USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 514 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 19 TYR OH : rot -118:sc= 0.83 USER MOD Set 1.2: A 35 ASN : amide:sc= 0.653 K(o=1.5,f=-0.2!) USER MOD Set 2.1: A 23 GLN : amide:sc= -0.176 X(o=-0.18,f=-0.19) USER MOD Set 2.2: A 27 TYR OH : rot 30:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 24 ASN : amide:sc= -0.112 K(o=-0.11,f=-1.2) USER MOD Single : A 28 SER OG : rot 180:sc= 0.52 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS : no HD1:sc= -0.209 K(o=-0.21,f=-0.9) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0.851 K(o=0.85,f=-0.65) USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.16 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.0294 X(o=-0.029,f=-0.12) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 148:sc= 0.82 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 11 1.055 -0.384 -1.045 1.00 0.00 N ATOM 2 CA GLY A 11 1.681 0.033 0.204 1.00 0.00 C ATOM 3 C GLY A 11 2.200 1.461 0.110 1.00 0.00 C ATOM 4 O GLY A 11 3.319 1.754 0.530 1.00 0.00 O ATOM 0 HA2 GLY A 11 0.960 -0.042 1.018 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.504 -0.641 0.444 1.00 0.00 H new ATOM 8 N ALA A 12 1.381 2.349 -0.445 1.00 0.00 N ATOM 9 CA ALA A 12 1.763 3.745 -0.609 1.00 0.00 C ATOM 10 C ALA A 12 1.950 4.428 0.739 1.00 0.00 C ATOM 11 O ALA A 12 2.895 5.191 0.934 1.00 0.00 O ATOM 12 CB ALA A 12 0.725 4.484 -1.442 1.00 0.00 C ATOM 0 H ALA A 12 0.447 2.125 -0.789 1.00 0.00 H new ATOM 0 HA ALA A 12 2.718 3.773 -1.133 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.024 5.526 -1.556 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.649 4.019 -2.425 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.243 4.437 -0.943 1.00 0.00 H new ATOM 18 N PRO A 13 1.042 4.148 1.669 1.00 0.00 N ATOM 19 CA PRO A 13 1.126 4.705 3.014 1.00 0.00 C ATOM 20 C PRO A 13 2.462 4.373 3.665 1.00 0.00 C ATOM 21 O PRO A 13 3.062 5.211 4.337 1.00 0.00 O ATOM 22 CB PRO A 13 -0.051 4.067 3.757 1.00 0.00 C ATOM 23 CG PRO A 13 -1.033 3.737 2.685 1.00 0.00 C ATOM 24 CD PRO A 13 -0.203 3.298 1.507 1.00 0.00 C ATOM 0 HA PRO A 13 1.071 5.794 3.024 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.259 3.174 4.300 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.478 4.753 4.489 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -1.712 2.947 3.004 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -1.646 4.602 2.433 1.00 0.00 H new ATOM 0 HD2 PRO A 13 0.023 2.232 1.541 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -0.707 3.487 0.559 1.00 0.00 H new ATOM 32 N GLY A 14 2.925 3.143 3.461 1.00 0.00 N ATOM 33 CA GLY A 14 4.194 2.699 4.025 1.00 0.00 C ATOM 34 C GLY A 14 5.369 3.411 3.367 1.00 0.00 C ATOM 35 O GLY A 14 6.323 3.804 4.037 1.00 0.00 O ATOM 0 H GLY A 14 2.439 2.436 2.909 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.205 2.890 5.098 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.297 1.622 3.892 1.00 0.00 H new ATOM 39 N ILE A 15 5.293 3.575 2.050 1.00 0.00 N ATOM 40 CA ILE A 15 6.334 4.272 1.303 1.00 0.00 C ATOM 41 C ILE A 15 6.430 5.733 1.727 1.00 0.00 C ATOM 42 O ILE A 15 7.525 6.257 1.934 1.00 0.00 O ATOM 43 CB ILE A 15 6.083 4.202 -0.213 1.00 0.00 C ATOM 44 CG1 ILE A 15 6.254 2.766 -0.717 1.00 0.00 C ATOM 45 CG2 ILE A 15 7.023 5.144 -0.951 1.00 0.00 C ATOM 46 CD1 ILE A 15 5.746 2.548 -2.124 1.00 0.00 C ATOM 0 H ILE A 15 4.520 3.234 1.478 1.00 0.00 H new ATOM 0 HA ILE A 15 7.274 3.769 1.529 1.00 0.00 H new ATOM 0 HB ILE A 15 5.058 4.516 -0.410 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.310 2.500 -0.677 1.00 0.00 H new ATOM 0 HG13 ILE A 15 5.729 2.089 -0.042 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.832 5.082 -2.022 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.855 6.166 -0.611 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.056 4.859 -0.749 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.902 1.508 -2.410 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.682 2.781 -2.167 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.288 3.198 -2.811 1.00 0.00 H new ATOM 58 N ILE A 16 5.279 6.384 1.853 1.00 0.00 N ATOM 59 CA ILE A 16 5.236 7.805 2.177 1.00 0.00 C ATOM 60 C ILE A 16 5.677 8.056 3.613 1.00 0.00 C ATOM 61 O ILE A 16 6.451 8.975 3.884 1.00 0.00 O ATOM 62 CB ILE A 16 3.825 8.387 1.974 1.00 0.00 C ATOM 63 CG1 ILE A 16 3.461 8.400 0.488 1.00 0.00 C ATOM 64 CG2 ILE A 16 3.740 9.789 2.559 1.00 0.00 C ATOM 65 CD1 ILE A 16 2.005 8.703 0.218 1.00 0.00 C ATOM 0 H ILE A 16 4.363 5.950 1.736 1.00 0.00 H new ATOM 0 HA ILE A 16 5.926 8.304 1.497 1.00 0.00 H new ATOM 0 HB ILE A 16 3.109 7.753 2.497 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.077 9.142 -0.021 1.00 0.00 H new ATOM 0 HG13 ILE A 16 3.707 7.430 0.055 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.736 10.186 2.407 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.958 9.752 3.626 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.465 10.435 2.063 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.825 8.694 -0.857 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.381 7.948 0.696 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.757 9.686 0.620 1.00 0.00 H new ATOM 77 N LEU A 17 5.182 7.232 4.531 1.00 0.00 N ATOM 78 CA LEU A 17 5.553 7.340 5.938 1.00 0.00 C ATOM 79 C LEU A 17 7.057 7.178 6.125 1.00 0.00 C ATOM 80 O LEU A 17 7.708 8.016 6.748 1.00 0.00 O ATOM 81 CB LEU A 17 4.796 6.296 6.767 1.00 0.00 C ATOM 82 CG LEU A 17 5.113 6.300 8.268 1.00 0.00 C ATOM 83 CD1 LEU A 17 4.777 7.658 8.869 1.00 0.00 C ATOM 84 CD2 LEU A 17 4.326 5.195 8.957 1.00 0.00 C ATOM 0 H LEU A 17 4.522 6.481 4.326 1.00 0.00 H new ATOM 0 HA LEU A 17 5.277 8.336 6.286 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.726 6.459 6.637 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.019 5.307 6.367 1.00 0.00 H new ATOM 0 HG LEU A 17 6.177 6.116 8.415 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.005 7.651 9.935 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.368 8.430 8.376 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.717 7.867 8.727 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.552 5.198 10.023 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.259 5.363 8.811 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.603 4.231 8.531 1.00 0.00 H new ATOM 96 N ARG A 18 7.601 6.095 5.581 1.00 0.00 N ATOM 97 CA ARG A 18 9.043 5.873 5.596 1.00 0.00 C ATOM 98 C ARG A 18 9.787 7.046 4.970 1.00 0.00 C ATOM 99 O ARG A 18 10.790 7.515 5.510 1.00 0.00 O ATOM 100 CB ARG A 18 9.427 4.556 4.939 1.00 0.00 C ATOM 101 CG ARG A 18 10.919 4.264 4.914 1.00 0.00 C ATOM 102 CD ARG A 18 11.276 2.938 4.348 1.00 0.00 C ATOM 103 NE ARG A 18 12.704 2.696 4.233 1.00 0.00 N ATOM 104 CZ ARG A 18 13.252 1.554 3.775 1.00 0.00 C ATOM 105 NH1 ARG A 18 12.500 0.534 3.424 1.00 0.00 N ATOM 106 NH2 ARG A 18 14.570 1.475 3.711 1.00 0.00 N ATOM 0 H ARG A 18 7.066 5.357 5.124 1.00 0.00 H new ATOM 0 HA ARG A 18 9.346 5.804 6.641 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.922 3.745 5.463 1.00 0.00 H new ATOM 0 HB3 ARG A 18 9.054 4.555 3.915 1.00 0.00 H new ATOM 0 HG2 ARG A 18 11.419 5.040 4.334 1.00 0.00 H new ATOM 0 HG3 ARG A 18 11.306 4.327 5.931 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.838 2.160 4.974 1.00 0.00 H new ATOM 0 HD3 ARG A 18 10.824 2.845 3.361 1.00 0.00 H new ATOM 0 HE ARG A 18 13.336 3.444 4.519 1.00 0.00 H new ATOM 0 HH11 ARG A 18 11.485 0.600 3.496 1.00 0.00 H new ATOM 0 HH12 ARG A 18 12.932 -0.323 3.079 1.00 0.00 H new ATOM 0 HH21 ARG A 18 15.143 2.266 4.004 1.00 0.00 H new ATOM 0 HH22 ARG A 18 15.014 0.623 3.368 1.00 0.00 H new ATOM 120 N TYR A 19 9.291 7.515 3.831 1.00 0.00 N ATOM 121 CA TYR A 19 9.885 8.660 3.151 1.00 0.00 C ATOM 122 C TYR A 19 9.972 9.867 4.077 1.00 0.00 C ATOM 123 O TYR A 19 11.026 10.492 4.200 1.00 0.00 O ATOM 124 CB TYR A 19 9.079 9.016 1.900 1.00 0.00 C ATOM 125 CG TYR A 19 9.471 10.337 1.274 1.00 0.00 C ATOM 126 CD1 TYR A 19 10.607 10.442 0.485 1.00 0.00 C ATOM 127 CD2 TYR A 19 8.702 11.474 1.473 1.00 0.00 C ATOM 128 CE1 TYR A 19 10.970 11.645 -0.089 1.00 0.00 C ATOM 129 CE2 TYR A 19 9.056 12.683 0.904 1.00 0.00 C ATOM 130 CZ TYR A 19 10.190 12.763 0.123 1.00 0.00 C ATOM 131 OH TYR A 19 10.545 13.965 -0.447 1.00 0.00 O ATOM 0 H TYR A 19 8.478 7.120 3.358 1.00 0.00 H new ATOM 0 HA TYR A 19 10.897 8.384 2.855 1.00 0.00 H new ATOM 0 HB2 TYR A 19 9.204 8.224 1.162 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.020 9.047 2.158 1.00 0.00 H new ATOM 0 HD1 TYR A 19 11.218 9.568 0.316 1.00 0.00 H new ATOM 0 HD2 TYR A 19 7.812 11.414 2.082 1.00 0.00 H new ATOM 0 HE1 TYR A 19 11.858 11.710 -0.700 1.00 0.00 H new ATOM 0 HE2 TYR A 19 8.448 13.560 1.070 1.00 0.00 H new ATOM 0 HH TYR A 19 10.731 14.619 0.258 1.00 0.00 H new ATOM 141 N LEU A 20 8.859 10.188 4.728 1.00 0.00 N ATOM 142 CA LEU A 20 8.780 11.378 5.567 1.00 0.00 C ATOM 143 C LEU A 20 9.674 11.250 6.793 1.00 0.00 C ATOM 144 O LEU A 20 10.252 12.232 7.257 1.00 0.00 O ATOM 145 CB LEU A 20 7.328 11.631 5.990 1.00 0.00 C ATOM 146 CG LEU A 20 6.391 12.094 4.866 1.00 0.00 C ATOM 147 CD1 LEU A 20 4.952 12.125 5.365 1.00 0.00 C ATOM 148 CD2 LEU A 20 6.822 13.468 4.377 1.00 0.00 C ATOM 0 H LEU A 20 7.999 9.641 4.691 1.00 0.00 H new ATOM 0 HA LEU A 20 9.133 12.228 4.983 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.927 10.714 6.421 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.322 12.383 6.779 1.00 0.00 H new ATOM 0 HG LEU A 20 6.448 11.393 4.034 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.295 12.455 4.560 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.657 11.127 5.688 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.873 12.816 6.204 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.156 13.796 3.579 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.777 14.179 5.202 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.843 13.416 3.999 1.00 0.00 H new ATOM 160 N GLN A 21 9.786 10.032 7.312 1.00 0.00 N ATOM 161 CA GLN A 21 10.593 9.776 8.499 1.00 0.00 C ATOM 162 C GLN A 21 12.081 9.876 8.184 1.00 0.00 C ATOM 163 O GLN A 21 12.850 10.449 8.955 1.00 0.00 O ATOM 164 CB GLN A 21 10.279 8.392 9.074 1.00 0.00 C ATOM 165 CG GLN A 21 8.947 8.307 9.799 1.00 0.00 C ATOM 166 CD GLN A 21 8.635 6.900 10.273 1.00 0.00 C ATOM 167 OE1 GLN A 21 9.352 5.949 9.952 1.00 0.00 O ATOM 168 NE2 GLN A 21 7.558 6.760 11.039 1.00 0.00 N ATOM 0 H GLN A 21 9.327 9.206 6.929 1.00 0.00 H new ATOM 0 HA GLN A 21 10.343 10.536 9.239 1.00 0.00 H new ATOM 0 HB2 GLN A 21 10.286 7.664 8.263 1.00 0.00 H new ATOM 0 HB3 GLN A 21 11.074 8.108 9.764 1.00 0.00 H new ATOM 0 HG2 GLN A 21 8.959 8.982 10.655 1.00 0.00 H new ATOM 0 HG3 GLN A 21 8.153 8.648 9.135 1.00 0.00 H new ATOM 0 HE21 GLN A 21 6.994 7.575 11.280 1.00 0.00 H new ATOM 0 HE22 GLN A 21 7.296 5.838 11.386 1.00 0.00 H new ATOM 177 N GLU A 22 12.479 9.316 7.048 1.00 0.00 N ATOM 178 CA GLU A 22 13.883 9.298 6.653 1.00 0.00 C ATOM 179 C GLU A 22 14.366 10.693 6.279 1.00 0.00 C ATOM 180 O GLU A 22 15.520 11.047 6.526 1.00 0.00 O ATOM 181 CB GLU A 22 14.097 8.336 5.482 1.00 0.00 C ATOM 182 CG GLU A 22 14.040 6.862 5.860 1.00 0.00 C ATOM 183 CD GLU A 22 14.278 5.982 4.666 1.00 0.00 C ATOM 184 OE1 GLU A 22 14.313 6.493 3.572 1.00 0.00 O ATOM 185 OE2 GLU A 22 14.538 4.817 4.855 1.00 0.00 O ATOM 0 H GLU A 22 11.849 8.868 6.383 1.00 0.00 H new ATOM 0 HA GLU A 22 14.466 8.952 7.506 1.00 0.00 H new ATOM 0 HB2 GLU A 22 13.340 8.533 4.723 1.00 0.00 H new ATOM 0 HB3 GLU A 22 15.066 8.545 5.028 1.00 0.00 H new ATOM 0 HG2 GLU A 22 14.788 6.651 6.624 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.067 6.633 6.295 1.00 0.00 H new ATOM 192 N GLN A 23 13.479 11.482 5.682 1.00 0.00 N ATOM 193 CA GLN A 23 13.808 12.849 5.296 1.00 0.00 C ATOM 194 C GLN A 23 13.694 13.799 6.482 1.00 0.00 C ATOM 195 O GLN A 23 14.463 14.753 6.601 1.00 0.00 O ATOM 196 CB GLN A 23 12.890 13.322 4.166 1.00 0.00 C ATOM 197 CG GLN A 23 13.054 12.552 2.866 1.00 0.00 C ATOM 198 CD GLN A 23 14.477 12.603 2.341 1.00 0.00 C ATOM 199 OE1 GLN A 23 15.083 13.674 2.252 1.00 0.00 O ATOM 200 NE2 GLN A 23 15.016 11.443 1.985 1.00 0.00 N ATOM 0 H GLN A 23 12.526 11.198 5.455 1.00 0.00 H new ATOM 0 HA GLN A 23 14.840 12.855 4.946 1.00 0.00 H new ATOM 0 HB2 GLN A 23 11.854 13.239 4.496 1.00 0.00 H new ATOM 0 HB3 GLN A 23 13.081 14.378 3.976 1.00 0.00 H new ATOM 0 HG2 GLN A 23 12.764 11.513 3.023 1.00 0.00 H new ATOM 0 HG3 GLN A 23 12.378 12.962 2.116 1.00 0.00 H new ATOM 0 HE21 GLN A 23 14.478 10.581 2.076 1.00 0.00 H new ATOM 0 HE22 GLN A 23 15.968 11.414 1.621 1.00 0.00 H new ATOM 209 N ASN A 24 12.730 13.532 7.357 1.00 0.00 N ATOM 210 CA ASN A 24 12.526 14.353 8.544 1.00 0.00 C ATOM 211 C ASN A 24 12.218 15.797 8.171 1.00 0.00 C ATOM 212 O ASN A 24 12.623 16.728 8.867 1.00 0.00 O ATOM 213 CB ASN A 24 13.727 14.296 9.471 1.00 0.00 C ATOM 214 CG ASN A 24 13.417 14.695 10.888 1.00 0.00 C ATOM 215 OD1 ASN A 24 12.292 14.526 11.370 1.00 0.00 O ATOM 216 ND2 ASN A 24 14.386 15.296 11.529 1.00 0.00 N ATOM 0 H ASN A 24 12.078 12.753 7.266 1.00 0.00 H new ATOM 0 HA ASN A 24 11.666 13.943 9.074 1.00 0.00 H new ATOM 0 HB2 ASN A 24 14.129 13.283 9.468 1.00 0.00 H new ATOM 0 HB3 ASN A 24 14.507 14.950 9.081 1.00 0.00 H new ATOM 0 HD21 ASN A 24 14.230 15.651 12.473 1.00 0.00 H new ATOM 0 HD22 ASN A 24 15.297 15.410 11.085 1.00 0.00 H new ATOM 223 N ARG A 25 11.499 15.977 7.068 1.00 0.00 N ATOM 224 CA ARG A 25 11.156 17.308 6.586 1.00 0.00 C ATOM 225 C ARG A 25 9.723 17.357 6.072 1.00 0.00 C ATOM 226 O ARG A 25 9.190 16.355 5.596 1.00 0.00 O ATOM 227 CB ARG A 25 12.140 17.810 5.539 1.00 0.00 C ATOM 228 CG ARG A 25 13.558 18.021 6.043 1.00 0.00 C ATOM 229 CD ARG A 25 13.714 19.171 6.972 1.00 0.00 C ATOM 230 NE ARG A 25 15.090 19.470 7.335 1.00 0.00 N ATOM 231 CZ ARG A 25 15.761 18.878 8.341 1.00 0.00 C ATOM 232 NH1 ARG A 25 15.180 17.983 9.109 1.00 0.00 N ATOM 233 NH2 ARG A 25 17.015 19.238 8.551 1.00 0.00 N ATOM 0 H ARG A 25 11.142 15.215 6.491 1.00 0.00 H new ATOM 0 HA ARG A 25 11.228 17.985 7.438 1.00 0.00 H new ATOM 0 HB2 ARG A 25 12.165 17.098 4.714 1.00 0.00 H new ATOM 0 HB3 ARG A 25 11.769 18.752 5.135 1.00 0.00 H new ATOM 0 HG2 ARG A 25 13.890 17.114 6.548 1.00 0.00 H new ATOM 0 HG3 ARG A 25 14.217 18.169 5.187 1.00 0.00 H new ATOM 0 HD2 ARG A 25 13.272 20.055 6.513 1.00 0.00 H new ATOM 0 HD3 ARG A 25 13.148 18.967 7.881 1.00 0.00 H new ATOM 0 HE ARG A 25 15.581 20.178 6.789 1.00 0.00 H new ATOM 0 HH11 ARG A 25 14.206 17.727 8.947 1.00 0.00 H new ATOM 0 HH12 ARG A 25 15.703 17.544 9.867 1.00 0.00 H new ATOM 0 HH21 ARG A 25 17.448 19.946 7.959 1.00 0.00 H new ATOM 0 HH22 ARG A 25 17.550 18.808 9.306 1.00 0.00 H new ATOM 247 N PRO A 26 9.103 18.528 6.172 1.00 0.00 N ATOM 248 CA PRO A 26 7.754 18.728 5.656 1.00 0.00 C ATOM 249 C PRO A 26 7.749 18.779 4.134 1.00 0.00 C ATOM 250 O PRO A 26 8.584 19.446 3.523 1.00 0.00 O ATOM 251 CB PRO A 26 7.307 20.053 6.279 1.00 0.00 C ATOM 252 CG PRO A 26 8.573 20.816 6.478 1.00 0.00 C ATOM 253 CD PRO A 26 9.613 19.782 6.817 1.00 0.00 C ATOM 0 HA PRO A 26 7.079 17.911 5.912 1.00 0.00 H new ATOM 0 HB2 PRO A 26 6.620 20.588 5.624 1.00 0.00 H new ATOM 0 HB3 PRO A 26 6.787 19.892 7.224 1.00 0.00 H new ATOM 0 HG2 PRO A 26 8.845 21.367 5.578 1.00 0.00 H new ATOM 0 HG3 PRO A 26 8.469 21.547 7.280 1.00 0.00 H new ATOM 0 HD2 PRO A 26 10.593 20.060 6.429 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.719 19.661 7.895 1.00 0.00 H new ATOM 261 N TYR A 27 6.804 18.071 3.526 1.00 0.00 N ATOM 262 CA TYR A 27 6.654 18.077 2.076 1.00 0.00 C ATOM 263 C TYR A 27 5.194 18.240 1.673 1.00 0.00 C ATOM 264 O TYR A 27 4.299 17.674 2.302 1.00 0.00 O ATOM 265 CB TYR A 27 7.225 16.792 1.473 1.00 0.00 C ATOM 266 CG TYR A 27 8.720 16.647 1.642 1.00 0.00 C ATOM 267 CD1 TYR A 27 9.599 17.260 0.762 1.00 0.00 C ATOM 268 CD2 TYR A 27 9.250 15.894 2.681 1.00 0.00 C ATOM 269 CE1 TYR A 27 10.965 17.131 0.910 1.00 0.00 C ATOM 270 CE2 TYR A 27 10.616 15.759 2.840 1.00 0.00 C ATOM 271 CZ TYR A 27 11.471 16.379 1.952 1.00 0.00 C ATOM 272 OH TYR A 27 12.832 16.246 2.104 1.00 0.00 O ATOM 0 H TYR A 27 6.129 17.484 4.016 1.00 0.00 H new ATOM 0 HA TYR A 27 7.212 18.929 1.687 1.00 0.00 H new ATOM 0 HB2 TYR A 27 6.733 15.936 1.934 1.00 0.00 H new ATOM 0 HB3 TYR A 27 6.985 16.763 0.410 1.00 0.00 H new ATOM 0 HD1 TYR A 27 9.207 17.849 -0.054 1.00 0.00 H new ATOM 0 HD2 TYR A 27 8.584 15.406 3.377 1.00 0.00 H new ATOM 0 HE1 TYR A 27 11.635 17.615 0.215 1.00 0.00 H new ATOM 0 HE2 TYR A 27 11.012 15.171 3.655 1.00 0.00 H new ATOM 0 HH TYR A 27 13.279 17.048 1.762 1.00 0.00 H new ATOM 282 N SER A 28 4.958 19.018 0.622 1.00 0.00 N ATOM 283 CA SER A 28 3.609 19.230 0.113 1.00 0.00 C ATOM 284 C SER A 28 3.065 17.972 -0.552 1.00 0.00 C ATOM 285 O SER A 28 3.815 17.040 -0.844 1.00 0.00 O ATOM 286 CB SER A 28 3.596 20.391 -0.864 1.00 0.00 C ATOM 287 OG SER A 28 4.180 20.052 -2.091 1.00 0.00 O ATOM 0 H SER A 28 5.685 19.513 0.106 1.00 0.00 H new ATOM 0 HA SER A 28 2.962 19.468 0.957 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.568 20.714 -1.029 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.130 21.236 -0.430 1.00 0.00 H new ATOM 0 HG SER A 28 4.151 20.825 -2.692 1.00 0.00 H new ATOM 293 N ALA A 29 1.758 17.951 -0.787 1.00 0.00 N ATOM 294 CA ALA A 29 1.131 16.865 -1.532 1.00 0.00 C ATOM 295 C ALA A 29 1.799 16.671 -2.888 1.00 0.00 C ATOM 296 O ALA A 29 1.916 15.547 -3.378 1.00 0.00 O ATOM 297 CB ALA A 29 -0.357 17.131 -1.703 1.00 0.00 C ATOM 0 H ALA A 29 1.111 18.674 -0.472 1.00 0.00 H new ATOM 0 HA ALA A 29 1.259 15.945 -0.961 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.811 16.312 -2.261 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.828 17.208 -0.723 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.500 18.064 -2.248 1.00 0.00 H new ATOM 303 N GLN A 30 2.236 17.771 -3.490 1.00 0.00 N ATOM 304 CA GLN A 30 2.910 17.722 -4.782 1.00 0.00 C ATOM 305 C GLN A 30 4.353 17.260 -4.633 1.00 0.00 C ATOM 306 O GLN A 30 4.874 16.538 -5.483 1.00 0.00 O ATOM 307 CB GLN A 30 2.874 19.095 -5.458 1.00 0.00 C ATOM 308 CG GLN A 30 1.490 19.532 -5.909 1.00 0.00 C ATOM 309 CD GLN A 30 1.496 20.910 -6.541 1.00 0.00 C ATOM 310 OE1 GLN A 30 2.526 21.590 -6.574 1.00 0.00 O ATOM 311 NE2 GLN A 30 0.343 21.335 -7.044 1.00 0.00 N ATOM 0 H GLN A 30 2.135 18.709 -3.103 1.00 0.00 H new ATOM 0 HA GLN A 30 2.379 17.002 -5.405 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.270 19.838 -4.766 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.537 19.079 -6.323 1.00 0.00 H new ATOM 0 HG2 GLN A 30 1.099 18.809 -6.625 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.815 19.531 -5.053 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.485 20.741 -6.996 1.00 0.00 H new ATOM 0 HE22 GLN A 30 0.285 22.256 -7.479 1.00 0.00 H new ATOM 320 N ASP A 31 4.994 17.679 -3.547 1.00 0.00 N ATOM 321 CA ASP A 31 6.358 17.257 -3.253 1.00 0.00 C ATOM 322 C ASP A 31 6.445 15.744 -3.096 1.00 0.00 C ATOM 323 O ASP A 31 7.312 15.098 -3.685 1.00 0.00 O ATOM 324 CB ASP A 31 6.872 17.947 -1.987 1.00 0.00 C ATOM 325 CG ASP A 31 7.129 19.440 -2.144 1.00 0.00 C ATOM 326 OD1 ASP A 31 7.231 19.891 -3.261 1.00 0.00 O ATOM 327 OD2 ASP A 31 7.067 20.139 -1.162 1.00 0.00 O ATOM 0 H ASP A 31 4.590 18.311 -2.856 1.00 0.00 H new ATOM 0 HA ASP A 31 6.985 17.549 -4.095 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.147 17.798 -1.187 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.797 17.463 -1.674 1.00 0.00 H new ATOM 332 N VAL A 32 5.542 15.185 -2.299 1.00 0.00 N ATOM 333 CA VAL A 32 5.566 13.758 -1.996 1.00 0.00 C ATOM 334 C VAL A 32 5.303 12.926 -3.246 1.00 0.00 C ATOM 335 O VAL A 32 6.035 11.981 -3.539 1.00 0.00 O ATOM 336 CB VAL A 32 4.528 13.391 -0.920 1.00 0.00 C ATOM 337 CG1 VAL A 32 4.432 11.880 -0.764 1.00 0.00 C ATOM 338 CG2 VAL A 32 4.886 14.040 0.409 1.00 0.00 C ATOM 0 H VAL A 32 4.783 15.698 -1.850 1.00 0.00 H new ATOM 0 HA VAL A 32 6.563 13.534 -1.616 1.00 0.00 H new ATOM 0 HB VAL A 32 3.556 13.768 -1.238 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.694 11.639 0.001 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.131 11.435 -1.712 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.403 11.482 -0.469 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.142 13.770 1.158 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.868 13.692 0.731 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.906 15.123 0.291 1.00 0.00 H new ATOM 348 N PHE A 33 4.253 13.283 -3.977 1.00 0.00 N ATOM 349 CA PHE A 33 3.922 12.603 -5.224 1.00 0.00 C ATOM 350 C PHE A 33 5.065 12.700 -6.226 1.00 0.00 C ATOM 351 O PHE A 33 5.499 11.694 -6.788 1.00 0.00 O ATOM 352 CB PHE A 33 2.642 13.185 -5.826 1.00 0.00 C ATOM 353 CG PHE A 33 2.395 12.765 -7.248 1.00 0.00 C ATOM 354 CD1 PHE A 33 2.019 11.463 -7.544 1.00 0.00 C ATOM 355 CD2 PHE A 33 2.540 13.668 -8.289 1.00 0.00 C ATOM 356 CE1 PHE A 33 1.792 11.074 -8.851 1.00 0.00 C ATOM 357 CE2 PHE A 33 2.313 13.283 -9.596 1.00 0.00 C ATOM 358 CZ PHE A 33 1.938 11.984 -9.877 1.00 0.00 C ATOM 0 H PHE A 33 3.616 14.040 -3.728 1.00 0.00 H new ATOM 0 HA PHE A 33 3.759 11.549 -4.997 1.00 0.00 H new ATOM 0 HB2 PHE A 33 1.793 12.880 -5.214 1.00 0.00 H new ATOM 0 HB3 PHE A 33 2.693 14.273 -5.782 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.902 10.746 -6.745 1.00 0.00 H new ATOM 0 HD2 PHE A 33 2.834 14.685 -8.076 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.500 10.057 -9.069 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.429 13.997 -10.398 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.759 11.681 -10.898 1.00 0.00 H new ATOM 368 N GLY A 34 5.550 13.918 -6.445 1.00 0.00 N ATOM 369 CA GLY A 34 6.543 14.172 -7.483 1.00 0.00 C ATOM 370 C GLY A 34 7.763 13.277 -7.307 1.00 0.00 C ATOM 371 O GLY A 34 8.263 12.697 -8.272 1.00 0.00 O ATOM 0 H GLY A 34 5.271 14.745 -5.917 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.100 13.999 -8.464 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.848 15.218 -7.450 1.00 0.00 H new ATOM 375 N ASN A 35 8.239 13.169 -6.072 1.00 0.00 N ATOM 376 CA ASN A 35 9.443 12.402 -5.779 1.00 0.00 C ATOM 377 C ASN A 35 9.173 10.904 -5.846 1.00 0.00 C ATOM 378 O ASN A 35 9.991 10.139 -6.355 1.00 0.00 O ATOM 379 CB ASN A 35 10.020 12.771 -4.424 1.00 0.00 C ATOM 380 CG ASN A 35 10.686 14.118 -4.396 1.00 0.00 C ATOM 381 OD1 ASN A 35 11.060 14.670 -5.438 1.00 0.00 O ATOM 382 ND2 ASN A 35 10.907 14.614 -3.206 1.00 0.00 N ATOM 0 H ASN A 35 7.808 13.604 -5.256 1.00 0.00 H new ATOM 0 HA ASN A 35 10.178 12.654 -6.543 1.00 0.00 H new ATOM 0 HB2 ASN A 35 9.221 12.755 -3.683 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.744 12.012 -4.129 1.00 0.00 H new ATOM 0 HD21 ASN A 35 11.409 15.496 -3.106 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.577 14.119 -2.378 1.00 0.00 H new ATOM 389 N LEU A 36 8.020 10.493 -5.330 1.00 0.00 N ATOM 390 CA LEU A 36 7.673 9.078 -5.262 1.00 0.00 C ATOM 391 C LEU A 36 7.047 8.601 -6.566 1.00 0.00 C ATOM 392 O LEU A 36 6.761 7.415 -6.732 1.00 0.00 O ATOM 393 CB LEU A 36 6.719 8.823 -4.087 1.00 0.00 C ATOM 394 CG LEU A 36 7.274 9.190 -2.704 1.00 0.00 C ATOM 395 CD1 LEU A 36 6.228 8.914 -1.633 1.00 0.00 C ATOM 396 CD2 LEU A 36 8.543 8.396 -2.438 1.00 0.00 C ATOM 0 H LEU A 36 7.309 11.120 -4.952 1.00 0.00 H new ATOM 0 HA LEU A 36 8.591 8.511 -5.104 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.802 9.388 -4.255 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.447 7.768 -4.083 1.00 0.00 H new ATOM 0 HG LEU A 36 7.515 10.253 -2.678 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.631 9.177 -0.655 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.338 9.511 -1.832 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.966 7.856 -1.645 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.936 8.657 -1.456 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.318 7.330 -2.467 1.00 0.00 H new ATOM 0 HD23 LEU A 36 9.286 8.631 -3.200 1.00 0.00 H new ATOM 408 N GLN A 37 6.835 9.532 -7.490 1.00 0.00 N ATOM 409 CA GLN A 37 6.362 9.191 -8.826 1.00 0.00 C ATOM 410 C GLN A 37 7.450 8.495 -9.635 1.00 0.00 C ATOM 411 O GLN A 37 7.168 7.595 -10.426 1.00 0.00 O ATOM 412 CB GLN A 37 5.894 10.448 -9.566 1.00 0.00 C ATOM 413 CG GLN A 37 5.353 10.184 -10.961 1.00 0.00 C ATOM 414 CD GLN A 37 4.968 11.461 -11.683 1.00 0.00 C ATOM 415 OE1 GLN A 37 5.158 12.564 -11.166 1.00 0.00 O ATOM 416 NE2 GLN A 37 4.417 11.317 -12.884 1.00 0.00 N ATOM 0 H GLN A 37 6.984 10.530 -7.338 1.00 0.00 H new ATOM 0 HA GLN A 37 5.522 8.506 -8.714 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.120 10.937 -8.975 1.00 0.00 H new ATOM 0 HB3 GLN A 37 6.728 11.146 -9.638 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.105 9.652 -11.545 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.482 9.532 -10.893 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.279 10.384 -13.273 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.133 12.139 -13.417 1.00 0.00 H new ATOM 425 N LYS A 38 8.693 8.917 -9.429 1.00 0.00 N ATOM 426 CA LYS A 38 9.816 8.388 -10.194 1.00 0.00 C ATOM 427 C LYS A 38 10.538 7.290 -9.424 1.00 0.00 C ATOM 428 O LYS A 38 11.030 6.326 -10.012 1.00 0.00 O ATOM 429 CB LYS A 38 10.794 9.508 -10.553 1.00 0.00 C ATOM 430 CG LYS A 38 10.232 10.552 -11.508 1.00 0.00 C ATOM 431 CD LYS A 38 11.270 11.613 -11.843 1.00 0.00 C ATOM 432 CE LYS A 38 10.693 12.684 -12.757 1.00 0.00 C ATOM 433 NZ LYS A 38 11.655 13.797 -12.985 1.00 0.00 N ATOM 0 H LYS A 38 8.948 9.624 -8.739 1.00 0.00 H new ATOM 0 HA LYS A 38 9.420 7.956 -11.113 1.00 0.00 H new ATOM 0 HB2 LYS A 38 11.110 10.005 -9.636 1.00 0.00 H new ATOM 0 HB3 LYS A 38 11.685 9.067 -11.000 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.897 10.066 -12.424 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.358 11.024 -11.060 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.632 12.073 -10.924 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.129 11.145 -12.325 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.422 12.237 -13.713 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.777 13.080 -12.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.224 14.505 -13.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.895 14.240 -12.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.519 13.424 -13.427 1.00 0.00 H new ATOM 447 N GLU A 39 10.598 7.441 -8.105 1.00 0.00 N ATOM 448 CA GLU A 39 11.354 6.521 -7.262 1.00 0.00 C ATOM 449 C GLU A 39 10.624 5.193 -7.102 1.00 0.00 C ATOM 450 O GLU A 39 11.235 4.127 -7.166 1.00 0.00 O ATOM 451 CB GLU A 39 11.618 7.145 -5.890 1.00 0.00 C ATOM 452 CG GLU A 39 12.626 8.286 -5.902 1.00 0.00 C ATOM 453 CD GLU A 39 12.783 8.890 -4.535 1.00 0.00 C ATOM 454 OE1 GLU A 39 12.095 8.467 -3.636 1.00 0.00 O ATOM 455 OE2 GLU A 39 13.667 9.695 -4.361 1.00 0.00 O ATOM 0 H GLU A 39 10.132 8.192 -7.596 1.00 0.00 H new ATOM 0 HA GLU A 39 12.308 6.328 -7.752 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.676 7.513 -5.484 1.00 0.00 H new ATOM 0 HB3 GLU A 39 11.975 6.368 -5.214 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.590 7.918 -6.252 1.00 0.00 H new ATOM 0 HG3 GLU A 39 12.302 9.053 -6.606 1.00 0.00 H new ATOM 462 N HIS A 40 9.314 5.266 -6.893 1.00 0.00 N ATOM 463 CA HIS A 40 8.519 4.082 -6.591 1.00 0.00 C ATOM 464 C HIS A 40 7.441 3.858 -7.643 1.00 0.00 C ATOM 465 O HIS A 40 7.144 2.722 -8.008 1.00 0.00 O ATOM 466 CB HIS A 40 7.881 4.199 -5.202 1.00 0.00 C ATOM 467 CG HIS A 40 8.871 4.170 -4.080 1.00 0.00 C ATOM 468 ND1 HIS A 40 9.462 5.311 -3.580 1.00 0.00 N ATOM 469 CD2 HIS A 40 9.375 3.139 -3.362 1.00 0.00 C ATOM 470 CE1 HIS A 40 10.286 4.983 -2.600 1.00 0.00 C ATOM 471 NE2 HIS A 40 10.251 3.671 -2.450 1.00 0.00 N ATOM 0 H HIS A 40 8.780 6.134 -6.927 1.00 0.00 H new ATOM 0 HA HIS A 40 9.190 3.223 -6.600 1.00 0.00 H new ATOM 0 HB2 HIS A 40 7.313 5.128 -5.150 1.00 0.00 H new ATOM 0 HB3 HIS A 40 7.170 3.383 -5.069 1.00 0.00 H new ATOM 0 HD2 HIS A 40 9.133 2.094 -3.484 1.00 0.00 H new ATOM 0 HE1 HIS A 40 10.885 5.670 -2.021 1.00 0.00 H new ATOM 0 HE2 HIS A 40 10.789 3.139 -1.766 1.00 0.00 H new ATOM 479 N GLY A 41 6.859 4.950 -8.126 1.00 0.00 N ATOM 480 CA GLY A 41 5.874 4.882 -9.200 1.00 0.00 C ATOM 481 C GLY A 41 4.456 4.995 -8.656 1.00 0.00 C ATOM 482 O GLY A 41 3.521 4.413 -9.206 1.00 0.00 O ATOM 0 H GLY A 41 7.052 5.894 -7.791 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.057 5.684 -9.916 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.985 3.942 -9.740 1.00 0.00 H new ATOM 486 N LEU A 42 4.302 5.747 -7.571 1.00 0.00 N ATOM 487 CA LEU A 42 2.997 5.940 -6.951 1.00 0.00 C ATOM 488 C LEU A 42 2.146 6.917 -7.753 1.00 0.00 C ATOM 489 O LEU A 42 2.655 7.901 -8.291 1.00 0.00 O ATOM 490 CB LEU A 42 3.162 6.435 -5.509 1.00 0.00 C ATOM 491 CG LEU A 42 3.860 5.455 -4.558 1.00 0.00 C ATOM 492 CD1 LEU A 42 3.986 6.072 -3.172 1.00 0.00 C ATOM 493 CD2 LEU A 42 3.070 4.156 -4.499 1.00 0.00 C ATOM 0 H LEU A 42 5.067 6.233 -7.103 1.00 0.00 H new ATOM 0 HA LEU A 42 2.483 4.979 -6.938 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.728 7.367 -5.524 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.176 6.667 -5.106 1.00 0.00 H new ATOM 0 HG LEU A 42 4.863 5.241 -4.928 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.483 5.368 -2.504 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.572 6.989 -3.234 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.993 6.301 -2.784 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.566 3.459 -3.823 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.063 4.359 -4.136 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.015 3.718 -5.496 1.00 0.00 H new ATOM 505 N GLY A 43 0.849 6.640 -7.829 1.00 0.00 N ATOM 506 CA GLY A 43 -0.064 7.459 -8.617 1.00 0.00 C ATOM 507 C GLY A 43 -0.561 8.656 -7.816 1.00 0.00 C ATOM 508 O GLY A 43 -0.288 8.771 -6.621 1.00 0.00 O ATOM 0 H GLY A 43 0.406 5.854 -7.354 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.441 7.806 -9.519 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.913 6.855 -8.939 1.00 0.00 H new ATOM 512 N LYS A 44 -1.288 9.546 -8.482 1.00 0.00 N ATOM 513 CA LYS A 44 -1.788 10.758 -7.843 1.00 0.00 C ATOM 514 C LYS A 44 -2.788 10.428 -6.742 1.00 0.00 C ATOM 515 O LYS A 44 -2.680 10.929 -5.622 1.00 0.00 O ATOM 516 CB LYS A 44 -2.433 11.682 -8.878 1.00 0.00 C ATOM 517 CG LYS A 44 -1.450 12.321 -9.850 1.00 0.00 C ATOM 518 CD LYS A 44 -2.165 13.203 -10.861 1.00 0.00 C ATOM 519 CE LYS A 44 -1.187 13.817 -11.851 1.00 0.00 C ATOM 520 NZ LYS A 44 -1.876 14.660 -12.865 1.00 0.00 N ATOM 0 H LYS A 44 -1.544 9.451 -9.465 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.939 11.270 -7.390 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.169 11.113 -9.446 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.974 12.471 -8.356 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.723 12.915 -9.297 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -0.894 11.542 -10.373 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.908 12.614 -11.399 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.703 13.995 -10.339 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.457 14.422 -11.312 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.634 13.024 -12.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.174 15.059 -13.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.554 14.078 -13.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.383 15.433 -12.388 1.00 0.00 H new ATOM 534 N ALA A 45 -3.761 9.582 -7.066 1.00 0.00 N ATOM 535 CA ALA A 45 -4.759 9.154 -6.094 1.00 0.00 C ATOM 536 C ALA A 45 -4.125 8.338 -4.975 1.00 0.00 C ATOM 537 O ALA A 45 -4.493 8.474 -3.808 1.00 0.00 O ATOM 538 CB ALA A 45 -5.858 8.356 -6.779 1.00 0.00 C ATOM 0 H ALA A 45 -3.879 9.179 -7.996 1.00 0.00 H new ATOM 0 HA ALA A 45 -5.199 10.046 -5.649 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.596 8.044 -6.040 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.341 8.976 -7.534 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.426 7.476 -7.255 1.00 0.00 H new ATOM 544 N ALA A 46 -3.169 7.489 -5.338 1.00 0.00 N ATOM 545 CA ALA A 46 -2.498 6.630 -4.370 1.00 0.00 C ATOM 546 C ALA A 46 -1.805 7.454 -3.291 1.00 0.00 C ATOM 547 O ALA A 46 -1.927 7.163 -2.101 1.00 0.00 O ATOM 548 CB ALA A 46 -1.500 5.720 -5.070 1.00 0.00 C ATOM 0 H ALA A 46 -2.841 7.378 -6.298 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.254 6.012 -3.886 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.008 5.085 -4.333 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.023 5.096 -5.795 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.754 6.326 -5.584 1.00 0.00 H new ATOM 554 N VAL A 47 -1.076 8.481 -3.714 1.00 0.00 N ATOM 555 CA VAL A 47 -0.314 9.311 -2.790 1.00 0.00 C ATOM 556 C VAL A 47 -1.236 10.156 -1.919 1.00 0.00 C ATOM 557 O VAL A 47 -1.091 10.193 -0.698 1.00 0.00 O ATOM 558 CB VAL A 47 0.662 10.239 -3.537 1.00 0.00 C ATOM 559 CG1 VAL A 47 1.266 11.258 -2.582 1.00 0.00 C ATOM 560 CG2 VAL A 47 1.758 9.428 -4.211 1.00 0.00 C ATOM 0 H VAL A 47 -0.997 8.758 -4.692 1.00 0.00 H new ATOM 0 HA VAL A 47 0.257 8.632 -2.157 1.00 0.00 H new ATOM 0 HB VAL A 47 0.106 10.775 -4.306 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.953 11.905 -3.127 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.471 11.861 -2.143 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.807 10.739 -1.791 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.438 10.100 -4.734 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.310 8.866 -3.458 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.312 8.736 -4.925 1.00 0.00 H new ATOM 570 N VAL A 48 -2.185 10.835 -2.557 1.00 0.00 N ATOM 571 CA VAL A 48 -3.076 11.749 -1.853 1.00 0.00 C ATOM 572 C VAL A 48 -3.935 11.009 -0.836 1.00 0.00 C ATOM 573 O VAL A 48 -4.109 11.466 0.294 1.00 0.00 O ATOM 574 CB VAL A 48 -3.994 12.508 -2.830 1.00 0.00 C ATOM 575 CG1 VAL A 48 -5.063 13.277 -2.069 1.00 0.00 C ATOM 576 CG2 VAL A 48 -3.180 13.452 -3.702 1.00 0.00 C ATOM 0 H VAL A 48 -2.356 10.769 -3.560 1.00 0.00 H new ATOM 0 HA VAL A 48 -2.441 12.467 -1.333 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.486 11.780 -3.475 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.702 13.807 -2.775 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.666 12.581 -1.486 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.588 13.995 -1.400 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.845 13.980 -4.386 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.661 14.174 -3.071 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.450 12.880 -4.275 1.00 0.00 H new ATOM 586 N LYS A 49 -4.471 9.864 -1.244 1.00 0.00 N ATOM 587 CA LYS A 49 -5.305 9.052 -0.366 1.00 0.00 C ATOM 588 C LYS A 49 -4.483 8.433 0.757 1.00 0.00 C ATOM 589 O LYS A 49 -4.957 8.296 1.884 1.00 0.00 O ATOM 590 CB LYS A 49 -6.016 7.957 -1.163 1.00 0.00 C ATOM 591 CG LYS A 49 -7.107 8.466 -2.095 1.00 0.00 C ATOM 592 CD LYS A 49 -7.755 7.324 -2.863 1.00 0.00 C ATOM 593 CE LYS A 49 -8.834 7.834 -3.809 1.00 0.00 C ATOM 594 NZ LYS A 49 -9.471 6.728 -4.575 1.00 0.00 N ATOM 0 H LYS A 49 -4.342 9.477 -2.179 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.054 9.706 0.081 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -5.276 7.414 -1.751 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -6.455 7.243 -0.466 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.865 8.994 -1.517 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.683 9.184 -2.797 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.995 6.788 -3.431 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.190 6.612 -2.162 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.595 8.365 -3.238 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.398 8.552 -4.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -10.199 7.118 -5.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.749 6.237 -5.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -9.910 6.056 -3.914 1.00 0.00 H new ATOM 608 N ALA A 50 -3.247 8.059 0.441 1.00 0.00 N ATOM 609 CA ALA A 50 -2.343 7.488 1.433 1.00 0.00 C ATOM 610 C ALA A 50 -1.917 8.532 2.455 1.00 0.00 C ATOM 611 O ALA A 50 -1.728 8.222 3.632 1.00 0.00 O ATOM 612 CB ALA A 50 -1.126 6.880 0.751 1.00 0.00 C ATOM 0 H ALA A 50 -2.849 8.141 -0.494 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.877 6.700 1.964 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.460 6.458 1.504 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.447 6.093 0.068 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.598 7.653 0.192 1.00 0.00 H new ATOM 618 N LEU A 51 -1.765 9.772 2.001 1.00 0.00 N ATOM 619 CA LEU A 51 -1.425 10.877 2.888 1.00 0.00 C ATOM 620 C LEU A 51 -2.510 11.097 3.934 1.00 0.00 C ATOM 621 O LEU A 51 -2.220 11.252 5.121 1.00 0.00 O ATOM 622 CB LEU A 51 -1.200 12.158 2.076 1.00 0.00 C ATOM 623 CG LEU A 51 0.127 12.219 1.307 1.00 0.00 C ATOM 624 CD1 LEU A 51 0.106 13.378 0.319 1.00 0.00 C ATOM 625 CD2 LEU A 51 1.278 12.369 2.291 1.00 0.00 C ATOM 0 H LEU A 51 -1.872 10.036 1.022 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.503 10.621 3.409 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.019 12.267 1.365 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.249 13.011 2.752 1.00 0.00 H new ATOM 0 HG LEU A 51 0.264 11.295 0.745 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.052 13.413 -0.221 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.711 13.238 -0.389 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.038 14.314 0.859 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.220 12.412 1.745 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.149 13.287 2.865 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.291 11.516 2.969 1.00 0.00 H new ATOM 637 N ASP A 52 -3.762 11.111 3.488 1.00 0.00 N ATOM 638 CA ASP A 52 -4.897 11.251 4.393 1.00 0.00 C ATOM 639 C ASP A 52 -5.081 10.000 5.242 1.00 0.00 C ATOM 640 O ASP A 52 -5.459 10.081 6.411 1.00 0.00 O ATOM 641 CB ASP A 52 -6.176 11.546 3.607 1.00 0.00 C ATOM 642 CG ASP A 52 -6.259 12.960 3.048 1.00 0.00 C ATOM 643 OD1 ASP A 52 -5.477 13.786 3.456 1.00 0.00 O ATOM 644 OD2 ASP A 52 -6.994 13.165 2.111 1.00 0.00 O ATOM 0 H ASP A 52 -4.016 11.027 2.504 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.691 12.088 5.060 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.253 10.837 2.782 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.035 11.374 4.256 1.00 0.00 H new ATOM 649 N GLN A 53 -4.812 8.842 4.648 1.00 0.00 N ATOM 650 CA GLN A 53 -4.862 7.579 5.373 1.00 0.00 C ATOM 651 C GLN A 53 -3.928 7.596 6.576 1.00 0.00 C ATOM 652 O GLN A 53 -4.316 7.223 7.682 1.00 0.00 O ATOM 653 CB GLN A 53 -4.494 6.415 4.450 1.00 0.00 C ATOM 654 CG GLN A 53 -4.550 5.050 5.114 1.00 0.00 C ATOM 655 CD GLN A 53 -5.959 4.661 5.517 1.00 0.00 C ATOM 656 OE1 GLN A 53 -6.933 5.020 4.849 1.00 0.00 O ATOM 657 NE2 GLN A 53 -6.078 3.925 6.617 1.00 0.00 N ATOM 0 H GLN A 53 -4.557 8.753 3.664 1.00 0.00 H new ATOM 0 HA GLN A 53 -5.883 7.444 5.730 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.169 6.418 3.594 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.488 6.577 4.063 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.150 4.300 4.431 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -3.910 5.052 5.996 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.246 3.650 7.139 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.001 3.635 6.939 1.00 0.00 H new ATOM 666 N LEU A 54 -2.693 8.032 6.352 1.00 0.00 N ATOM 667 CA LEU A 54 -1.697 8.093 7.416 1.00 0.00 C ATOM 668 C LEU A 54 -2.104 9.089 8.495 1.00 0.00 C ATOM 669 O LEU A 54 -1.952 8.824 9.687 1.00 0.00 O ATOM 670 CB LEU A 54 -0.325 8.464 6.838 1.00 0.00 C ATOM 671 CG LEU A 54 0.319 7.392 5.948 1.00 0.00 C ATOM 672 CD1 LEU A 54 1.513 7.977 5.209 1.00 0.00 C ATOM 673 CD2 LEU A 54 0.742 6.208 6.805 1.00 0.00 C ATOM 0 H LEU A 54 -2.357 8.349 5.442 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.633 7.107 7.876 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.428 9.381 6.258 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.352 8.683 7.663 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.405 7.049 5.209 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.964 7.209 4.580 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.184 8.809 4.586 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.249 8.333 5.930 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.199 5.447 6.173 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.462 6.539 7.553 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.132 5.789 7.303 1.00 0.00 H new ATOM 685 N ALA A 55 -2.621 10.236 8.068 1.00 0.00 N ATOM 686 CA ALA A 55 -3.000 11.297 8.994 1.00 0.00 C ATOM 687 C ALA A 55 -4.147 10.856 9.897 1.00 0.00 C ATOM 688 O ALA A 55 -4.187 11.200 11.077 1.00 0.00 O ATOM 689 CB ALA A 55 -3.378 12.558 8.230 1.00 0.00 C ATOM 0 H ALA A 55 -2.787 10.455 7.086 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.140 11.516 9.627 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.658 13.340 8.935 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.527 12.892 7.636 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -4.219 12.345 7.571 1.00 0.00 H new ATOM 695 N GLN A 56 -5.076 10.093 9.333 1.00 0.00 N ATOM 696 CA GLN A 56 -6.207 9.576 10.094 1.00 0.00 C ATOM 697 C GLN A 56 -5.772 8.469 11.045 1.00 0.00 C ATOM 698 O GLN A 56 -6.306 8.340 12.147 1.00 0.00 O ATOM 699 CB GLN A 56 -7.293 9.049 9.150 1.00 0.00 C ATOM 700 CG GLN A 56 -8.056 10.135 8.412 1.00 0.00 C ATOM 701 CD GLN A 56 -9.037 9.569 7.403 1.00 0.00 C ATOM 702 OE1 GLN A 56 -9.109 8.353 7.201 1.00 0.00 O ATOM 703 NE2 GLN A 56 -9.797 10.448 6.760 1.00 0.00 N ATOM 0 H GLN A 56 -5.068 9.819 8.351 1.00 0.00 H new ATOM 0 HA GLN A 56 -6.612 10.398 10.684 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -6.832 8.384 8.420 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -8.000 8.451 9.725 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -8.595 10.750 9.133 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -7.349 10.788 7.900 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -9.704 11.444 6.959 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -10.474 10.127 6.068 1.00 0.00 H new ATOM 712 N GLU A 57 -4.799 7.674 10.615 1.00 0.00 N ATOM 713 CA GLU A 57 -4.239 6.623 11.456 1.00 0.00 C ATOM 714 C GLU A 57 -3.429 7.211 12.604 1.00 0.00 C ATOM 715 O GLU A 57 -3.327 6.613 13.675 1.00 0.00 O ATOM 716 CB GLU A 57 -3.366 5.680 10.625 1.00 0.00 C ATOM 717 CG GLU A 57 -4.144 4.762 9.693 1.00 0.00 C ATOM 718 CD GLU A 57 -3.220 3.988 8.793 1.00 0.00 C ATOM 719 OE1 GLU A 57 -2.031 4.165 8.900 1.00 0.00 O ATOM 720 OE2 GLU A 57 -3.695 3.136 8.079 1.00 0.00 O ATOM 0 H GLU A 57 -4.381 7.738 9.687 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.068 6.056 11.879 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.671 6.275 10.033 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.767 5.069 11.300 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.747 4.070 10.281 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.833 5.352 9.089 1.00 0.00 H new ATOM 727 N GLY A 58 -2.852 8.387 12.374 1.00 0.00 N ATOM 728 CA GLY A 58 -2.058 9.062 13.393 1.00 0.00 C ATOM 729 C GLY A 58 -0.569 8.822 13.179 1.00 0.00 C ATOM 730 O GLY A 58 0.228 8.944 14.108 1.00 0.00 O ATOM 0 H GLY A 58 -2.920 8.892 11.490 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.264 10.132 13.369 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.349 8.704 14.381 1.00 0.00 H new ATOM 734 N LYS A 59 -0.201 8.482 11.948 1.00 0.00 N ATOM 735 CA LYS A 59 1.196 8.241 11.607 1.00 0.00 C ATOM 736 C LYS A 59 1.899 9.536 11.218 1.00 0.00 C ATOM 737 O LYS A 59 3.079 9.724 11.512 1.00 0.00 O ATOM 738 CB LYS A 59 1.301 7.225 10.468 1.00 0.00 C ATOM 739 CG LYS A 59 0.797 5.831 10.822 1.00 0.00 C ATOM 740 CD LYS A 59 1.647 5.195 11.912 1.00 0.00 C ATOM 741 CE LYS A 59 1.144 3.803 12.264 1.00 0.00 C ATOM 742 NZ LYS A 59 1.942 3.184 13.359 1.00 0.00 N ATOM 0 H LYS A 59 -0.851 8.367 11.170 1.00 0.00 H new ATOM 0 HA LYS A 59 1.690 7.836 12.490 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.737 7.596 9.613 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.343 7.153 10.156 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.239 5.890 11.155 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.811 5.201 9.933 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.684 5.136 11.580 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.632 5.825 12.801 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.098 3.860 12.565 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.187 3.167 11.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.567 2.237 13.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.936 3.105 13.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.881 3.777 14.211 1.00 0.00 H new ATOM 756 N ILE A 60 1.166 10.425 10.558 1.00 0.00 N ATOM 757 CA ILE A 60 1.712 11.713 10.146 1.00 0.00 C ATOM 758 C ILE A 60 0.777 12.855 10.525 1.00 0.00 C ATOM 759 O ILE A 60 -0.392 12.633 10.839 1.00 0.00 O ATOM 760 CB ILE A 60 1.972 11.758 8.629 1.00 0.00 C ATOM 761 CG1 ILE A 60 0.651 11.706 7.859 1.00 0.00 C ATOM 762 CG2 ILE A 60 2.882 10.612 8.212 1.00 0.00 C ATOM 763 CD1 ILE A 60 0.810 11.855 6.363 1.00 0.00 C ATOM 0 H ILE A 60 0.191 10.278 10.296 1.00 0.00 H new ATOM 0 HA ILE A 60 2.659 11.834 10.671 1.00 0.00 H new ATOM 0 HB ILE A 60 2.471 12.697 8.390 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.156 10.758 8.070 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -0.004 12.496 8.226 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.056 10.658 7.137 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.834 10.693 8.737 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.409 9.662 8.463 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.169 11.808 5.887 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.276 12.815 6.140 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.438 11.050 5.982 1.00 0.00 H new ATOM 775 N LYS A 61 1.300 14.075 10.494 1.00 0.00 N ATOM 776 CA LYS A 61 0.483 15.264 10.710 1.00 0.00 C ATOM 777 C LYS A 61 0.290 16.041 9.414 1.00 0.00 C ATOM 778 O LYS A 61 1.054 15.880 8.463 1.00 0.00 O ATOM 779 CB LYS A 61 1.114 16.163 11.773 1.00 0.00 C ATOM 780 CG LYS A 61 1.093 15.583 13.181 1.00 0.00 C ATOM 781 CD LYS A 61 1.636 16.576 14.197 1.00 0.00 C ATOM 782 CE LYS A 61 1.497 16.048 15.617 1.00 0.00 C ATOM 783 NZ LYS A 61 1.993 17.024 16.626 1.00 0.00 N ATOM 0 H LYS A 61 2.287 14.267 10.321 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.496 14.937 11.061 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.147 16.366 11.492 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.591 17.119 11.779 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.073 15.308 13.448 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.687 14.670 13.209 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.685 16.780 13.984 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.102 17.522 14.105 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.450 15.819 15.818 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.051 15.114 15.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.880 16.625 17.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.999 17.224 16.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.447 17.906 16.553 1.00 0.00 H new ATOM 797 N GLU A 62 -0.736 16.885 9.383 1.00 0.00 N ATOM 798 CA GLU A 62 -1.104 17.601 8.167 1.00 0.00 C ATOM 799 C GLU A 62 -1.469 19.048 8.469 1.00 0.00 C ATOM 800 O GLU A 62 -1.963 19.361 9.552 1.00 0.00 O ATOM 801 CB GLU A 62 -2.269 16.900 7.465 1.00 0.00 C ATOM 802 CG GLU A 62 -3.580 16.934 8.237 1.00 0.00 C ATOM 803 CD GLU A 62 -4.677 16.235 7.483 1.00 0.00 C ATOM 804 OE1 GLU A 62 -4.411 15.727 6.420 1.00 0.00 O ATOM 805 OE2 GLU A 62 -5.754 16.109 8.019 1.00 0.00 O ATOM 0 H GLU A 62 -1.328 17.090 10.188 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.239 17.600 7.504 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.423 17.364 6.491 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.995 15.861 7.283 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.444 16.459 9.209 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.867 17.969 8.425 1.00 0.00 H new ATOM 812 N LYS A 63 -1.222 19.928 7.504 1.00 0.00 N ATOM 813 CA LYS A 63 -1.673 21.312 7.596 1.00 0.00 C ATOM 814 C LYS A 63 -1.872 21.920 6.214 1.00 0.00 C ATOM 815 O LYS A 63 -1.012 21.795 5.342 1.00 0.00 O ATOM 816 CB LYS A 63 -0.676 22.148 8.400 1.00 0.00 C ATOM 817 CG LYS A 63 -1.054 23.617 8.536 1.00 0.00 C ATOM 818 CD LYS A 63 -2.215 23.803 9.502 1.00 0.00 C ATOM 819 CE LYS A 63 -2.604 25.269 9.626 1.00 0.00 C ATOM 820 NZ LYS A 63 -3.843 25.449 10.432 1.00 0.00 N ATOM 0 H LYS A 63 -0.712 19.707 6.649 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.634 21.316 8.111 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.579 21.717 9.396 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.303 22.079 7.926 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.192 24.185 8.886 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.324 24.017 7.559 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.073 23.225 9.158 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.941 23.413 10.482 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.787 25.823 10.088 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.753 25.690 8.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.074 26.461 10.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.629 24.941 9.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.693 25.070 11.389 1.00 0.00 H new ATOM 834 N THR A 64 -3.010 22.576 6.020 1.00 0.00 N ATOM 835 CA THR A 64 -3.312 23.229 4.751 1.00 0.00 C ATOM 836 C THR A 64 -2.710 24.627 4.695 1.00 0.00 C ATOM 837 O THR A 64 -2.980 25.465 5.555 1.00 0.00 O ATOM 838 CB THR A 64 -4.829 23.324 4.511 1.00 0.00 C ATOM 839 OG1 THR A 64 -5.399 22.008 4.514 1.00 0.00 O ATOM 840 CG2 THR A 64 -5.117 23.993 3.176 1.00 0.00 C ATOM 0 H THR A 64 -3.740 22.670 6.726 1.00 0.00 H new ATOM 0 HA THR A 64 -2.868 22.614 3.968 1.00 0.00 H new ATOM 0 HB THR A 64 -5.271 23.922 5.308 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.365 22.070 4.363 1.00 0.00 H new ATOM 0 HG21 THR A 64 -6.195 24.051 3.023 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.695 24.998 3.174 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.668 23.410 2.372 1.00 0.00 H new ATOM 848 N TYR A 65 -1.893 24.874 3.676 1.00 0.00 N ATOM 849 CA TYR A 65 -1.286 26.186 3.481 1.00 0.00 C ATOM 850 C TYR A 65 -1.783 26.838 2.199 1.00 0.00 C ATOM 851 O TYR A 65 -1.275 26.561 1.112 1.00 0.00 O ATOM 852 CB TYR A 65 0.240 26.070 3.454 1.00 0.00 C ATOM 853 CG TYR A 65 0.845 25.637 4.772 1.00 0.00 C ATOM 854 CD1 TYR A 65 1.034 24.294 5.062 1.00 0.00 C ATOM 855 CD2 TYR A 65 1.228 26.574 5.719 1.00 0.00 C ATOM 856 CE1 TYR A 65 1.587 23.894 6.263 1.00 0.00 C ATOM 857 CE2 TYR A 65 1.782 26.186 6.924 1.00 0.00 C ATOM 858 CZ TYR A 65 1.960 24.843 7.192 1.00 0.00 C ATOM 859 OH TYR A 65 2.512 24.451 8.390 1.00 0.00 O ATOM 0 H TYR A 65 -1.636 24.182 2.972 1.00 0.00 H new ATOM 0 HA TYR A 65 -1.580 26.817 4.320 1.00 0.00 H new ATOM 0 HB2 TYR A 65 0.527 25.356 2.682 1.00 0.00 H new ATOM 0 HB3 TYR A 65 0.663 27.034 3.170 1.00 0.00 H new ATOM 0 HD1 TYR A 65 0.744 23.548 4.337 1.00 0.00 H new ATOM 0 HD2 TYR A 65 1.091 27.625 5.512 1.00 0.00 H new ATOM 0 HE1 TYR A 65 1.727 22.844 6.473 1.00 0.00 H new ATOM 0 HE2 TYR A 65 2.074 26.929 7.652 1.00 0.00 H new ATOM 0 HH TYR A 65 2.719 25.243 8.929 1.00 0.00 H new ATOM 869 N GLY A 66 -2.780 27.706 2.330 1.00 0.00 N ATOM 870 CA GLY A 66 -3.398 28.345 1.174 1.00 0.00 C ATOM 871 C GLY A 66 -4.334 27.386 0.450 1.00 0.00 C ATOM 872 O GLY A 66 -5.403 27.046 0.958 1.00 0.00 O ATOM 0 H GLY A 66 -3.178 27.984 3.227 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.953 29.226 1.496 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.624 28.689 0.488 1.00 0.00 H new ATOM 876 N LYS A 67 -3.927 26.954 -0.738 1.00 0.00 N ATOM 877 CA LYS A 67 -4.729 26.030 -1.532 1.00 0.00 C ATOM 878 C LYS A 67 -4.102 24.642 -1.560 1.00 0.00 C ATOM 879 O LYS A 67 -4.716 23.682 -2.024 1.00 0.00 O ATOM 880 CB LYS A 67 -4.900 26.558 -2.957 1.00 0.00 C ATOM 881 CG LYS A 67 -5.685 27.858 -3.057 1.00 0.00 C ATOM 882 CD LYS A 67 -5.839 28.303 -4.504 1.00 0.00 C ATOM 883 CE LYS A 67 -6.605 29.614 -4.602 1.00 0.00 C ATOM 884 NZ LYS A 67 -6.736 30.077 -6.010 1.00 0.00 N ATOM 0 H LYS A 67 -3.046 27.229 -1.173 1.00 0.00 H new ATOM 0 HA LYS A 67 -5.710 25.952 -1.063 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -3.914 26.709 -3.396 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -5.402 25.798 -3.555 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -6.670 27.726 -2.609 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.177 28.636 -2.487 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -4.855 28.420 -4.957 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.361 27.531 -5.070 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.597 29.488 -4.168 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.094 30.377 -4.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.264 30.973 -6.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.790 30.222 -6.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.246 29.360 -6.565 1.00 0.00 H new ATOM 898 N GLN A 68 -2.875 24.542 -1.059 1.00 0.00 N ATOM 899 CA GLN A 68 -2.154 23.274 -1.043 1.00 0.00 C ATOM 900 C GLN A 68 -2.016 22.736 0.375 1.00 0.00 C ATOM 901 O GLN A 68 -2.148 23.480 1.348 1.00 0.00 O ATOM 902 CB GLN A 68 -0.768 23.439 -1.670 1.00 0.00 C ATOM 903 CG GLN A 68 -0.788 23.964 -3.096 1.00 0.00 C ATOM 904 CD GLN A 68 -1.484 23.015 -4.053 1.00 0.00 C ATOM 905 OE1 GLN A 68 -1.214 21.811 -4.062 1.00 0.00 O ATOM 906 NE2 GLN A 68 -2.384 23.554 -4.867 1.00 0.00 N ATOM 0 H GLN A 68 -2.359 25.325 -0.658 1.00 0.00 H new ATOM 0 HA GLN A 68 -2.730 22.558 -1.629 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -0.181 24.119 -1.053 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -0.258 22.476 -1.657 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -1.291 24.931 -3.117 1.00 0.00 H new ATOM 0 HG3 GLN A 68 0.235 24.130 -3.433 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -2.575 24.555 -4.825 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -2.884 22.967 -5.535 1.00 0.00 H new ATOM 915 N LYS A 69 -1.750 21.439 0.487 1.00 0.00 N ATOM 916 CA LYS A 69 -1.568 20.804 1.787 1.00 0.00 C ATOM 917 C LYS A 69 -0.138 20.308 1.962 1.00 0.00 C ATOM 918 O LYS A 69 0.499 19.872 1.004 1.00 0.00 O ATOM 919 CB LYS A 69 -2.551 19.645 1.959 1.00 0.00 C ATOM 920 CG LYS A 69 -4.015 20.063 2.003 1.00 0.00 C ATOM 921 CD LYS A 69 -4.928 18.863 2.202 1.00 0.00 C ATOM 922 CE LYS A 69 -6.391 19.279 2.238 1.00 0.00 C ATOM 923 NZ LYS A 69 -7.297 18.113 2.425 1.00 0.00 N ATOM 0 H LYS A 69 -1.656 20.807 -0.308 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.766 21.552 2.554 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.411 18.941 1.138 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.310 19.113 2.879 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -4.167 20.776 2.813 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -4.278 20.572 1.076 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.771 18.147 1.395 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.669 18.357 3.132 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.546 19.992 3.048 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -6.645 19.791 1.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.284 18.440 2.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.169 17.444 1.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.072 17.639 3.323 1.00 0.00 H new ATOM 937 N ILE A 70 0.360 20.378 3.191 1.00 0.00 N ATOM 938 CA ILE A 70 1.694 19.881 3.507 1.00 0.00 C ATOM 939 C ILE A 70 1.643 18.821 4.601 1.00 0.00 C ATOM 940 O ILE A 70 0.954 18.988 5.607 1.00 0.00 O ATOM 941 CB ILE A 70 2.631 21.020 3.951 1.00 0.00 C ATOM 942 CG1 ILE A 70 2.874 21.992 2.794 1.00 0.00 C ATOM 943 CG2 ILE A 70 3.947 20.456 4.463 1.00 0.00 C ATOM 944 CD1 ILE A 70 3.776 23.152 3.151 1.00 0.00 C ATOM 0 H ILE A 70 -0.141 20.775 3.986 1.00 0.00 H new ATOM 0 HA ILE A 70 2.087 19.436 2.593 1.00 0.00 H new ATOM 0 HB ILE A 70 2.153 21.566 4.764 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.313 21.446 1.959 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.915 22.381 2.451 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.598 21.274 4.773 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.756 19.802 5.314 1.00 0.00 H new ATOM 0 HG23 ILE A 70 4.432 19.887 3.670 1.00 0.00 H new ATOM 0 HD11 ILE A 70 3.901 23.797 2.281 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.329 23.723 3.965 1.00 0.00 H new ATOM 0 HD13 ILE A 70 4.749 22.773 3.465 1.00 0.00 H new ATOM 956 N TYR A 71 2.377 17.733 4.397 1.00 0.00 N ATOM 957 CA TYR A 71 2.375 16.621 5.340 1.00 0.00 C ATOM 958 C TYR A 71 3.771 16.363 5.890 1.00 0.00 C ATOM 959 O TYR A 71 4.772 16.624 5.221 1.00 0.00 O ATOM 960 CB TYR A 71 1.832 15.355 4.672 1.00 0.00 C ATOM 961 CG TYR A 71 0.399 15.476 4.204 1.00 0.00 C ATOM 962 CD1 TYR A 71 0.090 16.115 3.013 1.00 0.00 C ATOM 963 CD2 TYR A 71 -0.641 14.947 4.954 1.00 0.00 C ATOM 964 CE1 TYR A 71 -1.217 16.228 2.579 1.00 0.00 C ATOM 965 CE2 TYR A 71 -1.952 15.054 4.531 1.00 0.00 C ATOM 966 CZ TYR A 71 -2.236 15.695 3.342 1.00 0.00 C ATOM 967 OH TYR A 71 -3.539 15.803 2.917 1.00 0.00 O ATOM 0 H TYR A 71 2.981 17.597 3.587 1.00 0.00 H new ATOM 0 HA TYR A 71 1.725 16.891 6.172 1.00 0.00 H new ATOM 0 HB2 TYR A 71 2.463 15.107 3.819 1.00 0.00 H new ATOM 0 HB3 TYR A 71 1.906 14.525 5.375 1.00 0.00 H new ATOM 0 HD1 TYR A 71 0.886 16.532 2.413 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -0.422 14.443 5.884 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -1.440 16.730 1.649 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -2.750 14.638 5.128 1.00 0.00 H new ATOM 0 HH TYR A 71 -4.046 15.019 3.215 1.00 0.00 H new ATOM 977 N PHE A 72 3.834 15.850 7.115 1.00 0.00 N ATOM 978 CA PHE A 72 5.100 15.441 7.710 1.00 0.00 C ATOM 979 C PHE A 72 4.887 14.379 8.782 1.00 0.00 C ATOM 980 O PHE A 72 3.848 14.348 9.441 1.00 0.00 O ATOM 981 CB PHE A 72 5.827 16.649 8.303 1.00 0.00 C ATOM 982 CG PHE A 72 5.083 17.313 9.426 1.00 0.00 C ATOM 983 CD1 PHE A 72 4.128 18.285 9.167 1.00 0.00 C ATOM 984 CD2 PHE A 72 5.334 16.965 10.746 1.00 0.00 C ATOM 985 CE1 PHE A 72 3.443 18.896 10.199 1.00 0.00 C ATOM 986 CE2 PHE A 72 4.650 17.575 11.780 1.00 0.00 C ATOM 987 CZ PHE A 72 3.704 18.541 11.506 1.00 0.00 C ATOM 0 H PHE A 72 3.021 15.708 7.715 1.00 0.00 H new ATOM 0 HA PHE A 72 5.716 15.009 6.921 1.00 0.00 H new ATOM 0 HB2 PHE A 72 6.805 16.331 8.665 1.00 0.00 H new ATOM 0 HB3 PHE A 72 6.002 17.380 7.513 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.918 18.567 8.146 1.00 0.00 H new ATOM 0 HD2 PHE A 72 6.072 16.209 10.967 1.00 0.00 H new ATOM 0 HE1 PHE A 72 2.703 19.652 9.982 1.00 0.00 H new ATOM 0 HE2 PHE A 72 4.856 17.296 12.803 1.00 0.00 H new ATOM 0 HZ PHE A 72 3.169 19.018 12.313 1.00 0.00 H new ATOM 997 N ALA A 73 5.878 13.509 8.951 1.00 0.00 N ATOM 998 CA ALA A 73 5.765 12.392 9.881 1.00 0.00 C ATOM 999 C ALA A 73 5.910 12.859 11.324 1.00 0.00 C ATOM 1000 O ALA A 73 6.673 13.781 11.614 1.00 0.00 O ATOM 1001 CB ALA A 73 6.804 11.328 9.558 1.00 0.00 C ATOM 0 H ALA A 73 6.768 13.557 8.456 1.00 0.00 H new ATOM 0 HA ALA A 73 4.771 11.958 9.768 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.708 10.500 10.261 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.647 10.963 8.543 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.802 11.758 9.639 1.00 0.00 H new ATOM 1007 N ASP A 74 5.174 12.218 12.225 1.00 0.00 N ATOM 1008 CA ASP A 74 5.213 12.572 13.639 1.00 0.00 C ATOM 1009 C ASP A 74 4.559 11.495 14.495 1.00 0.00 C ATOM 1010 O ASP A 74 5.169 10.501 14.777 1.00 0.00 O ATOM 1011 CB ASP A 74 4.524 13.919 13.872 1.00 0.00 C ATOM 1012 CG ASP A 74 4.779 14.526 15.246 1.00 0.00 C ATOM 1013 OD1 ASP A 74 4.464 13.889 16.223 1.00 0.00 O ATOM 1014 OD2 ASP A 74 5.427 15.544 15.311 1.00 0.00 O ATOM 0 H ASP A 74 4.542 11.449 12.001 1.00 0.00 H new ATOM 0 HA ASP A 74 6.259 12.653 13.934 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.860 14.622 13.110 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.450 13.792 13.738 1.00 0.00 H new TER 1019 ASP A 74