USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 544 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 21 LYS NZ :NH3+ -108:sc= 0.115 (180deg=-0.164) USER MOD Set 1.2: A 51 TYR OH : rot 30:sc= 0.223 USER MOD Set 2.1: A 1 GLY N :NH3+ 141:sc= 0.528 (180deg=-0.0417) USER MOD Set 2.2: A 3 GLN : amide:sc= -6.04! K(o=-5.5!,f=-4.7) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -160:sc= -0.0565 (180deg=-0.407) USER MOD Single : A 19 LYS NZ :NH3+ -167:sc= -0.0206 (180deg=-0.207) USER MOD Single : A 25 TYR OH : rot 4:sc= -1.31! USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 180:sc= -4! USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HD1:sc= -8.58! C(o=-8.6!,f=-5.6!) USER MOD Single : A 49 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.103) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 ALA N :NH3+ -141:sc= 0 (180deg=-0.719) USER MOD Single : B 5 THR OG1 : rot -130:sc= -2.55! USER MOD Single : B 9 LYS NZ :NH3+ 170:sc= -0.083 (180deg=-0.218) USER MOD Single : B 11 LYS NZ :NH3+ 137:sc= -0.133 (180deg=-0.258) USER MOD Single : B 14 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.418 3.399 -6.125 1.00 2.97 N ATOM 2 CA GLY A 1 10.894 3.577 -6.217 1.00 2.83 C ATOM 3 C GLY A 1 11.377 4.840 -5.526 1.00 2.42 C ATOM 4 O GLY A 1 12.348 5.458 -5.963 1.00 2.48 O ATOM 0 H1 GLY A 1 9.057 3.023 -7.025 1.00 2.97 H new ATOM 0 H2 GLY A 1 9.196 2.733 -5.358 1.00 2.97 H new ATOM 0 H3 GLY A 1 8.969 4.316 -5.928 1.00 2.97 H new ATOM 0 HA2 GLY A 1 11.388 2.713 -5.773 1.00 2.83 H new ATOM 0 HA3 GLY A 1 11.187 3.607 -7.266 1.00 2.83 H new ATOM 10 N SER A 2 10.704 5.219 -4.442 1.00 2.16 N ATOM 11 CA SER A 2 11.071 6.419 -3.691 1.00 2.05 C ATOM 12 C SER A 2 10.100 6.665 -2.544 1.00 1.75 C ATOM 13 O SER A 2 10.480 7.184 -1.496 1.00 1.62 O ATOM 14 CB SER A 2 11.109 7.637 -4.610 1.00 2.84 C ATOM 15 OG SER A 2 9.856 7.845 -5.239 1.00 3.15 O ATOM 0 H SER A 2 9.903 4.714 -4.064 1.00 2.16 H new ATOM 0 HA SER A 2 12.065 6.259 -3.274 1.00 2.05 H new ATOM 0 HB2 SER A 2 11.381 8.522 -4.034 1.00 2.84 H new ATOM 0 HB3 SER A 2 11.881 7.500 -5.368 1.00 2.84 H new ATOM 0 HG SER A 2 9.908 8.632 -5.820 1.00 3.15 H new ATOM 21 N GLN A 3 8.843 6.287 -2.749 1.00 1.94 N ATOM 22 CA GLN A 3 7.824 6.451 -1.732 1.00 1.65 C ATOM 23 C GLN A 3 7.810 5.236 -0.813 1.00 1.12 C ATOM 24 O GLN A 3 7.892 4.097 -1.274 1.00 1.83 O ATOM 25 CB GLN A 3 6.461 6.644 -2.399 1.00 2.43 C ATOM 26 CG GLN A 3 5.838 5.362 -2.941 1.00 3.29 C ATOM 27 CD GLN A 3 6.495 4.888 -4.223 1.00 4.00 C ATOM 28 OE1 GLN A 3 6.922 5.694 -5.050 1.00 4.57 O ATOM 29 NE2 GLN A 3 6.594 3.575 -4.388 1.00 4.45 N ATOM 0 H GLN A 3 8.510 5.864 -3.615 1.00 1.94 H new ATOM 0 HA GLN A 3 8.045 7.333 -1.131 1.00 1.65 H new ATOM 0 HB2 GLN A 3 5.776 7.089 -1.677 1.00 2.43 H new ATOM 0 HB3 GLN A 3 6.568 7.356 -3.218 1.00 2.43 H new ATOM 0 HG2 GLN A 3 5.915 4.579 -2.187 1.00 3.29 H new ATOM 0 HG3 GLN A 3 4.776 5.527 -3.122 1.00 3.29 H new ATOM 0 HE21 GLN A 3 6.226 2.943 -3.677 1.00 4.45 H new ATOM 0 HE22 GLN A 3 7.038 3.198 -5.226 1.00 4.45 H new ATOM 38 N VAL A 4 7.706 5.481 0.485 1.00 0.52 N ATOM 39 CA VAL A 4 7.712 4.402 1.457 1.00 1.23 C ATOM 40 C VAL A 4 6.304 3.913 1.748 1.00 1.08 C ATOM 41 O VAL A 4 5.918 3.763 2.907 1.00 1.66 O ATOM 42 CB VAL A 4 8.374 4.824 2.784 1.00 2.03 C ATOM 43 CG1 VAL A 4 8.892 3.604 3.529 1.00 3.08 C ATOM 44 CG2 VAL A 4 9.494 5.827 2.543 1.00 2.57 C ATOM 0 H VAL A 4 7.617 6.414 0.887 1.00 0.52 H new ATOM 0 HA VAL A 4 8.295 3.595 1.012 1.00 1.23 H new ATOM 0 HB VAL A 4 7.619 5.311 3.401 1.00 2.03 H new ATOM 0 HG11 VAL A 4 9.357 3.918 4.464 1.00 3.08 H new ATOM 0 HG12 VAL A 4 8.063 2.930 3.745 1.00 3.08 H new ATOM 0 HG13 VAL A 4 9.629 3.087 2.914 1.00 3.08 H new ATOM 0 HG21 VAL A 4 9.943 6.107 3.496 1.00 2.57 H new ATOM 0 HG22 VAL A 4 10.253 5.378 1.902 1.00 2.57 H new ATOM 0 HG23 VAL A 4 9.089 6.715 2.058 1.00 2.57 H new ATOM 54 N PHE A 5 5.530 3.660 0.692 1.00 0.41 N ATOM 55 CA PHE A 5 4.166 3.164 0.855 1.00 0.40 C ATOM 56 C PHE A 5 3.400 3.155 -0.470 1.00 0.40 C ATOM 57 O PHE A 5 3.703 3.925 -1.382 1.00 0.65 O ATOM 58 CB PHE A 5 3.414 4.021 1.867 1.00 0.52 C ATOM 59 CG PHE A 5 3.698 5.491 1.744 1.00 0.85 C ATOM 60 CD1 PHE A 5 3.195 6.222 0.679 1.00 1.61 C ATOM 61 CD2 PHE A 5 4.471 6.142 2.692 1.00 1.24 C ATOM 62 CE1 PHE A 5 3.456 7.574 0.564 1.00 2.16 C ATOM 63 CE2 PHE A 5 4.736 7.493 2.582 1.00 1.82 C ATOM 64 CZ PHE A 5 4.229 8.210 1.517 1.00 1.82 C ATOM 0 H PHE A 5 5.822 3.789 -0.277 1.00 0.41 H new ATOM 0 HA PHE A 5 4.235 2.137 1.214 1.00 0.40 H new ATOM 0 HB2 PHE A 5 2.344 3.856 1.745 1.00 0.52 H new ATOM 0 HB3 PHE A 5 3.675 3.693 2.873 1.00 0.52 H new ATOM 0 HD1 PHE A 5 2.592 5.729 -0.069 1.00 1.61 H new ATOM 0 HD2 PHE A 5 4.871 5.586 3.527 1.00 1.24 H new ATOM 0 HE1 PHE A 5 3.057 8.133 -0.269 1.00 2.16 H new ATOM 0 HE2 PHE A 5 5.339 7.988 3.329 1.00 1.82 H new ATOM 0 HZ PHE A 5 4.436 9.266 1.429 1.00 1.82 H new ATOM 74 N GLU A 6 2.405 2.272 -0.563 1.00 0.26 N ATOM 75 CA GLU A 6 1.573 2.160 -1.761 1.00 0.29 C ATOM 76 C GLU A 6 0.091 2.064 -1.408 1.00 0.27 C ATOM 77 O GLU A 6 -0.287 1.423 -0.431 1.00 0.32 O ATOM 78 CB GLU A 6 1.976 0.937 -2.579 1.00 0.35 C ATOM 79 CG GLU A 6 2.832 1.277 -3.782 1.00 1.04 C ATOM 80 CD GLU A 6 3.983 2.194 -3.427 1.00 1.84 C ATOM 81 OE1 GLU A 6 4.821 1.797 -2.590 1.00 2.41 O ATOM 82 OE2 GLU A 6 4.046 3.310 -3.982 1.00 2.36 O ATOM 0 H GLU A 6 2.155 1.621 0.181 1.00 0.26 H new ATOM 0 HA GLU A 6 1.731 3.063 -2.350 1.00 0.29 H new ATOM 0 HB2 GLU A 6 2.521 0.243 -1.938 1.00 0.35 H new ATOM 0 HB3 GLU A 6 1.077 0.421 -2.916 1.00 0.35 H new ATOM 0 HG2 GLU A 6 3.224 0.358 -4.218 1.00 1.04 H new ATOM 0 HG3 GLU A 6 2.213 1.752 -4.543 1.00 1.04 H new ATOM 89 N TYR A 7 -0.744 2.698 -2.222 1.00 0.26 N ATOM 90 CA TYR A 7 -2.179 2.689 -2.013 1.00 0.26 C ATOM 91 C TYR A 7 -2.835 1.520 -2.723 1.00 0.24 C ATOM 92 O TYR A 7 -2.705 1.359 -3.937 1.00 0.32 O ATOM 93 CB TYR A 7 -2.771 3.997 -2.514 1.00 0.31 C ATOM 94 CG TYR A 7 -2.404 4.327 -3.947 1.00 0.41 C ATOM 95 CD1 TYR A 7 -3.088 3.763 -5.014 1.00 1.25 C ATOM 96 CD2 TYR A 7 -1.365 5.207 -4.228 1.00 1.40 C ATOM 97 CE1 TYR A 7 -2.751 4.065 -6.320 1.00 1.45 C ATOM 98 CE2 TYR A 7 -1.021 5.515 -5.529 1.00 1.70 C ATOM 99 CZ TYR A 7 -1.717 4.942 -6.573 1.00 1.28 C ATOM 100 OH TYR A 7 -1.377 5.247 -7.871 1.00 1.73 O ATOM 0 H TYR A 7 -0.444 3.229 -3.040 1.00 0.26 H new ATOM 0 HA TYR A 7 -2.369 2.580 -0.945 1.00 0.26 H new ATOM 0 HB2 TYR A 7 -3.857 3.950 -2.429 1.00 0.31 H new ATOM 0 HB3 TYR A 7 -2.436 4.808 -1.867 1.00 0.31 H new ATOM 0 HD1 TYR A 7 -3.898 3.076 -4.821 1.00 1.25 H new ATOM 0 HD2 TYR A 7 -0.817 5.658 -3.414 1.00 1.40 H new ATOM 0 HE1 TYR A 7 -3.295 3.616 -7.138 1.00 1.45 H new ATOM 0 HE2 TYR A 7 -0.211 6.201 -5.728 1.00 1.70 H new ATOM 0 HH TYR A 7 -0.629 5.880 -7.873 1.00 1.73 H new ATOM 110 N ALA A 8 -3.530 0.694 -1.954 1.00 0.23 N ATOM 111 CA ALA A 8 -4.223 -0.452 -2.514 1.00 0.26 C ATOM 112 C ALA A 8 -5.727 -0.219 -2.521 1.00 0.28 C ATOM 113 O ALA A 8 -6.490 -1.035 -2.004 1.00 0.38 O ATOM 114 CB ALA A 8 -3.887 -1.709 -1.729 1.00 0.35 C ATOM 0 H ALA A 8 -3.627 0.797 -0.944 1.00 0.23 H new ATOM 0 HA ALA A 8 -3.891 -0.584 -3.544 1.00 0.26 H new ATOM 0 HB1 ALA A 8 -4.414 -2.560 -2.161 1.00 0.35 H new ATOM 0 HB2 ALA A 8 -2.813 -1.888 -1.772 1.00 0.35 H new ATOM 0 HB3 ALA A 8 -4.193 -1.582 -0.690 1.00 0.35 H new ATOM 120 N GLU A 9 -6.154 0.899 -3.105 1.00 0.25 N ATOM 121 CA GLU A 9 -7.573 1.216 -3.150 1.00 0.32 C ATOM 122 C GLU A 9 -8.167 1.029 -4.515 1.00 0.33 C ATOM 123 O GLU A 9 -7.482 0.698 -5.484 1.00 0.44 O ATOM 124 CB GLU A 9 -7.850 2.630 -2.651 1.00 0.41 C ATOM 125 CG GLU A 9 -7.622 3.730 -3.674 1.00 0.36 C ATOM 126 CD GLU A 9 -6.241 3.695 -4.291 1.00 2.29 C ATOM 127 OE1 GLU A 9 -6.020 2.865 -5.198 1.00 2.80 O ATOM 128 OE2 GLU A 9 -5.384 4.500 -3.872 1.00 2.65 O ATOM 0 H GLU A 9 -5.546 1.589 -3.546 1.00 0.25 H new ATOM 0 HA GLU A 9 -8.057 0.505 -2.480 1.00 0.32 H new ATOM 0 HB2 GLU A 9 -8.884 2.682 -2.309 1.00 0.41 H new ATOM 0 HB3 GLU A 9 -7.217 2.824 -1.785 1.00 0.41 H new ATOM 0 HG2 GLU A 9 -8.368 3.642 -4.464 1.00 0.36 H new ATOM 0 HG3 GLU A 9 -7.775 4.698 -3.197 1.00 0.36 H new ATOM 135 N VAL A 10 -9.465 1.245 -4.569 1.00 0.24 N ATOM 136 CA VAL A 10 -10.197 1.096 -5.788 1.00 0.27 C ATOM 137 C VAL A 10 -10.541 2.448 -6.402 1.00 0.27 C ATOM 138 O VAL A 10 -10.728 2.564 -7.614 1.00 0.35 O ATOM 139 CB VAL A 10 -11.444 0.243 -5.557 1.00 0.31 C ATOM 140 CG1 VAL A 10 -12.211 0.029 -6.854 1.00 0.42 C ATOM 141 CG2 VAL A 10 -11.045 -1.084 -4.923 1.00 0.31 C ATOM 0 H VAL A 10 -10.030 1.527 -3.768 1.00 0.24 H new ATOM 0 HA VAL A 10 -9.563 0.578 -6.507 1.00 0.27 H new ATOM 0 HB VAL A 10 -12.111 0.770 -4.874 1.00 0.31 H new ATOM 0 HG11 VAL A 10 -13.093 -0.581 -6.659 1.00 0.42 H new ATOM 0 HG12 VAL A 10 -12.519 0.993 -7.258 1.00 0.42 H new ATOM 0 HG13 VAL A 10 -11.571 -0.479 -7.576 1.00 0.42 H new ATOM 0 HG21 VAL A 10 -11.935 -1.691 -4.759 1.00 0.31 H new ATOM 0 HG22 VAL A 10 -10.362 -1.614 -5.587 1.00 0.31 H new ATOM 0 HG23 VAL A 10 -10.552 -0.898 -3.969 1.00 0.31 H new ATOM 151 N ASP A 11 -10.591 3.471 -5.560 1.00 0.23 N ATOM 152 CA ASP A 11 -10.887 4.827 -6.013 1.00 0.26 C ATOM 153 C ASP A 11 -10.211 5.869 -5.115 1.00 0.24 C ATOM 154 O ASP A 11 -9.707 6.880 -5.604 1.00 0.28 O ATOM 155 CB ASP A 11 -12.410 5.057 -6.079 1.00 0.31 C ATOM 156 CG ASP A 11 -12.799 6.526 -6.144 1.00 1.76 C ATOM 157 OD1 ASP A 11 -12.664 7.128 -7.230 1.00 2.09 O ATOM 158 OD2 ASP A 11 -13.239 7.070 -5.109 1.00 2.19 O ATOM 0 H ASP A 11 -10.430 3.389 -4.556 1.00 0.23 H new ATOM 0 HA ASP A 11 -10.482 4.944 -7.018 1.00 0.26 H new ATOM 0 HB2 ASP A 11 -12.809 4.544 -6.954 1.00 0.31 H new ATOM 0 HB3 ASP A 11 -12.876 4.604 -5.204 1.00 0.31 H new ATOM 163 N GLU A 12 -10.203 5.623 -3.807 1.00 0.21 N ATOM 164 CA GLU A 12 -9.603 6.571 -2.864 1.00 0.23 C ATOM 165 C GLU A 12 -9.091 5.882 -1.600 1.00 0.23 C ATOM 166 O GLU A 12 -9.473 4.760 -1.302 1.00 0.29 O ATOM 167 CB GLU A 12 -10.619 7.650 -2.489 1.00 0.26 C ATOM 168 CG GLU A 12 -10.954 8.596 -3.631 1.00 0.31 C ATOM 169 CD GLU A 12 -11.931 9.681 -3.221 1.00 1.19 C ATOM 170 OE1 GLU A 12 -13.154 9.442 -3.306 1.00 2.18 O ATOM 171 OE2 GLU A 12 -11.472 10.770 -2.815 1.00 1.09 O ATOM 0 H GLU A 12 -10.599 4.787 -3.377 1.00 0.21 H new ATOM 0 HA GLU A 12 -8.746 7.025 -3.362 1.00 0.23 H new ATOM 0 HB2 GLU A 12 -11.535 7.170 -2.145 1.00 0.26 H new ATOM 0 HB3 GLU A 12 -10.229 8.229 -1.652 1.00 0.26 H new ATOM 0 HG2 GLU A 12 -10.037 9.057 -3.997 1.00 0.31 H new ATOM 0 HG3 GLU A 12 -11.376 8.026 -4.459 1.00 0.31 H new ATOM 178 N ILE A 13 -8.229 6.579 -0.862 1.00 0.22 N ATOM 179 CA ILE A 13 -7.660 6.055 0.384 1.00 0.22 C ATOM 180 C ILE A 13 -7.781 7.110 1.483 1.00 0.27 C ATOM 181 O ILE A 13 -8.478 8.111 1.312 1.00 0.34 O ATOM 182 CB ILE A 13 -6.165 5.676 0.216 1.00 0.20 C ATOM 183 CG1 ILE A 13 -5.342 6.928 -0.104 1.00 0.28 C ATOM 184 CG2 ILE A 13 -6.012 4.655 -0.889 1.00 0.20 C ATOM 185 CD1 ILE A 13 -5.584 7.463 -1.500 1.00 0.34 C ATOM 0 H ILE A 13 -7.906 7.515 -1.106 1.00 0.22 H new ATOM 0 HA ILE A 13 -8.216 5.156 0.651 1.00 0.22 H new ATOM 0 HB ILE A 13 -5.800 5.243 1.148 1.00 0.20 H new ATOM 0 HG12 ILE A 13 -5.579 7.706 0.622 1.00 0.28 H new ATOM 0 HG13 ILE A 13 -4.283 6.697 0.011 1.00 0.28 H new ATOM 0 HG21 ILE A 13 -4.959 4.394 -1.000 1.00 0.20 H new ATOM 0 HG22 ILE A 13 -6.583 3.761 -0.640 1.00 0.20 H new ATOM 0 HG23 ILE A 13 -6.383 5.073 -1.825 1.00 0.20 H new ATOM 0 HD11 ILE A 13 -4.971 8.349 -1.661 1.00 0.34 H new ATOM 0 HD12 ILE A 13 -5.320 6.701 -2.233 1.00 0.34 H new ATOM 0 HD13 ILE A 13 -6.636 7.725 -1.612 1.00 0.34 H new ATOM 197 N VAL A 14 -7.107 6.891 2.607 1.00 0.25 N ATOM 198 CA VAL A 14 -7.140 7.846 3.713 1.00 0.30 C ATOM 199 C VAL A 14 -5.838 7.802 4.507 1.00 0.27 C ATOM 200 O VAL A 14 -5.234 8.838 4.784 1.00 0.30 O ATOM 201 CB VAL A 14 -8.340 7.586 4.657 1.00 0.35 C ATOM 202 CG1 VAL A 14 -8.274 8.483 5.887 1.00 0.61 C ATOM 203 CG2 VAL A 14 -9.651 7.803 3.919 1.00 0.67 C ATOM 0 H VAL A 14 -6.533 6.065 2.778 1.00 0.25 H new ATOM 0 HA VAL A 14 -7.258 8.838 3.277 1.00 0.30 H new ATOM 0 HB VAL A 14 -8.289 6.549 4.989 1.00 0.35 H new ATOM 0 HG11 VAL A 14 -9.129 8.279 6.532 1.00 0.61 H new ATOM 0 HG12 VAL A 14 -7.352 8.285 6.433 1.00 0.61 H new ATOM 0 HG13 VAL A 14 -8.294 9.528 5.577 1.00 0.61 H new ATOM 0 HG21 VAL A 14 -10.485 7.616 4.596 1.00 0.67 H new ATOM 0 HG22 VAL A 14 -9.700 8.830 3.558 1.00 0.67 H new ATOM 0 HG23 VAL A 14 -9.710 7.118 3.073 1.00 0.67 H new ATOM 213 N GLU A 15 -5.415 6.600 4.869 1.00 0.28 N ATOM 214 CA GLU A 15 -4.183 6.419 5.625 1.00 0.27 C ATOM 215 C GLU A 15 -3.039 6.032 4.695 1.00 0.26 C ATOM 216 O GLU A 15 -3.251 5.370 3.684 1.00 0.48 O ATOM 217 CB GLU A 15 -4.372 5.350 6.701 1.00 0.32 C ATOM 218 CG GLU A 15 -3.121 5.081 7.519 1.00 1.30 C ATOM 219 CD GLU A 15 -3.375 4.115 8.659 1.00 1.98 C ATOM 220 OE1 GLU A 15 -3.559 2.911 8.387 1.00 2.96 O ATOM 221 OE2 GLU A 15 -3.396 4.565 9.825 1.00 2.07 O ATOM 0 H GLU A 15 -5.907 5.734 4.651 1.00 0.28 H new ATOM 0 HA GLU A 15 -3.934 7.363 6.109 1.00 0.27 H new ATOM 0 HB2 GLU A 15 -5.174 5.659 7.371 1.00 0.32 H new ATOM 0 HB3 GLU A 15 -4.692 4.422 6.227 1.00 0.32 H new ATOM 0 HG2 GLU A 15 -2.345 4.677 6.869 1.00 1.30 H new ATOM 0 HG3 GLU A 15 -2.743 6.021 7.920 1.00 1.30 H new ATOM 228 N LYS A 16 -1.833 6.481 5.013 1.00 0.20 N ATOM 229 CA LYS A 16 -0.673 6.161 4.187 1.00 0.23 C ATOM 230 C LYS A 16 0.630 6.168 4.998 1.00 0.25 C ATOM 231 O LYS A 16 1.287 7.204 5.102 1.00 0.35 O ATOM 232 CB LYS A 16 -0.567 7.160 3.036 1.00 0.32 C ATOM 233 CG LYS A 16 -0.678 8.612 3.475 1.00 0.41 C ATOM 234 CD LYS A 16 -0.531 9.563 2.298 1.00 0.50 C ATOM 235 CE LYS A 16 -0.901 10.987 2.682 1.00 1.43 C ATOM 236 NZ LYS A 16 -2.342 11.109 3.037 1.00 2.13 N ATOM 0 H LYS A 16 -1.631 7.062 5.827 1.00 0.20 H new ATOM 0 HA LYS A 16 -0.815 5.154 3.796 1.00 0.23 H new ATOM 0 HB2 LYS A 16 0.386 7.015 2.527 1.00 0.32 H new ATOM 0 HB3 LYS A 16 -1.351 6.948 2.309 1.00 0.32 H new ATOM 0 HG2 LYS A 16 -1.642 8.775 3.957 1.00 0.41 H new ATOM 0 HG3 LYS A 16 0.090 8.829 4.217 1.00 0.41 H new ATOM 0 HD2 LYS A 16 0.497 9.538 1.935 1.00 0.50 H new ATOM 0 HD3 LYS A 16 -1.167 9.229 1.478 1.00 0.50 H new ATOM 0 HE2 LYS A 16 -0.291 11.306 3.527 1.00 1.43 H new ATOM 0 HE3 LYS A 16 -0.673 11.657 1.853 1.00 1.43 H new ATOM 0 HZ1 LYS A 16 -2.635 12.104 2.962 1.00 2.13 H new ATOM 0 HZ2 LYS A 16 -2.910 10.531 2.386 1.00 2.13 H new ATOM 0 HZ3 LYS A 16 -2.489 10.778 4.012 1.00 2.13 H new ATOM 250 N ARG A 17 1.005 5.025 5.572 1.00 0.22 N ATOM 251 CA ARG A 17 2.231 4.947 6.372 1.00 0.31 C ATOM 252 C ARG A 17 2.783 3.525 6.394 1.00 0.30 C ATOM 253 O ARG A 17 2.458 2.754 7.297 1.00 0.33 O ATOM 254 CB ARG A 17 1.956 5.413 7.800 1.00 0.41 C ATOM 255 CG ARG A 17 3.183 5.385 8.695 1.00 1.20 C ATOM 256 CD ARG A 17 2.805 5.548 10.158 1.00 1.68 C ATOM 257 NE ARG A 17 2.235 6.862 10.434 1.00 2.30 N ATOM 258 CZ ARG A 17 1.964 7.304 11.657 1.00 3.07 C ATOM 259 NH1 ARG A 17 2.209 6.537 12.711 1.00 3.46 N ATOM 260 NH2 ARG A 17 1.446 8.512 11.827 1.00 3.83 N ATOM 0 H ARG A 17 0.486 4.150 5.501 1.00 0.22 H new ATOM 0 HA ARG A 17 2.975 5.599 5.913 1.00 0.31 H new ATOM 0 HB2 ARG A 17 1.560 6.428 7.772 1.00 0.41 H new ATOM 0 HB3 ARG A 17 1.183 4.781 8.237 1.00 0.41 H new ATOM 0 HG2 ARG A 17 3.714 4.443 8.558 1.00 1.20 H new ATOM 0 HG3 ARG A 17 3.867 6.182 8.403 1.00 1.20 H new ATOM 0 HD2 ARG A 17 2.087 4.776 10.435 1.00 1.68 H new ATOM 0 HD3 ARG A 17 3.688 5.399 10.779 1.00 1.68 H new ATOM 0 HE ARG A 17 2.033 7.475 9.644 1.00 2.30 H new ATOM 0 HH11 ARG A 17 2.606 5.606 12.583 1.00 3.46 H new ATOM 0 HH12 ARG A 17 2.000 6.878 13.649 1.00 3.46 H new ATOM 0 HH21 ARG A 17 1.255 9.103 11.018 1.00 3.83 H new ATOM 0 HH22 ARG A 17 1.238 8.850 12.767 1.00 3.83 H new ATOM 274 N GLY A 18 3.612 3.162 5.417 1.00 0.29 N ATOM 275 CA GLY A 18 4.127 1.808 5.401 1.00 0.28 C ATOM 276 C GLY A 18 5.477 1.643 4.738 1.00 0.32 C ATOM 277 O GLY A 18 6.390 2.446 4.932 1.00 0.41 O ATOM 0 H GLY A 18 3.928 3.764 4.657 1.00 0.29 H new ATOM 0 HA2 GLY A 18 4.198 1.451 6.428 1.00 0.28 H new ATOM 0 HA3 GLY A 18 3.408 1.168 4.890 1.00 0.28 H new ATOM 281 N LYS A 19 5.583 0.573 3.953 1.00 0.30 N ATOM 282 CA LYS A 19 6.801 0.220 3.250 1.00 0.36 C ATOM 283 C LYS A 19 6.583 0.300 1.732 1.00 0.45 C ATOM 284 O LYS A 19 6.219 1.341 1.220 1.00 0.76 O ATOM 285 CB LYS A 19 7.179 -1.181 3.692 1.00 0.29 C ATOM 286 CG LYS A 19 7.602 -1.257 5.143 1.00 0.37 C ATOM 287 CD LYS A 19 7.965 -2.675 5.512 1.00 0.33 C ATOM 288 CE LYS A 19 8.438 -2.771 6.954 1.00 0.51 C ATOM 289 NZ LYS A 19 9.694 -2.003 7.182 1.00 1.13 N ATOM 0 H LYS A 19 4.814 -0.076 3.789 1.00 0.30 H new ATOM 0 HA LYS A 19 7.609 0.913 3.484 1.00 0.36 H new ATOM 0 HB2 LYS A 19 6.330 -1.846 3.533 1.00 0.29 H new ATOM 0 HB3 LYS A 19 7.992 -1.546 3.064 1.00 0.29 H new ATOM 0 HG2 LYS A 19 8.455 -0.600 5.315 1.00 0.37 H new ATOM 0 HG3 LYS A 19 6.794 -0.904 5.783 1.00 0.37 H new ATOM 0 HD2 LYS A 19 7.100 -3.323 5.368 1.00 0.33 H new ATOM 0 HD3 LYS A 19 8.749 -3.036 4.846 1.00 0.33 H new ATOM 0 HE2 LYS A 19 7.658 -2.396 7.617 1.00 0.51 H new ATOM 0 HE3 LYS A 19 8.601 -3.817 7.213 1.00 0.51 H new ATOM 0 HZ1 LYS A 19 10.100 -2.267 8.102 1.00 1.13 H new ATOM 0 HZ2 LYS A 19 10.376 -2.221 6.427 1.00 1.13 H new ATOM 0 HZ3 LYS A 19 9.484 -0.984 7.176 1.00 1.13 H new ATOM 303 N GLY A 20 6.809 -0.786 1.005 1.00 0.47 N ATOM 304 CA GLY A 20 6.574 -0.772 -0.413 1.00 0.51 C ATOM 305 C GLY A 20 5.163 -1.198 -0.652 1.00 0.42 C ATOM 306 O GLY A 20 4.442 -0.646 -1.481 1.00 0.48 O ATOM 0 H GLY A 20 7.150 -1.672 1.377 1.00 0.47 H new ATOM 0 HA2 GLY A 20 6.744 0.226 -0.817 1.00 0.51 H new ATOM 0 HA3 GLY A 20 7.266 -1.444 -0.920 1.00 0.51 H new ATOM 310 N LYS A 21 4.796 -2.213 0.104 1.00 0.33 N ATOM 311 CA LYS A 21 3.460 -2.762 0.087 1.00 0.33 C ATOM 312 C LYS A 21 3.008 -3.136 1.510 1.00 0.27 C ATOM 313 O LYS A 21 1.943 -3.723 1.687 1.00 0.32 O ATOM 314 CB LYS A 21 3.405 -3.976 -0.838 1.00 0.46 C ATOM 315 CG LYS A 21 3.683 -3.636 -2.296 1.00 0.88 C ATOM 316 CD LYS A 21 5.153 -3.803 -2.641 1.00 1.58 C ATOM 317 CE LYS A 21 5.390 -3.654 -4.136 1.00 2.52 C ATOM 318 NZ LYS A 21 4.862 -2.363 -4.656 1.00 3.41 N ATOM 0 H LYS A 21 5.426 -2.683 0.754 1.00 0.33 H new ATOM 0 HA LYS A 21 2.775 -2.005 -0.294 1.00 0.33 H new ATOM 0 HB2 LYS A 21 4.131 -4.715 -0.500 1.00 0.46 H new ATOM 0 HB3 LYS A 21 2.421 -4.438 -0.761 1.00 0.46 H new ATOM 0 HG2 LYS A 21 3.083 -4.278 -2.940 1.00 0.88 H new ATOM 0 HG3 LYS A 21 3.377 -2.609 -2.495 1.00 0.88 H new ATOM 0 HD2 LYS A 21 5.742 -3.061 -2.102 1.00 1.58 H new ATOM 0 HD3 LYS A 21 5.497 -4.784 -2.312 1.00 1.58 H new ATOM 0 HE2 LYS A 21 6.458 -3.719 -4.342 1.00 2.52 H new ATOM 0 HE3 LYS A 21 4.913 -4.480 -4.663 1.00 2.52 H new ATOM 0 HZ1 LYS A 21 4.011 -2.541 -5.226 1.00 3.41 H new ATOM 0 HZ2 LYS A 21 4.621 -1.740 -3.859 1.00 3.41 H new ATOM 0 HZ3 LYS A 21 5.585 -1.905 -5.247 1.00 3.41 H new ATOM 332 N ASP A 22 3.813 -2.772 2.525 1.00 0.21 N ATOM 333 CA ASP A 22 3.487 -3.065 3.913 1.00 0.23 C ATOM 334 C ASP A 22 2.658 -1.955 4.524 1.00 0.21 C ATOM 335 O ASP A 22 2.447 -1.918 5.734 1.00 0.26 O ATOM 336 CB ASP A 22 4.748 -3.228 4.758 1.00 0.26 C ATOM 337 CG ASP A 22 4.477 -3.950 6.065 1.00 0.34 C ATOM 338 OD1 ASP A 22 3.291 -4.187 6.373 1.00 0.94 O ATOM 339 OD2 ASP A 22 5.447 -4.266 6.785 1.00 1.22 O ATOM 0 H ASP A 22 4.694 -2.274 2.398 1.00 0.21 H new ATOM 0 HA ASP A 22 2.921 -3.997 3.909 1.00 0.23 H new ATOM 0 HB2 ASP A 22 5.495 -3.781 4.188 1.00 0.26 H new ATOM 0 HB3 ASP A 22 5.171 -2.246 4.969 1.00 0.26 H new ATOM 344 N VAL A 23 2.204 -1.050 3.690 1.00 0.17 N ATOM 345 CA VAL A 23 1.411 0.056 4.145 1.00 0.18 C ATOM 346 C VAL A 23 -0.061 -0.296 4.177 1.00 0.16 C ATOM 347 O VAL A 23 -0.546 -1.084 3.365 1.00 0.18 O ATOM 348 CB VAL A 23 1.636 1.279 3.255 1.00 0.20 C ATOM 349 CG1 VAL A 23 0.868 1.170 1.945 1.00 0.34 C ATOM 350 CG2 VAL A 23 1.244 2.535 3.991 1.00 0.23 C ATOM 0 H VAL A 23 2.375 -1.063 2.684 1.00 0.17 H new ATOM 0 HA VAL A 23 1.727 0.292 5.161 1.00 0.18 H new ATOM 0 HB VAL A 23 2.697 1.324 3.011 1.00 0.20 H new ATOM 0 HG11 VAL A 23 1.053 2.057 1.340 1.00 0.34 H new ATOM 0 HG12 VAL A 23 1.199 0.285 1.402 1.00 0.34 H new ATOM 0 HG13 VAL A 23 -0.199 1.090 2.154 1.00 0.34 H new ATOM 0 HG21 VAL A 23 1.408 3.400 3.348 1.00 0.23 H new ATOM 0 HG22 VAL A 23 0.191 2.482 4.266 1.00 0.23 H new ATOM 0 HG23 VAL A 23 1.849 2.633 4.892 1.00 0.23 H new ATOM 360 N GLU A 24 -0.769 0.325 5.086 1.00 0.18 N ATOM 361 CA GLU A 24 -2.186 0.070 5.226 1.00 0.22 C ATOM 362 C GLU A 24 -2.989 1.300 4.823 1.00 0.24 C ATOM 363 O GLU A 24 -3.240 2.186 5.639 1.00 0.48 O ATOM 364 CB GLU A 24 -2.532 -0.324 6.659 1.00 0.34 C ATOM 365 CG GLU A 24 -1.801 0.496 7.710 1.00 0.45 C ATOM 366 CD GLU A 24 -2.133 0.060 9.124 1.00 0.86 C ATOM 367 OE1 GLU A 24 -1.486 -0.886 9.621 1.00 1.26 O ATOM 368 OE2 GLU A 24 -3.039 0.664 9.736 1.00 1.22 O ATOM 0 H GLU A 24 -0.391 1.010 5.741 1.00 0.18 H new ATOM 0 HA GLU A 24 -2.444 -0.759 4.566 1.00 0.22 H new ATOM 0 HB2 GLU A 24 -3.606 -0.215 6.808 1.00 0.34 H new ATOM 0 HB3 GLU A 24 -2.296 -1.378 6.804 1.00 0.34 H new ATOM 0 HG2 GLU A 24 -0.726 0.410 7.550 1.00 0.45 H new ATOM 0 HG3 GLU A 24 -2.058 1.548 7.588 1.00 0.45 H new ATOM 375 N TYR A 25 -3.390 1.346 3.562 1.00 0.18 N ATOM 376 CA TYR A 25 -4.164 2.453 3.045 1.00 0.22 C ATOM 377 C TYR A 25 -5.645 2.178 3.268 1.00 0.30 C ATOM 378 O TYR A 25 -6.005 1.292 4.034 1.00 0.65 O ATOM 379 CB TYR A 25 -3.867 2.632 1.555 1.00 0.23 C ATOM 380 CG TYR A 25 -2.696 3.549 1.295 1.00 0.21 C ATOM 381 CD1 TYR A 25 -1.459 3.298 1.864 1.00 0.34 C ATOM 382 CD2 TYR A 25 -2.831 4.671 0.493 1.00 0.27 C ATOM 383 CE1 TYR A 25 -0.389 4.138 1.636 1.00 0.38 C ATOM 384 CE2 TYR A 25 -1.762 5.518 0.261 1.00 0.25 C ATOM 385 CZ TYR A 25 -0.543 5.244 0.833 1.00 0.25 C ATOM 386 OH TYR A 25 0.526 6.080 0.601 1.00 0.30 O ATOM 0 H TYR A 25 -3.187 0.619 2.875 1.00 0.18 H new ATOM 0 HA TYR A 25 -3.894 3.372 3.566 1.00 0.22 H new ATOM 0 HB2 TYR A 25 -3.665 1.658 1.110 1.00 0.23 H new ATOM 0 HB3 TYR A 25 -4.752 3.031 1.059 1.00 0.23 H new ATOM 0 HD1 TYR A 25 -1.330 2.432 2.496 1.00 0.34 H new ATOM 0 HD2 TYR A 25 -3.788 4.888 0.041 1.00 0.27 H new ATOM 0 HE1 TYR A 25 0.569 3.927 2.088 1.00 0.38 H new ATOM 0 HE2 TYR A 25 -1.885 6.389 -0.366 1.00 0.25 H new ATOM 0 HH TYR A 25 1.327 5.715 1.032 1.00 0.30 H new ATOM 396 N LEU A 26 -6.496 2.963 2.637 1.00 0.19 N ATOM 397 CA LEU A 26 -7.930 2.767 2.729 1.00 0.19 C ATOM 398 C LEU A 26 -8.481 2.675 1.326 1.00 0.17 C ATOM 399 O LEU A 26 -7.817 3.082 0.374 1.00 0.17 O ATOM 400 CB LEU A 26 -8.603 3.909 3.498 1.00 0.20 C ATOM 401 CG LEU A 26 -10.126 3.777 3.635 1.00 0.29 C ATOM 402 CD1 LEU A 26 -10.489 2.686 4.622 1.00 0.88 C ATOM 403 CD2 LEU A 26 -10.751 5.098 4.051 1.00 0.96 C ATOM 0 H LEU A 26 -6.216 3.749 2.050 1.00 0.19 H new ATOM 0 HA LEU A 26 -8.137 1.849 3.279 1.00 0.19 H new ATOM 0 HB2 LEU A 26 -8.165 3.966 4.495 1.00 0.20 H new ATOM 0 HB3 LEU A 26 -8.377 4.850 2.997 1.00 0.20 H new ATOM 0 HG LEU A 26 -10.525 3.502 2.659 1.00 0.29 H new ATOM 0 HD11 LEU A 26 -11.574 2.613 4.701 1.00 0.88 H new ATOM 0 HD12 LEU A 26 -10.085 1.734 4.277 1.00 0.88 H new ATOM 0 HD13 LEU A 26 -10.070 2.925 5.599 1.00 0.88 H new ATOM 0 HD21 LEU A 26 -11.831 4.977 4.141 1.00 0.96 H new ATOM 0 HD22 LEU A 26 -10.339 5.409 5.011 1.00 0.96 H new ATOM 0 HD23 LEU A 26 -10.532 5.857 3.300 1.00 0.96 H new ATOM 415 N VAL A 27 -9.667 2.119 1.168 1.00 0.18 N ATOM 416 CA VAL A 27 -10.215 2.012 -0.160 1.00 0.18 C ATOM 417 C VAL A 27 -11.701 2.317 -0.229 1.00 0.18 C ATOM 418 O VAL A 27 -12.537 1.576 0.289 1.00 0.22 O ATOM 419 CB VAL A 27 -9.895 0.647 -0.823 1.00 0.24 C ATOM 420 CG1 VAL A 27 -8.628 0.035 -0.236 1.00 0.40 C ATOM 421 CG2 VAL A 27 -11.044 -0.356 -0.748 1.00 0.36 C ATOM 0 H VAL A 27 -10.249 1.747 1.918 1.00 0.18 H new ATOM 0 HA VAL A 27 -9.712 2.789 -0.736 1.00 0.18 H new ATOM 0 HB VAL A 27 -9.738 0.865 -1.879 1.00 0.24 H new ATOM 0 HG11 VAL A 27 -8.428 -0.921 -0.719 1.00 0.40 H new ATOM 0 HG12 VAL A 27 -7.788 0.709 -0.403 1.00 0.40 H new ATOM 0 HG13 VAL A 27 -8.761 -0.121 0.835 1.00 0.40 H new ATOM 0 HG21 VAL A 27 -10.747 -1.286 -1.232 1.00 0.36 H new ATOM 0 HG22 VAL A 27 -11.288 -0.552 0.296 1.00 0.36 H new ATOM 0 HG23 VAL A 27 -11.918 0.053 -1.254 1.00 0.36 H new ATOM 431 N ARG A 28 -12.013 3.437 -0.853 1.00 0.16 N ATOM 432 CA ARG A 28 -13.387 3.799 -1.077 1.00 0.18 C ATOM 433 C ARG A 28 -13.789 3.099 -2.336 1.00 0.16 C ATOM 434 O ARG A 28 -13.902 3.711 -3.399 1.00 0.20 O ATOM 435 CB ARG A 28 -13.563 5.302 -1.227 1.00 0.21 C ATOM 436 CG ARG A 28 -12.682 6.117 -0.292 1.00 1.14 C ATOM 437 CD ARG A 28 -13.074 7.586 -0.292 1.00 1.22 C ATOM 438 NE ARG A 28 -12.139 8.400 0.477 1.00 1.99 N ATOM 439 CZ ARG A 28 -12.372 9.663 0.821 1.00 2.29 C ATOM 440 NH1 ARG A 28 -13.508 10.248 0.470 1.00 2.04 N ATOM 441 NH2 ARG A 28 -11.468 10.339 1.517 1.00 3.27 N ATOM 0 H ARG A 28 -11.331 4.106 -1.210 1.00 0.16 H new ATOM 0 HA ARG A 28 -14.005 3.508 -0.227 1.00 0.18 H new ATOM 0 HB2 ARG A 28 -13.343 5.584 -2.257 1.00 0.21 H new ATOM 0 HB3 ARG A 28 -14.607 5.557 -1.043 1.00 0.21 H new ATOM 0 HG2 ARG A 28 -12.759 5.719 0.720 1.00 1.14 H new ATOM 0 HG3 ARG A 28 -11.640 6.018 -0.595 1.00 1.14 H new ATOM 0 HD2 ARG A 28 -13.114 7.951 -1.318 1.00 1.22 H new ATOM 0 HD3 ARG A 28 -14.076 7.694 0.124 1.00 1.22 H new ATOM 0 HE ARG A 28 -11.257 7.977 0.767 1.00 1.99 H new ATOM 0 HH11 ARG A 28 -14.205 9.729 -0.065 1.00 2.04 H new ATOM 0 HH12 ARG A 28 -13.686 11.217 0.734 1.00 2.04 H new ATOM 0 HH21 ARG A 28 -10.593 9.890 1.789 1.00 3.27 H new ATOM 0 HH22 ARG A 28 -11.647 11.308 1.781 1.00 3.27 H new ATOM 455 N TRP A 29 -13.976 1.790 -2.188 1.00 0.19 N ATOM 456 CA TRP A 29 -14.329 0.893 -3.278 1.00 0.25 C ATOM 457 C TRP A 29 -15.071 1.615 -4.384 1.00 0.25 C ATOM 458 O TRP A 29 -16.286 1.776 -4.332 1.00 0.30 O ATOM 459 CB TRP A 29 -15.197 -0.227 -2.724 1.00 0.34 C ATOM 460 CG TRP A 29 -15.082 -1.510 -3.490 1.00 0.44 C ATOM 461 CD1 TRP A 29 -14.246 -1.762 -4.537 1.00 0.61 C ATOM 462 CD2 TRP A 29 -15.828 -2.713 -3.271 1.00 0.67 C ATOM 463 NE1 TRP A 29 -14.427 -3.048 -4.986 1.00 0.93 N ATOM 464 CE2 TRP A 29 -15.393 -3.652 -4.224 1.00 0.98 C ATOM 465 CE3 TRP A 29 -16.821 -3.086 -2.362 1.00 0.71 C ATOM 466 CZ2 TRP A 29 -15.916 -4.942 -4.294 1.00 1.30 C ATOM 467 CZ3 TRP A 29 -17.341 -4.367 -2.431 1.00 1.02 C ATOM 468 CH2 TRP A 29 -16.888 -5.280 -3.391 1.00 1.31 C ATOM 0 H TRP A 29 -13.884 1.317 -1.289 1.00 0.19 H new ATOM 0 HA TRP A 29 -13.411 0.492 -3.708 1.00 0.25 H new ATOM 0 HB2 TRP A 29 -14.922 -0.408 -1.685 1.00 0.34 H new ATOM 0 HB3 TRP A 29 -16.238 0.096 -2.727 1.00 0.34 H new ATOM 0 HD1 TRP A 29 -13.544 -1.054 -4.953 1.00 0.61 H new ATOM 0 HE1 TRP A 29 -13.924 -3.482 -5.760 1.00 0.93 H new ATOM 0 HE3 TRP A 29 -17.177 -2.388 -1.619 1.00 0.71 H new ATOM 0 HZ2 TRP A 29 -15.568 -5.648 -5.033 1.00 1.30 H new ATOM 0 HZ3 TRP A 29 -18.109 -4.667 -1.733 1.00 1.02 H new ATOM 0 HH2 TRP A 29 -17.314 -6.272 -3.420 1.00 1.31 H new ATOM 479 N LYS A 30 -14.285 2.111 -5.341 1.00 0.25 N ATOM 480 CA LYS A 30 -14.807 2.828 -6.519 1.00 0.30 C ATOM 481 C LYS A 30 -16.229 2.387 -6.887 1.00 0.36 C ATOM 482 O LYS A 30 -17.052 3.198 -7.309 1.00 0.42 O ATOM 483 CB LYS A 30 -13.895 2.584 -7.718 1.00 0.35 C ATOM 484 CG LYS A 30 -14.165 3.517 -8.887 1.00 0.69 C ATOM 485 CD LYS A 30 -13.154 3.317 -10.003 1.00 1.11 C ATOM 486 CE LYS A 30 -13.367 4.312 -11.132 1.00 1.70 C ATOM 487 NZ LYS A 30 -12.358 4.149 -12.215 1.00 2.46 N ATOM 0 H LYS A 30 -13.268 2.030 -5.327 1.00 0.25 H new ATOM 0 HA LYS A 30 -14.835 3.887 -6.262 1.00 0.30 H new ATOM 0 HB2 LYS A 30 -12.857 2.699 -7.404 1.00 0.35 H new ATOM 0 HB3 LYS A 30 -14.015 1.553 -8.051 1.00 0.35 H new ATOM 0 HG2 LYS A 30 -15.170 3.341 -9.270 1.00 0.69 H new ATOM 0 HG3 LYS A 30 -14.131 4.551 -8.544 1.00 0.69 H new ATOM 0 HD2 LYS A 30 -12.145 3.427 -9.605 1.00 1.11 H new ATOM 0 HD3 LYS A 30 -13.235 2.302 -10.391 1.00 1.11 H new ATOM 0 HE2 LYS A 30 -14.367 4.183 -11.546 1.00 1.70 H new ATOM 0 HE3 LYS A 30 -13.314 5.326 -10.736 1.00 1.70 H new ATOM 0 HZ1 LYS A 30 -12.538 4.846 -12.965 1.00 2.46 H new ATOM 0 HZ2 LYS A 30 -11.405 4.297 -11.827 1.00 2.46 H new ATOM 0 HZ3 LYS A 30 -12.425 3.189 -12.611 1.00 2.46 H new ATOM 501 N ASP A 31 -16.498 1.094 -6.734 1.00 0.39 N ATOM 502 CA ASP A 31 -17.817 0.540 -7.020 1.00 0.48 C ATOM 503 C ASP A 31 -18.394 -0.099 -5.759 1.00 0.45 C ATOM 504 O ASP A 31 -18.742 -1.281 -5.748 1.00 0.52 O ATOM 505 CB ASP A 31 -17.731 -0.495 -8.144 1.00 0.59 C ATOM 506 CG ASP A 31 -16.848 -1.672 -7.781 1.00 1.31 C ATOM 507 OD1 ASP A 31 -15.629 -1.604 -8.048 1.00 1.92 O ATOM 508 OD2 ASP A 31 -17.373 -2.660 -7.227 1.00 2.02 O ATOM 0 H ASP A 31 -15.816 0.407 -6.412 1.00 0.39 H new ATOM 0 HA ASP A 31 -18.474 1.347 -7.344 1.00 0.48 H new ATOM 0 HB2 ASP A 31 -18.732 -0.855 -8.380 1.00 0.59 H new ATOM 0 HB3 ASP A 31 -17.344 -0.018 -9.044 1.00 0.59 H new ATOM 513 N GLY A 32 -18.492 0.700 -4.699 1.00 0.39 N ATOM 514 CA GLY A 32 -19.001 0.211 -3.431 1.00 0.40 C ATOM 515 C GLY A 32 -19.731 1.281 -2.644 1.00 0.42 C ATOM 516 O GLY A 32 -19.876 2.414 -3.104 1.00 0.59 O ATOM 0 H GLY A 32 -18.225 1.685 -4.698 1.00 0.39 H new ATOM 0 HA2 GLY A 32 -19.676 -0.625 -3.613 1.00 0.40 H new ATOM 0 HA3 GLY A 32 -18.173 -0.172 -2.835 1.00 0.40 H new ATOM 520 N GLY A 33 -20.191 0.918 -1.451 1.00 0.43 N ATOM 521 CA GLY A 33 -20.897 1.863 -0.607 1.00 0.48 C ATOM 522 C GLY A 33 -20.147 2.171 0.677 1.00 0.46 C ATOM 523 O GLY A 33 -20.479 3.125 1.382 1.00 0.86 O ATOM 0 H GLY A 33 -20.087 -0.016 -1.054 1.00 0.43 H new ATOM 0 HA2 GLY A 33 -21.059 2.788 -1.160 1.00 0.48 H new ATOM 0 HA3 GLY A 33 -21.880 1.462 -0.362 1.00 0.48 H new ATOM 527 N ASP A 34 -19.133 1.364 0.984 1.00 0.45 N ATOM 528 CA ASP A 34 -18.339 1.558 2.191 1.00 0.40 C ATOM 529 C ASP A 34 -16.853 1.633 1.858 1.00 0.38 C ATOM 530 O ASP A 34 -16.425 1.222 0.779 1.00 0.62 O ATOM 531 CB ASP A 34 -18.596 0.422 3.183 1.00 0.55 C ATOM 532 CG ASP A 34 -17.743 0.541 4.431 1.00 1.31 C ATOM 533 OD1 ASP A 34 -18.145 1.276 5.356 1.00 1.40 O ATOM 534 OD2 ASP A 34 -16.674 -0.103 4.483 1.00 2.13 O ATOM 0 H ASP A 34 -18.844 0.570 0.412 1.00 0.45 H new ATOM 0 HA ASP A 34 -18.638 2.502 2.646 1.00 0.40 H new ATOM 0 HB2 ASP A 34 -19.649 0.420 3.465 1.00 0.55 H new ATOM 0 HB3 ASP A 34 -18.394 -0.533 2.698 1.00 0.55 H new ATOM 539 N CYS A 35 -16.069 2.158 2.793 1.00 0.40 N ATOM 540 CA CYS A 35 -14.630 2.287 2.602 1.00 0.44 C ATOM 541 C CYS A 35 -13.874 1.430 3.609 1.00 0.39 C ATOM 542 O CYS A 35 -13.989 1.632 4.818 1.00 0.61 O ATOM 543 CB CYS A 35 -14.207 3.750 2.744 1.00 0.72 C ATOM 544 SG CYS A 35 -15.073 4.880 1.627 1.00 1.60 S ATOM 0 H CYS A 35 -16.407 2.502 3.692 1.00 0.40 H new ATOM 0 HA CYS A 35 -14.387 1.940 1.598 1.00 0.44 H new ATOM 0 HB2 CYS A 35 -14.379 4.069 3.772 1.00 0.72 H new ATOM 0 HB3 CYS A 35 -13.135 3.827 2.562 1.00 0.72 H new ATOM 0 HG CYS A 35 -14.649 6.093 1.823 1.00 1.60 H new ATOM 550 N GLU A 36 -13.101 0.472 3.109 1.00 0.32 N ATOM 551 CA GLU A 36 -12.337 -0.414 3.977 1.00 0.43 C ATOM 552 C GLU A 36 -10.845 -0.117 3.911 1.00 0.34 C ATOM 553 O GLU A 36 -10.368 0.544 2.993 1.00 0.36 O ATOM 554 CB GLU A 36 -12.578 -1.869 3.603 1.00 0.63 C ATOM 555 CG GLU A 36 -13.895 -2.422 4.123 1.00 1.20 C ATOM 556 CD GLU A 36 -14.167 -3.832 3.638 1.00 1.70 C ATOM 557 OE1 GLU A 36 -13.493 -4.766 4.120 1.00 2.22 O ATOM 558 OE2 GLU A 36 -15.052 -4.001 2.772 1.00 2.27 O ATOM 0 H GLU A 36 -12.988 0.290 2.112 1.00 0.32 H new ATOM 0 HA GLU A 36 -12.679 -0.238 4.997 1.00 0.43 H new ATOM 0 HB2 GLU A 36 -12.557 -1.964 2.517 1.00 0.63 H new ATOM 0 HB3 GLU A 36 -11.760 -2.476 3.992 1.00 0.63 H new ATOM 0 HG2 GLU A 36 -13.884 -2.412 5.213 1.00 1.20 H new ATOM 0 HG3 GLU A 36 -14.709 -1.770 3.807 1.00 1.20 H new ATOM 565 N TRP A 37 -10.119 -0.632 4.895 1.00 0.40 N ATOM 566 CA TRP A 37 -8.677 -0.436 4.991 1.00 0.33 C ATOM 567 C TRP A 37 -7.905 -1.497 4.222 1.00 0.35 C ATOM 568 O TRP A 37 -8.337 -2.643 4.102 1.00 0.46 O ATOM 569 CB TRP A 37 -8.241 -0.472 6.458 1.00 0.38 C ATOM 570 CG TRP A 37 -8.605 0.763 7.219 1.00 0.39 C ATOM 571 CD1 TRP A 37 -8.594 2.038 6.745 1.00 0.45 C ATOM 572 CD2 TRP A 37 -9.022 0.845 8.588 1.00 0.46 C ATOM 573 NE1 TRP A 37 -8.985 2.913 7.729 1.00 0.51 N ATOM 574 CE2 TRP A 37 -9.253 2.204 8.870 1.00 0.50 C ATOM 575 CE3 TRP A 37 -9.228 -0.098 9.600 1.00 0.58 C ATOM 576 CZ2 TRP A 37 -9.676 2.643 10.122 1.00 0.61 C ATOM 577 CZ3 TRP A 37 -9.647 0.338 10.842 1.00 0.71 C ATOM 578 CH2 TRP A 37 -9.868 1.699 11.094 1.00 0.70 C ATOM 0 H TRP A 37 -10.512 -1.197 5.648 1.00 0.40 H new ATOM 0 HA TRP A 37 -8.454 0.536 4.551 1.00 0.33 H new ATOM 0 HB2 TRP A 37 -8.696 -1.335 6.943 1.00 0.38 H new ATOM 0 HB3 TRP A 37 -7.161 -0.613 6.505 1.00 0.38 H new ATOM 0 HD1 TRP A 37 -8.318 2.321 5.740 1.00 0.45 H new ATOM 0 HE1 TRP A 37 -9.063 3.925 7.627 1.00 0.51 H new ATOM 0 HE3 TRP A 37 -9.062 -1.149 9.414 1.00 0.58 H new ATOM 0 HZ2 TRP A 37 -9.846 3.691 10.319 1.00 0.61 H new ATOM 0 HZ3 TRP A 37 -9.807 -0.381 11.632 1.00 0.71 H new ATOM 0 HH2 TRP A 37 -10.196 2.009 12.075 1.00 0.70 H new ATOM 589 N VAL A 38 -6.752 -1.088 3.704 1.00 0.28 N ATOM 590 CA VAL A 38 -5.874 -1.978 2.963 1.00 0.37 C ATOM 591 C VAL A 38 -4.930 -2.690 3.926 1.00 0.36 C ATOM 592 O VAL A 38 -4.744 -2.255 5.062 1.00 0.31 O ATOM 593 CB VAL A 38 -5.065 -1.191 1.904 1.00 0.41 C ATOM 594 CG1 VAL A 38 -3.909 -2.011 1.340 1.00 0.65 C ATOM 595 CG2 VAL A 38 -5.979 -0.718 0.786 1.00 0.46 C ATOM 0 H VAL A 38 -6.403 -0.133 3.787 1.00 0.28 H new ATOM 0 HA VAL A 38 -6.483 -2.719 2.445 1.00 0.37 H new ATOM 0 HB VAL A 38 -4.632 -0.323 2.402 1.00 0.41 H new ATOM 0 HG11 VAL A 38 -3.369 -1.419 0.601 1.00 0.65 H new ATOM 0 HG12 VAL A 38 -3.231 -2.288 2.148 1.00 0.65 H new ATOM 0 HG13 VAL A 38 -4.299 -2.913 0.868 1.00 0.65 H new ATOM 0 HG21 VAL A 38 -5.396 -0.166 0.049 1.00 0.46 H new ATOM 0 HG22 VAL A 38 -6.446 -1.580 0.309 1.00 0.46 H new ATOM 0 HG23 VAL A 38 -6.752 -0.069 1.198 1.00 0.46 H new ATOM 605 N LYS A 39 -4.338 -3.783 3.466 1.00 0.46 N ATOM 606 CA LYS A 39 -3.438 -4.561 4.301 1.00 0.48 C ATOM 607 C LYS A 39 -2.041 -3.962 4.364 1.00 0.38 C ATOM 608 O LYS A 39 -1.272 -4.033 3.407 1.00 0.45 O ATOM 609 CB LYS A 39 -3.369 -6.007 3.806 1.00 0.63 C ATOM 610 CG LYS A 39 -2.427 -6.886 4.614 1.00 0.67 C ATOM 611 CD LYS A 39 -2.377 -8.301 4.060 1.00 1.09 C ATOM 612 CE LYS A 39 -1.438 -9.184 4.866 1.00 1.61 C ATOM 613 NZ LYS A 39 -1.362 -10.564 4.314 1.00 2.32 N ATOM 0 H LYS A 39 -4.465 -4.149 2.522 1.00 0.46 H new ATOM 0 HA LYS A 39 -3.844 -4.542 5.312 1.00 0.48 H new ATOM 0 HB2 LYS A 39 -4.369 -6.439 3.834 1.00 0.63 H new ATOM 0 HB3 LYS A 39 -3.050 -6.010 2.764 1.00 0.63 H new ATOM 0 HG2 LYS A 39 -1.426 -6.454 4.605 1.00 0.67 H new ATOM 0 HG3 LYS A 39 -2.753 -6.912 5.654 1.00 0.67 H new ATOM 0 HD2 LYS A 39 -3.378 -8.731 4.068 1.00 1.09 H new ATOM 0 HD3 LYS A 39 -2.050 -8.274 3.021 1.00 1.09 H new ATOM 0 HE2 LYS A 39 -0.442 -8.741 4.875 1.00 1.61 H new ATOM 0 HE3 LYS A 39 -1.778 -9.225 5.901 1.00 1.61 H new ATOM 0 HZ1 LYS A 39 -0.712 -11.134 4.892 1.00 2.32 H new ATOM 0 HZ2 LYS A 39 -2.308 -10.996 4.329 1.00 2.32 H new ATOM 0 HZ3 LYS A 39 -1.013 -10.528 3.335 1.00 2.32 H new ATOM 627 N GLY A 40 -1.727 -3.373 5.513 1.00 0.32 N ATOM 628 CA GLY A 40 -0.419 -2.785 5.716 1.00 0.27 C ATOM 629 C GLY A 40 0.504 -3.692 6.492 1.00 0.28 C ATOM 630 O GLY A 40 1.259 -3.245 7.355 1.00 0.35 O ATOM 0 H GLY A 40 -2.359 -3.293 6.309 1.00 0.32 H new ATOM 0 HA2 GLY A 40 0.028 -2.557 4.748 1.00 0.27 H new ATOM 0 HA3 GLY A 40 -0.527 -1.840 6.248 1.00 0.27 H new ATOM 634 N VAL A 41 0.423 -4.976 6.194 1.00 0.29 N ATOM 635 CA VAL A 41 1.281 -5.965 6.824 1.00 0.39 C ATOM 636 C VAL A 41 2.228 -6.560 5.791 1.00 0.38 C ATOM 637 O VAL A 41 3.047 -7.421 6.116 1.00 0.45 O ATOM 638 CB VAL A 41 0.487 -7.123 7.452 1.00 0.50 C ATOM 639 CG1 VAL A 41 1.274 -7.748 8.595 1.00 0.68 C ATOM 640 CG2 VAL A 41 -0.886 -6.665 7.925 1.00 0.51 C ATOM 0 H VAL A 41 -0.233 -5.361 5.515 1.00 0.29 H new ATOM 0 HA VAL A 41 1.825 -5.446 7.613 1.00 0.39 H new ATOM 0 HB VAL A 41 0.332 -7.880 6.683 1.00 0.50 H new ATOM 0 HG11 VAL A 41 0.698 -8.566 9.029 1.00 0.68 H new ATOM 0 HG12 VAL A 41 2.222 -8.132 8.217 1.00 0.68 H new ATOM 0 HG13 VAL A 41 1.466 -6.995 9.359 1.00 0.68 H new ATOM 0 HG21 VAL A 41 -1.420 -7.508 8.363 1.00 0.51 H new ATOM 0 HG22 VAL A 41 -0.770 -5.881 8.673 1.00 0.51 H new ATOM 0 HG23 VAL A 41 -1.452 -6.278 7.078 1.00 0.51 H new ATOM 650 N HIS A 42 2.121 -6.100 4.541 1.00 0.35 N ATOM 651 CA HIS A 42 2.969 -6.623 3.485 1.00 0.40 C ATOM 652 C HIS A 42 4.354 -6.048 3.575 1.00 0.36 C ATOM 653 O HIS A 42 4.741 -5.170 2.806 1.00 0.31 O ATOM 654 CB HIS A 42 2.337 -6.400 2.113 1.00 0.43 C ATOM 655 CG HIS A 42 1.875 -7.674 1.475 1.00 0.64 C ATOM 656 ND1 HIS A 42 0.559 -8.086 1.485 1.00 1.35 N ATOM 657 CD2 HIS A 42 2.562 -8.637 0.812 1.00 1.27 C ATOM 658 CE1 HIS A 42 0.457 -9.244 0.858 1.00 1.32 C ATOM 659 NE2 HIS A 42 1.657 -9.600 0.441 1.00 1.17 N ATOM 0 H HIS A 42 1.464 -5.378 4.246 1.00 0.35 H new ATOM 0 HA HIS A 42 3.061 -7.701 3.620 1.00 0.40 H new ATOM 0 HB2 HIS A 42 1.490 -5.721 2.214 1.00 0.43 H new ATOM 0 HB3 HIS A 42 3.060 -5.913 1.459 1.00 0.43 H new ATOM 0 HD2 HIS A 42 3.623 -8.645 0.613 1.00 1.27 H new ATOM 0 HE1 HIS A 42 -0.454 -9.805 0.711 1.00 1.32 H new ATOM 0 HE2 HIS A 42 1.877 -10.453 -0.074 1.00 1.17 H new ATOM 668 N VAL A 43 5.095 -6.609 4.521 1.00 0.43 N ATOM 669 CA VAL A 43 6.465 -6.208 4.801 1.00 0.44 C ATOM 670 C VAL A 43 7.367 -6.322 3.587 1.00 0.44 C ATOM 671 O VAL A 43 8.153 -7.258 3.452 1.00 0.54 O ATOM 672 CB VAL A 43 7.056 -7.034 5.966 1.00 0.55 C ATOM 673 CG1 VAL A 43 6.947 -8.526 5.682 1.00 1.49 C ATOM 674 CG2 VAL A 43 8.502 -6.641 6.239 1.00 1.34 C ATOM 0 H VAL A 43 4.758 -7.362 5.121 1.00 0.43 H new ATOM 0 HA VAL A 43 6.423 -5.156 5.085 1.00 0.44 H new ATOM 0 HB VAL A 43 6.474 -6.814 6.861 1.00 0.55 H new ATOM 0 HG11 VAL A 43 7.369 -9.087 6.516 1.00 1.49 H new ATOM 0 HG12 VAL A 43 5.899 -8.797 5.556 1.00 1.49 H new ATOM 0 HG13 VAL A 43 7.495 -8.764 4.770 1.00 1.49 H new ATOM 0 HG21 VAL A 43 8.892 -7.238 7.063 1.00 1.34 H new ATOM 0 HG22 VAL A 43 9.102 -6.819 5.347 1.00 1.34 H new ATOM 0 HG23 VAL A 43 8.548 -5.584 6.503 1.00 1.34 H new ATOM 684 N ALA A 44 7.234 -5.350 2.703 1.00 0.36 N ATOM 685 CA ALA A 44 8.059 -5.278 1.518 1.00 0.42 C ATOM 686 C ALA A 44 9.274 -4.421 1.807 1.00 0.41 C ATOM 687 O ALA A 44 9.613 -3.514 1.048 1.00 0.45 O ATOM 688 CB ALA A 44 7.269 -4.732 0.342 1.00 0.48 C ATOM 0 H ALA A 44 6.554 -4.594 2.788 1.00 0.36 H new ATOM 0 HA ALA A 44 8.390 -6.281 1.248 1.00 0.42 H new ATOM 0 HB1 ALA A 44 7.911 -4.687 -0.538 1.00 0.48 H new ATOM 0 HB2 ALA A 44 6.420 -5.385 0.139 1.00 0.48 H new ATOM 0 HB3 ALA A 44 6.908 -3.731 0.579 1.00 0.48 H new ATOM 694 N GLU A 45 9.929 -4.727 2.921 1.00 0.43 N ATOM 695 CA GLU A 45 11.112 -3.991 3.350 1.00 0.49 C ATOM 696 C GLU A 45 12.084 -3.841 2.193 1.00 0.53 C ATOM 697 O GLU A 45 12.862 -2.890 2.136 1.00 0.62 O ATOM 698 CB GLU A 45 11.792 -4.707 4.518 1.00 0.58 C ATOM 699 CG GLU A 45 13.054 -4.014 5.004 1.00 1.27 C ATOM 700 CD GLU A 45 13.700 -4.730 6.175 1.00 1.96 C ATOM 701 OE1 GLU A 45 14.502 -5.656 5.936 1.00 2.44 O ATOM 702 OE2 GLU A 45 13.402 -4.364 7.332 1.00 2.42 O ATOM 0 H GLU A 45 9.658 -5.485 3.547 1.00 0.43 H new ATOM 0 HA GLU A 45 10.802 -3.000 3.682 1.00 0.49 H new ATOM 0 HB2 GLU A 45 11.088 -4.784 5.346 1.00 0.58 H new ATOM 0 HB3 GLU A 45 12.040 -5.724 4.215 1.00 0.58 H new ATOM 0 HG2 GLU A 45 13.768 -3.951 4.183 1.00 1.27 H new ATOM 0 HG3 GLU A 45 12.813 -2.992 5.296 1.00 1.27 H new ATOM 709 N ASP A 46 12.025 -4.792 1.272 1.00 0.54 N ATOM 710 CA ASP A 46 12.883 -4.765 0.097 1.00 0.62 C ATOM 711 C ASP A 46 12.380 -3.721 -0.880 1.00 0.65 C ATOM 712 O ASP A 46 13.160 -2.962 -1.443 1.00 0.75 O ATOM 713 CB ASP A 46 12.922 -6.138 -0.570 1.00 0.68 C ATOM 714 CG ASP A 46 13.920 -6.201 -1.710 1.00 1.64 C ATOM 715 OD1 ASP A 46 13.550 -5.828 -2.843 1.00 2.48 O ATOM 716 OD2 ASP A 46 15.071 -6.622 -1.469 1.00 1.96 O ATOM 0 H ASP A 46 11.393 -5.591 1.316 1.00 0.54 H new ATOM 0 HA ASP A 46 13.896 -4.506 0.407 1.00 0.62 H new ATOM 0 HB2 ASP A 46 13.177 -6.893 0.174 1.00 0.68 H new ATOM 0 HB3 ASP A 46 11.929 -6.384 -0.946 1.00 0.68 H new ATOM 721 N VAL A 47 11.069 -3.677 -1.072 1.00 0.62 N ATOM 722 CA VAL A 47 10.478 -2.702 -1.969 1.00 0.72 C ATOM 723 C VAL A 47 10.731 -1.300 -1.428 1.00 0.75 C ATOM 724 O VAL A 47 11.155 -0.427 -2.150 1.00 0.88 O ATOM 725 CB VAL A 47 8.963 -2.933 -2.135 1.00 0.73 C ATOM 726 CG1 VAL A 47 8.348 -1.856 -3.014 1.00 0.84 C ATOM 727 CG2 VAL A 47 8.699 -4.314 -2.718 1.00 0.76 C ATOM 0 H VAL A 47 10.401 -4.302 -0.621 1.00 0.62 H new ATOM 0 HA VAL A 47 10.942 -2.813 -2.949 1.00 0.72 H new ATOM 0 HB VAL A 47 8.497 -2.877 -1.151 1.00 0.73 H new ATOM 0 HG11 VAL A 47 7.278 -2.038 -3.118 1.00 0.84 H new ATOM 0 HG12 VAL A 47 8.507 -0.879 -2.557 1.00 0.84 H new ATOM 0 HG13 VAL A 47 8.817 -1.877 -3.998 1.00 0.84 H new ATOM 0 HG21 VAL A 47 7.625 -4.463 -2.829 1.00 0.76 H new ATOM 0 HG22 VAL A 47 9.180 -4.395 -3.693 1.00 0.76 H new ATOM 0 HG23 VAL A 47 9.103 -5.074 -2.050 1.00 0.76 H new ATOM 737 N ALA A 48 10.477 -1.146 -0.135 1.00 0.68 N ATOM 738 CA ALA A 48 10.653 0.096 0.627 1.00 0.77 C ATOM 739 C ALA A 48 12.121 0.481 0.726 1.00 0.86 C ATOM 740 O ALA A 48 12.507 1.591 0.360 1.00 0.99 O ATOM 741 CB ALA A 48 10.079 -0.081 2.025 1.00 0.70 C ATOM 0 H ALA A 48 10.128 -1.912 0.441 1.00 0.68 H new ATOM 0 HA ALA A 48 10.126 0.894 0.104 1.00 0.77 H new ATOM 0 HB1 ALA A 48 10.209 0.841 2.591 1.00 0.70 H new ATOM 0 HB2 ALA A 48 9.017 -0.317 1.955 1.00 0.70 H new ATOM 0 HB3 ALA A 48 10.599 -0.894 2.531 1.00 0.70 H new ATOM 747 N LYS A 49 12.941 -0.442 1.225 1.00 0.81 N ATOM 748 CA LYS A 49 14.370 -0.190 1.362 1.00 0.92 C ATOM 749 C LYS A 49 14.967 0.098 -0.006 1.00 0.98 C ATOM 750 O LYS A 49 15.910 0.876 -0.143 1.00 1.11 O ATOM 751 CB LYS A 49 15.069 -1.392 2.000 1.00 0.90 C ATOM 752 CG LYS A 49 16.539 -1.151 2.301 1.00 1.34 C ATOM 753 CD LYS A 49 17.222 -2.416 2.795 1.00 2.07 C ATOM 754 CE LYS A 49 16.533 -2.978 4.028 1.00 2.67 C ATOM 755 NZ LYS A 49 16.550 -2.014 5.163 1.00 3.35 N ATOM 0 H LYS A 49 12.641 -1.365 1.539 1.00 0.81 H new ATOM 0 HA LYS A 49 14.517 0.674 2.010 1.00 0.92 H new ATOM 0 HB2 LYS A 49 14.555 -1.652 2.925 1.00 0.90 H new ATOM 0 HB3 LYS A 49 14.979 -2.250 1.334 1.00 0.90 H new ATOM 0 HG2 LYS A 49 17.041 -0.792 1.403 1.00 1.34 H new ATOM 0 HG3 LYS A 49 16.634 -0.368 3.053 1.00 1.34 H new ATOM 0 HD2 LYS A 49 17.220 -3.165 2.003 1.00 2.07 H new ATOM 0 HD3 LYS A 49 18.265 -2.200 3.027 1.00 2.07 H new ATOM 0 HE2 LYS A 49 15.502 -3.232 3.783 1.00 2.67 H new ATOM 0 HE3 LYS A 49 17.026 -3.902 4.330 1.00 2.67 H new ATOM 0 HZ1 LYS A 49 16.178 -2.477 6.017 1.00 3.35 H new ATOM 0 HZ2 LYS A 49 17.526 -1.700 5.337 1.00 3.35 H new ATOM 0 HZ3 LYS A 49 15.958 -1.192 4.929 1.00 3.35 H new ATOM 769 N ASP A 50 14.408 -0.552 -1.015 1.00 0.91 N ATOM 770 CA ASP A 50 14.853 -0.371 -2.387 1.00 1.00 C ATOM 771 C ASP A 50 14.045 0.735 -3.069 1.00 1.12 C ATOM 772 O ASP A 50 14.395 1.185 -4.160 1.00 1.28 O ATOM 773 CB ASP A 50 14.713 -1.681 -3.164 1.00 0.94 C ATOM 774 CG ASP A 50 15.587 -1.717 -4.403 1.00 1.38 C ATOM 775 OD1 ASP A 50 15.118 -1.275 -5.472 1.00 1.45 O ATOM 776 OD2 ASP A 50 16.739 -2.187 -4.303 1.00 2.00 O ATOM 0 H ASP A 50 13.640 -1.214 -0.907 1.00 0.91 H new ATOM 0 HA ASP A 50 15.903 -0.078 -2.376 1.00 1.00 H new ATOM 0 HB2 ASP A 50 14.976 -2.515 -2.514 1.00 0.94 H new ATOM 0 HB3 ASP A 50 13.671 -1.818 -3.454 1.00 0.94 H new ATOM 781 N TYR A 51 12.958 1.168 -2.424 1.00 1.07 N ATOM 782 CA TYR A 51 12.112 2.206 -2.976 1.00 1.22 C ATOM 783 C TYR A 51 12.673 3.574 -2.641 1.00 1.37 C ATOM 784 O TYR A 51 13.062 4.341 -3.521 1.00 1.51 O ATOM 785 CB TYR A 51 10.684 2.119 -2.452 1.00 1.20 C ATOM 786 CG TYR A 51 9.709 1.412 -3.383 1.00 1.26 C ATOM 787 CD1 TYR A 51 10.158 0.623 -4.442 1.00 1.68 C ATOM 788 CD2 TYR A 51 8.334 1.543 -3.209 1.00 1.11 C ATOM 789 CE1 TYR A 51 9.270 -0.006 -5.292 1.00 1.87 C ATOM 790 CE2 TYR A 51 7.442 0.910 -4.055 1.00 1.18 C ATOM 791 CZ TYR A 51 7.915 0.141 -5.095 1.00 1.57 C ATOM 792 OH TYR A 51 7.028 -0.485 -5.942 1.00 1.77 O ATOM 0 H TYR A 51 12.651 0.810 -1.520 1.00 1.07 H new ATOM 0 HA TYR A 51 12.093 2.059 -4.056 1.00 1.22 H new ATOM 0 HB2 TYR A 51 10.694 1.599 -1.494 1.00 1.20 H new ATOM 0 HB3 TYR A 51 10.318 3.128 -2.263 1.00 1.20 H new ATOM 0 HD1 TYR A 51 11.219 0.502 -4.600 1.00 1.68 H new ATOM 0 HD2 TYR A 51 7.957 2.150 -2.399 1.00 1.11 H new ATOM 0 HE1 TYR A 51 9.637 -0.611 -6.108 1.00 1.87 H new ATOM 0 HE2 TYR A 51 6.379 1.018 -3.901 1.00 1.18 H new ATOM 0 HH TYR A 51 7.429 -1.311 -6.283 1.00 1.77 H new ATOM 802 N GLU A 52 12.717 3.862 -1.344 1.00 1.35 N ATOM 803 CA GLU A 52 13.218 5.137 -0.862 1.00 1.51 C ATOM 804 C GLU A 52 14.728 5.085 -0.661 1.00 1.55 C ATOM 805 O GLU A 52 15.456 5.984 -1.079 1.00 1.70 O ATOM 806 CB GLU A 52 12.529 5.523 0.452 1.00 1.52 C ATOM 807 CG GLU A 52 12.994 4.708 1.651 1.00 1.43 C ATOM 808 CD GLU A 52 12.301 5.111 2.939 1.00 1.44 C ATOM 809 OE1 GLU A 52 12.564 6.229 3.431 1.00 1.77 O ATOM 810 OE2 GLU A 52 11.498 4.309 3.458 1.00 1.20 O ATOM 0 H GLU A 52 12.410 3.225 -0.609 1.00 1.35 H new ATOM 0 HA GLU A 52 12.993 5.893 -1.614 1.00 1.51 H new ATOM 0 HB2 GLU A 52 12.710 6.579 0.650 1.00 1.52 H new ATOM 0 HB3 GLU A 52 11.452 5.401 0.337 1.00 1.52 H new ATOM 0 HG2 GLU A 52 12.810 3.651 1.460 1.00 1.43 H new ATOM 0 HG3 GLU A 52 14.071 4.827 1.770 1.00 1.43 H new ATOM 817 N ASP A 53 15.185 4.019 -0.014 1.00 1.43 N ATOM 818 CA ASP A 53 16.602 3.833 0.260 1.00 1.48 C ATOM 819 C ASP A 53 17.337 3.277 -0.957 1.00 1.47 C ATOM 820 O ASP A 53 18.552 3.430 -1.080 1.00 1.59 O ATOM 821 CB ASP A 53 16.777 2.897 1.457 1.00 1.40 C ATOM 822 CG ASP A 53 16.916 3.651 2.765 1.00 1.76 C ATOM 823 OD1 ASP A 53 15.882 4.097 3.306 1.00 2.30 O ATOM 824 OD2 ASP A 53 18.058 3.796 3.248 1.00 1.84 O ATOM 0 H ASP A 53 14.589 3.267 0.332 1.00 1.43 H new ATOM 0 HA ASP A 53 17.035 4.806 0.493 1.00 1.48 H new ATOM 0 HB2 ASP A 53 15.921 2.225 1.517 1.00 1.40 H new ATOM 0 HB3 ASP A 53 17.660 2.276 1.303 1.00 1.40 H new ATOM 829 N GLY A 54 16.597 2.631 -1.852 1.00 1.36 N ATOM 830 CA GLY A 54 17.207 2.071 -3.044 1.00 1.37 C ATOM 831 C GLY A 54 17.729 3.144 -3.980 1.00 1.49 C ATOM 832 O GLY A 54 18.833 3.029 -4.513 1.00 1.61 O ATOM 0 H GLY A 54 15.590 2.486 -1.774 1.00 1.36 H new ATOM 0 HA2 GLY A 54 18.027 1.413 -2.755 1.00 1.37 H new ATOM 0 HA3 GLY A 54 16.476 1.457 -3.570 1.00 1.37 H new ATOM 836 N LEU A 55 16.933 4.189 -4.180 1.00 1.49 N ATOM 837 CA LEU A 55 17.321 5.289 -5.053 1.00 1.63 C ATOM 838 C LEU A 55 18.283 6.234 -4.341 1.00 1.70 C ATOM 839 O LEU A 55 19.406 6.451 -4.796 1.00 1.78 O ATOM 840 CB LEU A 55 16.083 6.058 -5.521 1.00 1.67 C ATOM 841 CG LEU A 55 15.296 5.394 -6.652 1.00 1.85 C ATOM 842 CD1 LEU A 55 16.138 5.321 -7.916 1.00 2.26 C ATOM 843 CD2 LEU A 55 14.833 4.005 -6.238 1.00 2.34 C ATOM 0 H LEU A 55 16.015 4.297 -3.749 1.00 1.49 H new ATOM 0 HA LEU A 55 17.829 4.870 -5.922 1.00 1.63 H new ATOM 0 HB2 LEU A 55 15.417 6.197 -4.669 1.00 1.67 H new ATOM 0 HB3 LEU A 55 16.393 7.050 -5.849 1.00 1.67 H new ATOM 0 HG LEU A 55 14.415 6.001 -6.860 1.00 1.85 H new ATOM 0 HD11 LEU A 55 15.562 4.846 -8.710 1.00 2.26 H new ATOM 0 HD12 LEU A 55 16.419 6.328 -8.225 1.00 2.26 H new ATOM 0 HD13 LEU A 55 17.037 4.737 -7.721 1.00 2.26 H new ATOM 0 HD21 LEU A 55 14.275 3.549 -7.056 1.00 2.34 H new ATOM 0 HD22 LEU A 55 15.700 3.388 -6.002 1.00 2.34 H new ATOM 0 HD23 LEU A 55 14.192 4.082 -5.360 1.00 2.34 H new ATOM 855 N GLU A 56 17.835 6.793 -3.221 1.00 1.70 N ATOM 856 CA GLU A 56 18.660 7.711 -2.446 1.00 1.80 C ATOM 857 C GLU A 56 19.511 6.954 -1.431 1.00 1.75 C ATOM 858 O GLU A 56 19.360 7.132 -0.222 1.00 1.78 O ATOM 859 CB GLU A 56 17.784 8.738 -1.730 1.00 1.87 C ATOM 860 CG GLU A 56 16.962 9.599 -2.673 1.00 1.94 C ATOM 861 CD GLU A 56 17.818 10.343 -3.679 1.00 2.37 C ATOM 862 OE1 GLU A 56 18.281 11.457 -3.357 1.00 2.57 O ATOM 863 OE2 GLU A 56 18.027 9.811 -4.790 1.00 2.95 O ATOM 0 H GLU A 56 16.907 6.626 -2.831 1.00 1.70 H new ATOM 0 HA GLU A 56 19.326 8.231 -3.135 1.00 1.80 H new ATOM 0 HB2 GLU A 56 17.112 8.217 -1.048 1.00 1.87 H new ATOM 0 HB3 GLU A 56 18.418 9.383 -1.122 1.00 1.87 H new ATOM 0 HG2 GLU A 56 16.248 8.970 -3.204 1.00 1.94 H new ATOM 0 HG3 GLU A 56 16.384 10.317 -2.092 1.00 1.94 H new ATOM 870 N TYR A 57 20.406 6.110 -1.931 1.00 1.71 N ATOM 871 CA TYR A 57 21.283 5.324 -1.071 1.00 1.68 C ATOM 872 C TYR A 57 22.572 6.082 -0.772 1.00 1.81 C ATOM 873 O TYR A 57 23.519 5.979 -1.580 1.00 2.23 O ATOM 874 CB TYR A 57 21.607 3.980 -1.728 1.00 1.60 C ATOM 875 CG TYR A 57 22.568 3.128 -0.928 1.00 1.59 C ATOM 876 CD1 TYR A 57 22.152 2.468 0.221 1.00 1.54 C ATOM 877 CD2 TYR A 57 23.891 2.984 -1.324 1.00 1.67 C ATOM 878 CE1 TYR A 57 23.027 1.689 0.953 1.00 1.58 C ATOM 879 CE2 TYR A 57 24.773 2.206 -0.598 1.00 1.68 C ATOM 880 CZ TYR A 57 24.336 1.560 0.539 1.00 1.64 C ATOM 881 OH TYR A 57 25.211 0.784 1.266 1.00 1.69 O ATOM 882 OXT TYR A 57 22.625 6.770 0.269 1.00 2.06 O ATOM 0 H TYR A 57 20.544 5.952 -2.929 1.00 1.71 H new ATOM 0 HA TYR A 57 20.762 5.143 -0.131 1.00 1.68 H new ATOM 0 HB2 TYR A 57 20.680 3.425 -1.876 1.00 1.60 H new ATOM 0 HB3 TYR A 57 22.031 4.161 -2.715 1.00 1.60 H new ATOM 0 HD1 TYR A 57 21.127 2.565 0.548 1.00 1.54 H new ATOM 0 HD2 TYR A 57 24.237 3.488 -2.214 1.00 1.67 H new ATOM 0 HE1 TYR A 57 22.688 1.184 1.845 1.00 1.58 H new ATOM 0 HE2 TYR A 57 25.799 2.105 -0.920 1.00 1.68 H new ATOM 0 HH TYR A 57 26.093 0.798 0.839 1.00 1.69 H new TER 892 TYR A 57 ATOM 893 N ALA B 1 -11.866 -9.837 -6.594 1.00 5.20 N ATOM 894 CA ALA B 1 -11.793 -10.998 -5.668 1.00 4.69 C ATOM 895 C ALA B 1 -12.190 -10.605 -4.240 1.00 3.91 C ATOM 896 O ALA B 1 -13.278 -10.961 -3.786 1.00 3.61 O ATOM 897 CB ALA B 1 -10.404 -11.622 -5.704 1.00 4.99 C ATOM 0 H1 ALA B 1 -12.244 -10.148 -7.511 1.00 5.20 H new ATOM 0 H2 ALA B 1 -12.490 -9.110 -6.190 1.00 5.20 H new ATOM 0 H3 ALA B 1 -10.914 -9.440 -6.729 1.00 5.20 H new ATOM 0 HA ALA B 1 -12.511 -11.744 -6.007 1.00 4.69 H new ATOM 0 HB1 ALA B 1 -10.368 -12.470 -5.020 1.00 4.99 H new ATOM 0 HB2 ALA B 1 -10.184 -11.962 -6.716 1.00 4.99 H new ATOM 0 HB3 ALA B 1 -9.664 -10.881 -5.401 1.00 4.99 H new ATOM 905 N PRO B 2 -11.331 -9.867 -3.500 1.00 3.99 N ATOM 906 CA PRO B 2 -11.645 -9.456 -2.127 1.00 3.65 C ATOM 907 C PRO B 2 -12.627 -8.286 -2.075 1.00 2.77 C ATOM 908 O PRO B 2 -12.280 -7.160 -2.435 1.00 2.79 O ATOM 909 CB PRO B 2 -10.287 -9.033 -1.576 1.00 4.44 C ATOM 910 CG PRO B 2 -9.547 -8.532 -2.765 1.00 5.12 C ATOM 911 CD PRO B 2 -9.998 -9.383 -3.922 1.00 4.90 C ATOM 0 HA PRO B 2 -12.128 -10.253 -1.562 1.00 3.65 H new ATOM 0 HB2 PRO B 2 -10.390 -8.258 -0.816 1.00 4.44 H new ATOM 0 HB3 PRO B 2 -9.769 -9.871 -1.109 1.00 4.44 H new ATOM 0 HG2 PRO B 2 -9.766 -7.480 -2.946 1.00 5.12 H new ATOM 0 HG3 PRO B 2 -8.470 -8.613 -2.617 1.00 5.12 H new ATOM 0 HD2 PRO B 2 -10.055 -8.807 -4.845 1.00 4.90 H new ATOM 0 HD3 PRO B 2 -9.311 -10.209 -4.104 1.00 4.90 H new ATOM 919 N PRO B 3 -13.871 -8.534 -1.626 1.00 2.55 N ATOM 920 CA PRO B 3 -14.895 -7.490 -1.527 1.00 2.38 C ATOM 921 C PRO B 3 -14.591 -6.487 -0.418 1.00 2.11 C ATOM 922 O PRO B 3 -14.739 -6.791 0.765 1.00 2.74 O ATOM 923 CB PRO B 3 -16.171 -8.271 -1.208 1.00 3.12 C ATOM 924 CG PRO B 3 -15.697 -9.519 -0.548 1.00 3.56 C ATOM 925 CD PRO B 3 -14.374 -9.847 -1.182 1.00 3.22 C ATOM 0 HA PRO B 3 -14.962 -6.896 -2.438 1.00 2.38 H new ATOM 0 HB2 PRO B 3 -16.830 -7.702 -0.552 1.00 3.12 H new ATOM 0 HB3 PRO B 3 -16.736 -8.492 -2.113 1.00 3.12 H new ATOM 0 HG2 PRO B 3 -15.589 -9.375 0.527 1.00 3.56 H new ATOM 0 HG3 PRO B 3 -16.410 -10.331 -0.691 1.00 3.56 H new ATOM 0 HD2 PRO B 3 -13.694 -10.318 -0.472 1.00 3.22 H new ATOM 0 HD3 PRO B 3 -14.489 -10.536 -2.018 1.00 3.22 H new ATOM 933 N GLY B 4 -14.165 -5.291 -0.813 1.00 1.73 N ATOM 934 CA GLY B 4 -13.840 -4.262 0.157 1.00 1.69 C ATOM 935 C GLY B 4 -12.523 -3.580 -0.154 1.00 1.53 C ATOM 936 O GLY B 4 -12.485 -2.597 -0.893 1.00 2.11 O ATOM 0 H GLY B 4 -14.039 -5.017 -1.787 1.00 1.73 H new ATOM 0 HA2 GLY B 4 -14.637 -3.519 0.177 1.00 1.69 H new ATOM 0 HA3 GLY B 4 -13.792 -4.705 1.152 1.00 1.69 H new ATOM 940 N THR B 5 -11.440 -4.109 0.407 1.00 1.20 N ATOM 941 CA THR B 5 -10.111 -3.557 0.183 1.00 1.17 C ATOM 942 C THR B 5 -9.454 -4.167 -1.049 1.00 1.11 C ATOM 943 O THR B 5 -9.944 -5.149 -1.608 1.00 1.30 O ATOM 944 CB THR B 5 -9.189 -3.791 1.391 1.00 1.49 C ATOM 945 OG1 THR B 5 -7.834 -3.528 1.016 1.00 1.85 O ATOM 946 CG2 THR B 5 -9.307 -5.219 1.903 1.00 1.82 C ATOM 0 H THR B 5 -11.459 -4.922 1.022 1.00 1.20 H new ATOM 0 HA THR B 5 -10.247 -2.486 0.033 1.00 1.17 H new ATOM 0 HB THR B 5 -9.492 -3.114 2.190 1.00 1.49 H new ATOM 0 HG1 THR B 5 -7.267 -4.279 1.291 1.00 1.85 H new ATOM 0 HG21 THR B 5 -8.644 -5.355 2.757 1.00 1.82 H new ATOM 0 HG22 THR B 5 -10.336 -5.412 2.208 1.00 1.82 H new ATOM 0 HG23 THR B 5 -9.026 -5.914 1.111 1.00 1.82 H new ATOM 954 N ALA B 6 -8.337 -3.577 -1.464 1.00 1.15 N ATOM 955 CA ALA B 6 -7.602 -4.052 -2.629 1.00 1.27 C ATOM 956 C ALA B 6 -6.109 -4.169 -2.324 1.00 1.57 C ATOM 957 O ALA B 6 -5.657 -3.790 -1.244 1.00 1.86 O ATOM 958 CB ALA B 6 -7.834 -3.120 -3.811 1.00 1.16 C ATOM 0 H ALA B 6 -7.920 -2.765 -1.008 1.00 1.15 H new ATOM 0 HA ALA B 6 -7.971 -5.045 -2.886 1.00 1.27 H new ATOM 0 HB1 ALA B 6 -7.280 -3.485 -4.676 1.00 1.16 H new ATOM 0 HB2 ALA B 6 -8.898 -3.090 -4.048 1.00 1.16 H new ATOM 0 HB3 ALA B 6 -7.491 -2.117 -3.557 1.00 1.16 H new ATOM 964 N ARG B 7 -5.351 -4.697 -3.281 1.00 2.16 N ATOM 965 CA ARG B 7 -3.910 -4.866 -3.113 1.00 2.49 C ATOM 966 C ARG B 7 -3.146 -4.171 -4.241 1.00 1.97 C ATOM 967 O ARG B 7 -3.400 -4.431 -5.416 1.00 2.16 O ATOM 968 CB ARG B 7 -3.556 -6.355 -3.086 1.00 3.50 C ATOM 969 CG ARG B 7 -3.945 -7.092 -4.355 1.00 4.23 C ATOM 970 CD ARG B 7 -3.638 -8.575 -4.252 1.00 5.24 C ATOM 971 NE ARG B 7 -3.937 -9.278 -5.494 1.00 5.78 N ATOM 972 CZ ARG B 7 -3.783 -10.586 -5.655 1.00 6.67 C ATOM 973 NH1 ARG B 7 -3.343 -11.333 -4.652 1.00 7.13 N ATOM 974 NH2 ARG B 7 -4.072 -11.149 -6.820 1.00 7.29 N ATOM 0 H ARG B 7 -5.710 -5.015 -4.181 1.00 2.16 H new ATOM 0 HA ARG B 7 -3.620 -4.410 -2.167 1.00 2.49 H new ATOM 0 HB2 ARG B 7 -2.483 -6.463 -2.927 1.00 3.50 H new ATOM 0 HB3 ARG B 7 -4.053 -6.823 -2.236 1.00 3.50 H new ATOM 0 HG2 ARG B 7 -5.009 -6.952 -4.547 1.00 4.23 H new ATOM 0 HG3 ARG B 7 -3.409 -6.666 -5.203 1.00 4.23 H new ATOM 0 HD2 ARG B 7 -2.586 -8.712 -4.001 1.00 5.24 H new ATOM 0 HD3 ARG B 7 -4.219 -9.011 -3.439 1.00 5.24 H new ATOM 0 HE ARG B 7 -4.284 -8.734 -6.284 1.00 5.78 H new ATOM 0 HH11 ARG B 7 -3.122 -10.902 -3.754 1.00 7.13 H new ATOM 0 HH12 ARG B 7 -3.225 -12.338 -4.778 1.00 7.13 H new ATOM 0 HH21 ARG B 7 -4.413 -10.577 -7.592 1.00 7.29 H new ATOM 0 HH22 ARG B 7 -3.954 -12.155 -6.944 1.00 7.29 H new ATOM 988 N ARG B 8 -2.213 -3.280 -3.887 1.00 1.65 N ATOM 989 CA ARG B 8 -1.429 -2.557 -4.889 1.00 1.81 C ATOM 990 C ARG B 8 -0.968 -3.489 -6.014 1.00 2.34 C ATOM 991 O ARG B 8 -1.281 -3.271 -7.185 1.00 3.35 O ATOM 992 CB ARG B 8 -0.217 -1.894 -4.228 1.00 2.17 C ATOM 993 CG ARG B 8 0.587 -1.012 -5.169 1.00 2.70 C ATOM 994 CD ARG B 8 -0.293 0.020 -5.856 1.00 3.52 C ATOM 995 NE ARG B 8 0.493 0.968 -6.641 1.00 4.36 N ATOM 996 CZ ARG B 8 -0.042 1.887 -7.437 1.00 5.31 C ATOM 997 NH1 ARG B 8 -1.360 1.979 -7.555 1.00 5.56 N ATOM 998 NH2 ARG B 8 0.740 2.713 -8.117 1.00 6.23 N ATOM 0 H ARG B 8 -1.985 -3.045 -2.921 1.00 1.65 H new ATOM 0 HA ARG B 8 -2.067 -1.789 -5.327 1.00 1.81 H new ATOM 0 HB2 ARG B 8 -0.558 -1.294 -3.384 1.00 2.17 H new ATOM 0 HB3 ARG B 8 0.435 -2.669 -3.825 1.00 2.17 H new ATOM 0 HG2 ARG B 8 1.374 -0.506 -4.611 1.00 2.70 H new ATOM 0 HG3 ARG B 8 1.077 -1.632 -5.920 1.00 2.70 H new ATOM 0 HD2 ARG B 8 -1.007 -0.486 -6.506 1.00 3.52 H new ATOM 0 HD3 ARG B 8 -0.872 0.560 -5.107 1.00 3.52 H new ATOM 0 HE ARG B 8 1.510 0.922 -6.574 1.00 4.36 H new ATOM 0 HH11 ARG B 8 -1.964 1.343 -7.034 1.00 5.56 H new ATOM 0 HH12 ARG B 8 -1.769 2.685 -8.167 1.00 5.56 H new ATOM 0 HH21 ARG B 8 1.754 2.643 -8.029 1.00 6.23 H new ATOM 0 HH22 ARG B 8 0.328 3.418 -8.728 1.00 6.23 H new ATOM 1012 N LYS B 9 -0.233 -4.530 -5.638 1.00 1.97 N ATOM 1013 CA LYS B 9 0.277 -5.512 -6.592 1.00 2.57 C ATOM 1014 C LYS B 9 0.511 -6.838 -5.875 1.00 1.88 C ATOM 1015 O LYS B 9 -0.098 -7.096 -4.840 1.00 1.98 O ATOM 1016 CB LYS B 9 1.575 -5.003 -7.227 1.00 3.57 C ATOM 1017 CG LYS B 9 1.411 -3.695 -7.983 1.00 4.55 C ATOM 1018 CD LYS B 9 2.734 -3.215 -8.560 1.00 5.55 C ATOM 1019 CE LYS B 9 2.565 -1.928 -9.351 1.00 6.48 C ATOM 1020 NZ LYS B 9 2.088 -0.807 -8.495 1.00 7.18 N ATOM 0 H LYS B 9 0.026 -4.718 -4.669 1.00 1.97 H new ATOM 0 HA LYS B 9 -0.454 -5.664 -7.387 1.00 2.57 H new ATOM 0 HB2 LYS B 9 2.324 -4.870 -6.446 1.00 3.57 H new ATOM 0 HB3 LYS B 9 1.958 -5.762 -7.910 1.00 3.57 H new ATOM 0 HG2 LYS B 9 0.688 -3.827 -8.788 1.00 4.55 H new ATOM 0 HG3 LYS B 9 1.008 -2.935 -7.314 1.00 4.55 H new ATOM 0 HD2 LYS B 9 3.448 -3.055 -7.752 1.00 5.55 H new ATOM 0 HD3 LYS B 9 3.152 -3.987 -9.206 1.00 5.55 H new ATOM 0 HE2 LYS B 9 3.516 -1.656 -9.808 1.00 6.48 H new ATOM 0 HE3 LYS B 9 1.856 -2.092 -10.163 1.00 6.48 H new ATOM 0 HZ1 LYS B 9 2.147 0.085 -9.026 1.00 7.18 H new ATOM 0 HZ2 LYS B 9 1.101 -0.979 -8.216 1.00 7.18 H new ATOM 0 HZ3 LYS B 9 2.682 -0.743 -7.644 1.00 7.18 H new ATOM 1034 N ARG B 10 1.368 -7.695 -6.424 1.00 1.72 N ATOM 1035 CA ARG B 10 1.669 -8.965 -5.774 1.00 1.51 C ATOM 1036 C ARG B 10 2.083 -8.717 -4.324 1.00 1.39 C ATOM 1037 O ARG B 10 1.942 -9.588 -3.465 1.00 1.77 O ATOM 1038 CB ARG B 10 2.795 -9.688 -6.512 1.00 1.88 C ATOM 1039 CG ARG B 10 4.127 -8.961 -6.432 1.00 2.02 C ATOM 1040 CD ARG B 10 5.266 -9.818 -6.959 1.00 2.74 C ATOM 1041 NE ARG B 10 5.428 -11.045 -6.182 1.00 2.98 N ATOM 1042 CZ ARG B 10 6.516 -11.808 -6.226 1.00 3.73 C ATOM 1043 NH1 ARG B 10 7.538 -11.466 -6.999 1.00 4.23 N ATOM 1044 NH2 ARG B 10 6.583 -12.911 -5.495 1.00 4.33 N ATOM 0 H ARG B 10 1.859 -7.536 -7.304 1.00 1.72 H new ATOM 0 HA ARG B 10 0.776 -9.589 -5.796 1.00 1.51 H new ATOM 0 HB2 ARG B 10 2.909 -10.689 -6.096 1.00 1.88 H new ATOM 0 HB3 ARG B 10 2.516 -9.808 -7.559 1.00 1.88 H new ATOM 0 HG2 ARG B 10 4.072 -8.036 -7.006 1.00 2.02 H new ATOM 0 HG3 ARG B 10 4.329 -8.683 -5.397 1.00 2.02 H new ATOM 0 HD2 ARG B 10 5.078 -10.071 -8.002 1.00 2.74 H new ATOM 0 HD3 ARG B 10 6.193 -9.246 -6.932 1.00 2.74 H new ATOM 0 HE ARG B 10 4.663 -11.332 -5.571 1.00 2.98 H new ATOM 0 HH11 ARG B 10 7.490 -10.616 -7.561 1.00 4.23 H new ATOM 0 HH12 ARG B 10 8.372 -12.053 -7.031 1.00 4.23 H new ATOM 0 HH21 ARG B 10 5.799 -13.175 -4.898 1.00 4.33 H new ATOM 0 HH22 ARG B 10 7.418 -13.496 -5.529 1.00 4.33 H new ATOM 1058 N LYS B 11 2.591 -7.513 -4.066 1.00 1.29 N ATOM 1059 CA LYS B 11 3.031 -7.128 -2.734 1.00 1.35 C ATOM 1060 C LYS B 11 4.053 -8.116 -2.190 1.00 1.21 C ATOM 1061 O LYS B 11 3.697 -9.197 -1.718 1.00 1.55 O ATOM 1062 CB LYS B 11 1.847 -7.024 -1.769 1.00 1.85 C ATOM 1063 CG LYS B 11 0.875 -5.901 -2.090 1.00 2.93 C ATOM 1064 CD LYS B 11 -0.037 -5.608 -0.908 1.00 3.41 C ATOM 1065 CE LYS B 11 -1.079 -4.557 -1.255 1.00 4.24 C ATOM 1066 NZ LYS B 11 -1.936 -4.216 -0.087 1.00 4.49 N ATOM 0 H LYS B 11 2.707 -6.785 -4.771 1.00 1.29 H new ATOM 0 HA LYS B 11 3.500 -6.147 -2.818 1.00 1.35 H new ATOM 0 HB2 LYS B 11 1.305 -7.970 -1.774 1.00 1.85 H new ATOM 0 HB3 LYS B 11 2.229 -6.880 -0.758 1.00 1.85 H new ATOM 0 HG2 LYS B 11 1.430 -5.001 -2.356 1.00 2.93 H new ATOM 0 HG3 LYS B 11 0.274 -6.174 -2.958 1.00 2.93 H new ATOM 0 HD2 LYS B 11 -0.535 -6.526 -0.595 1.00 3.41 H new ATOM 0 HD3 LYS B 11 0.560 -5.265 -0.063 1.00 3.41 H new ATOM 0 HE2 LYS B 11 -0.580 -3.657 -1.614 1.00 4.24 H new ATOM 0 HE3 LYS B 11 -1.705 -4.922 -2.070 1.00 4.24 H new ATOM 0 HZ1 LYS B 11 -2.070 -3.186 -0.044 1.00 4.49 H new ATOM 0 HZ2 LYS B 11 -2.860 -4.682 -0.187 1.00 4.49 H new ATOM 0 HZ3 LYS B 11 -1.477 -4.542 0.787 1.00 4.49 H new ATOM 1080 N ALA B 12 5.323 -7.739 -2.262 1.00 0.95 N ATOM 1081 CA ALA B 12 6.395 -8.588 -1.769 1.00 1.15 C ATOM 1082 C ALA B 12 6.545 -8.440 -0.260 1.00 1.48 C ATOM 1083 O ALA B 12 6.850 -7.360 0.233 1.00 2.05 O ATOM 1084 CB ALA B 12 7.706 -8.240 -2.460 1.00 1.09 C ATOM 0 H ALA B 12 5.634 -6.851 -2.657 1.00 0.95 H new ATOM 0 HA ALA B 12 6.142 -9.624 -1.994 1.00 1.15 H new ATOM 0 HB1 ALA B 12 8.499 -8.884 -2.081 1.00 1.09 H new ATOM 0 HB2 ALA B 12 7.601 -8.388 -3.535 1.00 1.09 H new ATOM 0 HB3 ALA B 12 7.957 -7.198 -2.260 1.00 1.09 H new ATOM 1090 N ASP B 13 6.323 -9.524 0.472 1.00 1.42 N ATOM 1091 CA ASP B 13 6.444 -9.491 1.925 1.00 1.79 C ATOM 1092 C ASP B 13 7.335 -10.621 2.422 1.00 1.88 C ATOM 1093 O ASP B 13 6.936 -11.414 3.274 1.00 2.28 O ATOM 1094 CB ASP B 13 5.067 -9.577 2.583 1.00 2.20 C ATOM 1095 CG ASP B 13 4.293 -10.804 2.146 1.00 3.02 C ATOM 1096 OD1 ASP B 13 3.988 -10.914 0.940 1.00 3.80 O ATOM 1097 OD2 ASP B 13 3.995 -11.657 3.009 1.00 3.28 O ATOM 0 H ASP B 13 6.060 -10.431 0.088 1.00 1.42 H new ATOM 0 HA ASP B 13 6.904 -8.542 2.202 1.00 1.79 H new ATOM 0 HB2 ASP B 13 5.186 -9.592 3.666 1.00 2.20 H new ATOM 0 HB3 ASP B 13 4.494 -8.683 2.338 1.00 2.20 H new ATOM 1102 N SER B 14 8.546 -10.688 1.880 1.00 2.21 N ATOM 1103 CA SER B 14 9.500 -11.718 2.265 1.00 2.81 C ATOM 1104 C SER B 14 8.938 -13.111 1.998 1.00 3.10 C ATOM 1105 O SER B 14 9.194 -13.651 0.900 1.00 3.52 O ATOM 1106 CB SER B 14 9.864 -11.575 3.744 1.00 3.34 C ATOM 1107 OG SER B 14 10.530 -10.350 3.989 1.00 3.91 O ATOM 1108 OXT SER B 14 8.246 -13.650 2.887 1.00 3.46 O ATOM 0 H SER B 14 8.889 -10.039 1.172 1.00 2.21 H new ATOM 0 HA SER B 14 10.399 -11.590 1.662 1.00 2.81 H new ATOM 0 HB2 SER B 14 8.960 -11.629 4.351 1.00 3.34 H new ATOM 0 HB3 SER B 14 10.501 -12.406 4.047 1.00 3.34 H new ATOM 0 HG SER B 14 10.750 -10.282 4.942 1.00 3.91 H new TER 1114 SER B 14