 ILE B 421 4.334 1.603 -7.763 1.00 0.00 H new ATOM 0 HD13 ILE B 421 4.447 0.309 -6.546 1.00 0.00 H new ATOM 791 N LEU B 422 9.153 0.765 -7.481 1.00 0.00 N ATOM 792 CA LEU B 422 10.217 1.463 -6.767 1.00 0.00 C ATOM 793 C LEU B 422 10.405 2.870 -7.325 1.00 0.00 C ATOM 794 O LEU B 422 11.525 3.373 -7.409 1.00 0.00 O ATOM 795 CB LEU B 422 11.526 0.673 -6.864 1.00 0.00 C ATOM 796 CG LEU B 422 11.921 -0.083 -5.594 1.00 0.00 C ATOM 797 CD1 LEU B 422 12.613 -1.390 -5.944 1.00 0.00 C ATOM 798 CD2 LEU B 422 12.817 0.780 -4.719 1.00 0.00 C ATOM 0 H LEU B 422 8.751 1.290 -8.258 1.00 0.00 H new ATOM 0 HA LEU B 422 9.933 1.545 -5.718 1.00 0.00 H new ATOM 0 HB2 LEU B 422 11.442 -0.042 -7.683 1.00 0.00 H new ATOM 0 HB3 LEU B 422 12.330 1.362 -7.124 1.00 0.00 H new ATOM 0 HG LEU B 422 11.015 -0.315 -5.035 1.00 0.00 H new ATOM 0 HD11 LEU B 422 12.886 -1.914 -5.028 1.00 0.00 H new ATOM 0 HD12 LEU B 422 11.938 -2.013 -6.531 1.00 0.00 H new ATOM 0 HD13 LEU B 422 13.512 -1.182 -6.525 1.00 0.00 H new ATOM 0 HD21 LEU B 422 13.089 0.227 -3.820 1.00 0.00 H new ATOM 0 HD22 LEU B 422 13.720 1.043 -5.270 1.00 0.00 H new ATOM 0 HD23 LEU B 422 12.285 1.689 -4.439 1.00 0.00 H new ATOM 810 N GLY B 423 9.298 3.498 -7.709 1.00 0.00 N ATOM 811 CA GLY B 423 9.360 4.840 -8.256 1.00 0.00 C ATOM 812 C GLY B 423 9.207 5.909 -7.192 1.00 0.00 C ATOM 813 O GLY B 423 8.407 6.831 -7.340 1.00 0.00 O ATOM 0 H GLY B 423 8.360 3.101 -7.651 1.00 0.00 H new ATOM 0 HA2 GLY B 423 10.312 4.976 -8.769 1.00 0.00 H new ATOM 0 HA3 GLY B 423 8.576 4.961 -9.003 1.00 0.00 H new ATOM 817 N ARG B 424 9.979 5.785 -6.117 1.00 0.00 N ATOM 818 CA ARG B 424 9.926 6.747 -5.024 1.00 0.00 C ATOM 819 C ARG B 424 10.860 7.925 -5.290 1.00 0.00 C ATOM 820 O ARG B 424 11.521 7.982 -6.327 1.00 0.00 O ATOM 821 CB ARG B 424 10.302 6.073 -3.703 1.00 0.00 C ATOM 822 CG ARG B 424 11.600 5.284 -3.771 1.00 0.00 C ATOM 823 CD ARG B 424 11.341 3.805 -4.005 1.00 0.00 C ATOM 824 NE ARG B 424 11.239 3.061 -2.752 1.00 0.00 N ATOM 825 CZ ARG B 424 12.279 2.776 -1.972 1.00 0.00 C ATOM 826 NH1 ARG B 424 13.500 3.171 -2.312 1.00 0.00 N ATOM 827 NH2 ARG B 424 12.099 2.096 -0.849 1.00 0.00 N ATOM 0 H ARG B 424 10.648 5.028 -5.980 1.00 0.00 H new ATOM 0 HA ARG B 424 8.905 7.123 -4.954 1.00 0.00 H new ATOM 0 HB2 ARG B 424 10.389 6.834 -2.928 1.00 0.00 H new ATOM 0 HB3 ARG B 424 9.495 5.404 -3.403 1.00 0.00 H new ATOM 0 HG2 ARG B 424 12.224 5.677 -4.574 1.00 0.00 H new ATOM 0 HG3 ARG B 424 12.156 5.415 -2.842 1.00 0.00 H new ATOM 0 HD2 ARG B 424 10.419 3.684 -4.574 1.00 0.00 H new ATOM 0 HD3 ARG B 424 12.146 3.387 -4.610 1.00 0.00 H new ATOM 0 HE ARG B 424 10.316 2.741 -2.458 1.00 0.00 H new ATOM 0 HH11 ARG B 424 13.645 3.696 -3.175 1.00 0.00 H new ATOM 0 HH12 ARG B 424 14.294 2.950 -1.710 1.00 0.00 H new ATOM 0 HH21 ARG B 424 11.163 1.791 -0.582 1.00 0.00 H new ATOM 0 HH22 ARG B 424 12.896 1.878 -0.252 1.00 0.00 H new ATOM 841 N GLY B 425 10.907 8.861 -4.348 1.00 0.00 N ATOM 842 CA GLY B 425 11.762 10.023 -4.500 1.00 0.00 C ATOM 843 C GLY B 425 12.045 10.712 -3.179 1.00 0.00 C ATOM 844 O GLY B 425 12.513 11.870 -3.202 1.00 0.00 O ATOM 845 OXT GLY B 425 11.797 10.094 -2.122 1.00 0.00 O ATOM 0 H GLY B 425 10.368 8.835 -3.482 1.00 0.00 H new ATOM 0 HA2 GLY B 425 12.704 9.720 -4.957 1.00 0.00 H new ATOM 0 HA3 GLY B 425 11.290 10.731 -5.182 1.00 0.00 H new TER 849 GLY B 425