USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 576 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 50 THR OG1 : rot -108:sc= 1.15 USER MOD Set 1.2: A 59 ASN : amide:sc= 0.971 K(o=2.1,f=1.3) USER MOD Single : A 17 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.054) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 23 TYR OH : rot 30:sc= 0.671 USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 26 LYS NZ :NH3+ -124:sc= 0.268 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 30:sc= -0.0121 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot -140:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0.179 K(o=0.18,f=-1.4) USER MOD Single : A 49 SER OG : rot 180:sc= -0.139 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -82:sc= 1.25 USER MOD Single : A 66 ASN : amide:sc= -0.0148 K(o=-0.015,f=-1.6) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 73 SER OG : rot 86:sc= 0.18 USER MOD Single : A 84 LYS NZ :NH3+ 166:sc= 0.99 (180deg=0.824) USER MOD Single : A 85 SER OG : rot -79:sc= 1.23 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 16 -0.759 8.486 0.931 1.00 0.00 N ATOM 2 CA PHE A 16 -1.274 7.231 0.394 1.00 0.00 C ATOM 3 C PHE A 16 -0.296 6.088 0.635 1.00 0.00 C ATOM 4 O PHE A 16 -0.693 4.925 0.713 1.00 0.00 O ATOM 5 CB PHE A 16 -1.564 7.369 -1.102 1.00 0.00 C ATOM 6 CG PHE A 16 -2.707 8.293 -1.414 1.00 0.00 C ATOM 7 CD1 PHE A 16 -4.018 7.854 -1.324 1.00 0.00 C ATOM 8 CD2 PHE A 16 -2.470 9.605 -1.799 1.00 0.00 C ATOM 9 CE1 PHE A 16 -5.069 8.703 -1.612 1.00 0.00 C ATOM 10 CE2 PHE A 16 -3.520 10.456 -2.087 1.00 0.00 C ATOM 11 CZ PHE A 16 -4.819 10.005 -1.994 1.00 0.00 C ATOM 0 HA PHE A 16 -2.203 7.000 0.915 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.668 7.732 -1.605 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -1.783 6.383 -1.513 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.221 6.836 -1.025 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.454 9.965 -1.874 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -6.086 8.348 -1.538 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.323 11.475 -2.385 1.00 0.00 H new ATOM 0 HZ PHE A 16 -5.640 10.670 -2.220 1.00 0.00 H new ATOM 21 N LYS A 17 0.984 6.426 0.752 1.00 0.00 N ATOM 22 CA LYS A 17 2.017 5.431 1.017 1.00 0.00 C ATOM 23 C LYS A 17 1.718 4.651 2.289 1.00 0.00 C ATOM 24 O LYS A 17 1.558 5.232 3.363 1.00 0.00 O ATOM 25 CB LYS A 17 3.389 6.099 1.121 1.00 0.00 C ATOM 26 CG LYS A 17 4.547 5.130 1.319 1.00 0.00 C ATOM 27 CD LYS A 17 5.883 5.859 1.328 1.00 0.00 C ATOM 28 CE LYS A 17 7.036 4.898 1.574 1.00 0.00 C ATOM 29 NZ LYS A 17 8.353 5.589 1.540 1.00 0.00 N ATOM 0 H LYS A 17 1.331 7.381 0.667 1.00 0.00 H new ATOM 0 HA LYS A 17 2.026 4.730 0.182 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.567 6.679 0.215 1.00 0.00 H new ATOM 0 HB3 LYS A 17 3.374 6.804 1.953 1.00 0.00 H new ATOM 0 HG2 LYS A 17 4.417 4.592 2.258 1.00 0.00 H new ATOM 0 HG3 LYS A 17 4.542 4.386 0.522 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.028 6.368 0.375 1.00 0.00 H new ATOM 0 HD3 LYS A 17 5.875 6.627 2.102 1.00 0.00 H new ATOM 0 HE2 LYS A 17 6.905 4.414 2.542 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.020 4.111 0.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.104 4.917 1.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.528 5.956 0.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.349 6.378 2.218 1.00 0.00 H new ATOM 43 N SER A 18 1.638 3.330 2.164 1.00 0.00 N ATOM 44 CA SER A 18 1.422 2.462 3.315 1.00 0.00 C ATOM 45 C SER A 18 0.012 2.622 3.868 1.00 0.00 C ATOM 46 O SER A 18 -0.335 2.029 4.889 1.00 0.00 O ATOM 47 CB SER A 18 2.448 2.758 4.391 1.00 0.00 C ATOM 48 OG SER A 18 3.761 2.618 3.921 1.00 0.00 O ATOM 0 H SER A 18 1.720 2.837 1.275 1.00 0.00 H new ATOM 0 HA SER A 18 1.538 1.429 2.988 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.302 3.773 4.761 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.292 2.086 5.235 1.00 0.00 H new ATOM 0 HG SER A 18 4.391 2.819 4.645 1.00 0.00 H new ATOM 54 N ARG A 19 -0.798 3.425 3.186 1.00 0.00 N ATOM 55 CA ARG A 19 -2.202 3.579 3.545 1.00 0.00 C ATOM 56 C ARG A 19 -2.996 2.319 3.222 1.00 0.00 C ATOM 57 O ARG A 19 -3.833 1.882 4.012 1.00 0.00 O ATOM 58 CB ARG A 19 -2.826 4.810 2.903 1.00 0.00 C ATOM 59 CG ARG A 19 -4.271 5.073 3.296 1.00 0.00 C ATOM 60 CD ARG A 19 -4.829 6.343 2.764 1.00 0.00 C ATOM 61 NE ARG A 19 -6.212 6.595 3.135 1.00 0.00 N ATOM 62 CZ ARG A 19 -6.938 7.648 2.710 1.00 0.00 C ATOM 63 NH1 ARG A 19 -6.407 8.568 1.934 1.00 0.00 N ATOM 64 NH2 ARG A 19 -8.192 7.746 3.115 1.00 0.00 N ATOM 0 H ARG A 19 -0.505 3.979 2.381 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.242 3.731 4.624 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.228 5.682 3.167 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.773 4.703 1.820 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.887 4.245 2.946 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.343 5.086 4.384 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.215 7.171 3.117 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.754 6.331 1.677 1.00 0.00 H new ATOM 0 HE ARG A 19 -6.664 5.928 3.761 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.432 8.491 1.645 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.970 9.359 1.621 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -8.585 7.036 3.733 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.766 8.532 2.810 1.00 0.00 H new ATOM 78 N LEU A 20 -2.728 1.740 2.058 1.00 0.00 N ATOM 79 CA LEU A 20 -3.331 0.468 1.678 1.00 0.00 C ATOM 80 C LEU A 20 -3.027 -0.615 2.705 1.00 0.00 C ATOM 81 O LEU A 20 -3.866 -1.470 2.988 1.00 0.00 O ATOM 82 CB LEU A 20 -2.839 0.040 0.290 1.00 0.00 C ATOM 83 CG LEU A 20 -3.605 -1.128 -0.343 1.00 0.00 C ATOM 84 CD1 LEU A 20 -5.013 -0.687 -0.716 1.00 0.00 C ATOM 85 CD2 LEU A 20 -2.852 -1.625 -1.569 1.00 0.00 C ATOM 0 H LEU A 20 -2.096 2.132 1.360 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.412 0.604 1.644 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.899 0.898 -0.380 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.787 -0.234 0.364 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.683 -1.944 0.375 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.549 -1.523 -1.165 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.540 -0.356 0.179 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.960 0.135 -1.430 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.397 -2.455 -2.019 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.762 -0.816 -2.293 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.858 -1.961 -1.274 1.00 0.00 H new ATOM 97 N GLN A 21 -1.821 -0.574 3.263 1.00 0.00 N ATOM 98 CA GLN A 21 -1.403 -1.549 4.261 1.00 0.00 C ATOM 99 C GLN A 21 -2.162 -1.359 5.568 1.00 0.00 C ATOM 100 O GLN A 21 -2.581 -2.328 6.201 1.00 0.00 O ATOM 101 CB GLN A 21 0.102 -1.444 4.518 1.00 0.00 C ATOM 102 CG GLN A 21 0.966 -1.889 3.351 1.00 0.00 C ATOM 103 CD GLN A 21 2.444 -1.665 3.605 1.00 0.00 C ATOM 104 OE1 GLN A 21 2.832 -1.091 4.626 1.00 0.00 O ATOM 105 NE2 GLN A 21 3.278 -2.115 2.674 1.00 0.00 N ATOM 0 H GLN A 21 -1.115 0.127 3.039 1.00 0.00 H new ATOM 0 HA GLN A 21 -1.631 -2.540 3.869 1.00 0.00 H new ATOM 0 HB2 GLN A 21 0.346 -0.410 4.763 1.00 0.00 H new ATOM 0 HB3 GLN A 21 0.353 -2.046 5.391 1.00 0.00 H new ATOM 0 HG2 GLN A 21 0.790 -2.947 3.156 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.668 -1.345 2.454 1.00 0.00 H new ATOM 0 HE21 GLN A 21 2.912 -2.584 1.845 1.00 0.00 H new ATOM 0 HE22 GLN A 21 4.284 -1.992 2.788 1.00 0.00 H new ATOM 114 N GLU A 22 -2.337 -0.103 5.967 1.00 0.00 N ATOM 115 CA GLU A 22 -3.121 0.221 7.154 1.00 0.00 C ATOM 116 C GLU A 22 -4.525 -0.360 7.063 1.00 0.00 C ATOM 117 O GLU A 22 -4.982 -1.052 7.974 1.00 0.00 O ATOM 118 CB GLU A 22 -3.191 1.737 7.350 1.00 0.00 C ATOM 119 CG GLU A 22 -3.991 2.176 8.569 1.00 0.00 C ATOM 120 CD GLU A 22 -3.993 3.673 8.710 1.00 0.00 C ATOM 121 OE1 GLU A 22 -3.367 4.327 7.912 1.00 0.00 O ATOM 122 OE2 GLU A 22 -4.709 4.169 9.548 1.00 0.00 O ATOM 0 H GLU A 22 -1.946 0.707 5.486 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.624 -0.226 8.015 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.177 2.127 7.436 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.631 2.187 6.460 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.016 1.815 8.483 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.568 1.724 9.466 1.00 0.00 H new ATOM 129 N TYR A 23 -5.206 -0.077 5.958 1.00 0.00 N ATOM 130 CA TYR A 23 -6.567 -0.560 5.752 1.00 0.00 C ATOM 131 C TYR A 23 -6.599 -2.078 5.625 1.00 0.00 C ATOM 132 O TYR A 23 -7.527 -2.731 6.103 1.00 0.00 O ATOM 133 CB TYR A 23 -7.181 0.084 4.506 1.00 0.00 C ATOM 134 CG TYR A 23 -7.483 1.557 4.664 1.00 0.00 C ATOM 135 CD1 TYR A 23 -7.159 2.230 5.832 1.00 0.00 C ATOM 136 CD2 TYR A 23 -8.092 2.271 3.643 1.00 0.00 C ATOM 137 CE1 TYR A 23 -7.433 3.576 5.982 1.00 0.00 C ATOM 138 CE2 TYR A 23 -8.370 3.617 3.780 1.00 0.00 C ATOM 139 CZ TYR A 23 -8.040 4.267 4.952 1.00 0.00 C ATOM 140 OH TYR A 23 -8.315 5.607 5.094 1.00 0.00 O ATOM 0 H TYR A 23 -4.838 0.485 5.190 1.00 0.00 H new ATOM 0 HA TYR A 23 -7.157 -0.278 6.624 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -6.499 -0.049 3.666 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -8.102 -0.441 4.254 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -6.684 1.692 6.639 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.353 1.766 2.725 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -7.174 4.084 6.899 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -8.843 4.158 2.974 1.00 0.00 H new ATOM 0 HH TYR A 23 -7.653 6.016 5.690 1.00 0.00 H new ATOM 150 N ALA A 24 -5.581 -2.635 4.979 1.00 0.00 N ATOM 151 CA ALA A 24 -5.457 -4.081 4.844 1.00 0.00 C ATOM 152 C ALA A 24 -5.486 -4.765 6.205 1.00 0.00 C ATOM 153 O ALA A 24 -6.161 -5.777 6.388 1.00 0.00 O ATOM 154 CB ALA A 24 -4.181 -4.436 4.098 1.00 0.00 C ATOM 0 H ALA A 24 -4.828 -2.105 4.540 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.311 -4.440 4.269 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.103 -5.519 4.005 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.203 -3.988 3.105 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.320 -4.056 4.648 1.00 0.00 H new ATOM 160 N GLN A 25 -4.748 -4.205 7.158 1.00 0.00 N ATOM 161 CA GLN A 25 -4.728 -4.730 8.518 1.00 0.00 C ATOM 162 C GLN A 25 -6.087 -4.572 9.189 1.00 0.00 C ATOM 163 O GLN A 25 -6.544 -5.465 9.905 1.00 0.00 O ATOM 164 CB GLN A 25 -3.657 -4.021 9.351 1.00 0.00 C ATOM 165 CG GLN A 25 -2.232 -4.374 8.961 1.00 0.00 C ATOM 166 CD GLN A 25 -1.203 -3.561 9.723 1.00 0.00 C ATOM 167 OE1 GLN A 25 -1.551 -2.664 10.497 1.00 0.00 O ATOM 168 NE2 GLN A 25 0.071 -3.866 9.507 1.00 0.00 N ATOM 0 H GLN A 25 -4.156 -3.387 7.013 1.00 0.00 H new ATOM 0 HA GLN A 25 -4.492 -5.792 8.459 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.792 -2.944 9.255 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -3.806 -4.269 10.402 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -2.061 -5.435 9.145 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -2.100 -4.210 7.891 1.00 0.00 H new ATOM 0 HE21 GLN A 25 0.313 -4.615 8.859 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.808 -3.351 9.990 1.00 0.00 H new ATOM 177 N LYS A 26 -6.729 -3.433 8.955 1.00 0.00 N ATOM 178 CA LYS A 26 -8.031 -3.151 9.546 1.00 0.00 C ATOM 179 C LYS A 26 -9.106 -4.064 8.971 1.00 0.00 C ATOM 180 O LYS A 26 -10.073 -4.407 9.652 1.00 0.00 O ATOM 181 CB LYS A 26 -8.414 -1.686 9.327 1.00 0.00 C ATOM 182 CG LYS A 26 -7.577 -0.693 10.122 1.00 0.00 C ATOM 183 CD LYS A 26 -7.981 0.741 9.814 1.00 0.00 C ATOM 184 CE LYS A 26 -7.169 1.734 10.633 1.00 0.00 C ATOM 185 NZ LYS A 26 -7.550 3.142 10.338 1.00 0.00 N ATOM 0 H LYS A 26 -6.368 -2.689 8.359 1.00 0.00 H new ATOM 0 HA LYS A 26 -7.958 -3.341 10.617 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.322 -1.453 8.266 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -9.463 -1.553 9.592 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -7.696 -0.886 11.188 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.522 -0.834 9.888 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.839 0.941 8.752 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -9.042 0.875 10.024 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -7.315 1.534 11.694 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.108 1.594 10.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -6.707 3.675 10.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -8.256 3.158 9.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.954 3.578 11.191 1.00 0.00 H new ATOM 199 N TYR A 27 -8.932 -4.455 7.713 1.00 0.00 N ATOM 200 CA TYR A 27 -9.961 -5.195 6.991 1.00 0.00 C ATOM 201 C TYR A 27 -9.632 -6.681 6.933 1.00 0.00 C ATOM 202 O TYR A 27 -10.266 -7.438 6.197 1.00 0.00 O ATOM 203 CB TYR A 27 -10.128 -4.637 5.576 1.00 0.00 C ATOM 204 CG TYR A 27 -10.593 -3.199 5.534 1.00 0.00 C ATOM 205 CD1 TYR A 27 -11.137 -2.594 6.657 1.00 0.00 C ATOM 206 CD2 TYR A 27 -10.485 -2.450 4.372 1.00 0.00 C ATOM 207 CE1 TYR A 27 -11.564 -1.279 6.625 1.00 0.00 C ATOM 208 CE2 TYR A 27 -10.908 -1.135 4.328 1.00 0.00 C ATOM 209 CZ TYR A 27 -11.448 -0.554 5.457 1.00 0.00 C ATOM 210 OH TYR A 27 -11.870 0.755 5.418 1.00 0.00 O ATOM 0 H TYR A 27 -8.087 -4.272 7.172 1.00 0.00 H new ATOM 0 HA TYR A 27 -10.900 -5.075 7.532 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -9.176 -4.716 5.050 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -10.844 -5.256 5.034 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -11.229 -3.160 7.572 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -10.063 -2.902 3.486 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -11.985 -0.823 7.508 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -10.816 -0.565 3.415 1.00 0.00 H new ATOM 0 HH TYR A 27 -11.717 1.122 4.522 1.00 0.00 H new ATOM 220 N LYS A 28 -8.638 -7.094 7.711 1.00 0.00 N ATOM 221 CA LYS A 28 -8.225 -8.491 7.751 1.00 0.00 C ATOM 222 C LYS A 28 -7.893 -9.007 6.357 1.00 0.00 C ATOM 223 O LYS A 28 -8.211 -10.146 6.014 1.00 0.00 O ATOM 224 CB LYS A 28 -9.318 -9.354 8.385 1.00 0.00 C ATOM 225 CG LYS A 28 -9.672 -8.971 9.815 1.00 0.00 C ATOM 226 CD LYS A 28 -10.746 -9.885 10.383 1.00 0.00 C ATOM 227 CE LYS A 28 -11.151 -9.459 11.787 1.00 0.00 C ATOM 228 NZ LYS A 28 -12.264 -10.291 12.321 1.00 0.00 N ATOM 0 H LYS A 28 -8.102 -6.479 8.324 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.324 -8.555 8.361 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.217 -9.289 7.771 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.996 -10.395 8.370 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.780 -9.023 10.439 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.019 -7.938 9.842 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.619 -9.872 9.731 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -10.379 -10.911 10.404 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.290 -9.535 12.452 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.454 -8.412 11.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.510 -9.969 13.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -13.094 -10.199 11.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.967 -11.287 12.357 1.00 0.00 H new ATOM 242 N LEU A 29 -7.251 -8.163 5.557 1.00 0.00 N ATOM 243 CA LEU A 29 -6.850 -8.542 4.206 1.00 0.00 C ATOM 244 C LEU A 29 -5.387 -8.962 4.164 1.00 0.00 C ATOM 245 O LEU A 29 -4.578 -8.512 4.975 1.00 0.00 O ATOM 246 CB LEU A 29 -7.101 -7.383 3.235 1.00 0.00 C ATOM 247 CG LEU A 29 -8.557 -6.905 3.149 1.00 0.00 C ATOM 248 CD1 LEU A 29 -8.659 -5.705 2.218 1.00 0.00 C ATOM 249 CD2 LEU A 29 -9.439 -8.044 2.661 1.00 0.00 C ATOM 0 H LEU A 29 -6.997 -7.211 5.820 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.453 -9.397 3.900 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -6.476 -6.541 3.531 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.776 -7.687 2.240 1.00 0.00 H new ATOM 0 HG LEU A 29 -8.897 -6.598 4.138 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -9.696 -5.374 2.164 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -8.038 -4.894 2.600 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.316 -5.987 1.223 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -10.473 -7.703 2.600 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -9.105 -8.366 1.675 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -9.373 -8.880 3.358 1.00 0.00 H new ATOM 261 N PRO A 30 -5.053 -9.828 3.213 1.00 0.00 N ATOM 262 CA PRO A 30 -3.674 -10.259 3.020 1.00 0.00 C ATOM 263 C PRO A 30 -2.755 -9.072 2.754 1.00 0.00 C ATOM 264 O PRO A 30 -3.191 -8.045 2.233 1.00 0.00 O ATOM 265 CB PRO A 30 -3.743 -11.216 1.818 1.00 0.00 C ATOM 266 CG PRO A 30 -5.163 -11.713 1.800 1.00 0.00 C ATOM 267 CD PRO A 30 -5.953 -10.370 2.186 1.00 0.00 C ATOM 0 HA PRO A 30 -3.258 -10.744 3.903 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.492 -10.703 0.890 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -3.037 -12.040 1.928 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -5.454 -12.098 0.823 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -5.330 -12.513 2.521 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.069 -9.697 1.337 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -6.952 -10.571 2.572 1.00 0.00 H new ATOM 275 N THR A 31 -1.487 -9.219 3.115 1.00 0.00 N ATOM 276 CA THR A 31 -0.501 -8.167 2.894 1.00 0.00 C ATOM 277 C THR A 31 -0.334 -7.874 1.409 1.00 0.00 C ATOM 278 O THR A 31 -0.066 -8.775 0.614 1.00 0.00 O ATOM 279 CB THR A 31 0.869 -8.543 3.490 1.00 0.00 C ATOM 280 OG1 THR A 31 0.730 -8.789 4.895 1.00 0.00 O ATOM 281 CG2 THR A 31 1.871 -7.420 3.272 1.00 0.00 C ATOM 0 H THR A 31 -1.116 -10.057 3.563 1.00 0.00 H new ATOM 0 HA THR A 31 -0.874 -7.275 3.398 1.00 0.00 H new ATOM 0 HB THR A 31 1.232 -9.442 2.991 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.602 -9.030 5.273 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.833 -7.703 3.699 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.988 -7.239 2.204 1.00 0.00 H new ATOM 0 HG23 THR A 31 1.511 -6.512 3.757 1.00 0.00 H new ATOM 289 N PRO A 32 -0.492 -6.606 1.040 1.00 0.00 N ATOM 290 CA PRO A 32 -0.432 -6.203 -0.359 1.00 0.00 C ATOM 291 C PRO A 32 0.969 -6.388 -0.926 1.00 0.00 C ATOM 292 O PRO A 32 1.964 -6.173 -0.233 1.00 0.00 O ATOM 293 CB PRO A 32 -0.859 -4.725 -0.343 1.00 0.00 C ATOM 294 CG PRO A 32 -0.525 -4.241 1.042 1.00 0.00 C ATOM 295 CD PRO A 32 -0.838 -5.488 1.927 1.00 0.00 C ATOM 0 HA PRO A 32 -1.076 -6.805 -1.000 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -0.326 -4.151 -1.101 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -1.923 -4.619 -0.553 1.00 0.00 H new ATOM 0 HG2 PRO A 32 0.519 -3.938 1.124 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -1.130 -3.380 1.327 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -0.243 -5.496 2.840 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -1.885 -5.519 2.228 1.00 0.00 H new ATOM 303 N VAL A 33 1.042 -6.790 -2.192 1.00 0.00 N ATOM 304 CA VAL A 33 2.323 -6.994 -2.857 1.00 0.00 C ATOM 305 C VAL A 33 2.544 -5.960 -3.955 1.00 0.00 C ATOM 306 O VAL A 33 1.680 -5.750 -4.805 1.00 0.00 O ATOM 307 CB VAL A 33 2.424 -8.404 -3.468 1.00 0.00 C ATOM 308 CG1 VAL A 33 3.747 -8.575 -4.199 1.00 0.00 C ATOM 309 CG2 VAL A 33 2.271 -9.465 -2.388 1.00 0.00 C ATOM 0 H VAL A 33 0.228 -6.981 -2.777 1.00 0.00 H new ATOM 0 HA VAL A 33 3.094 -6.882 -2.095 1.00 0.00 H new ATOM 0 HB VAL A 33 1.615 -8.526 -4.188 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.801 -9.577 -4.624 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.819 -7.837 -4.998 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.570 -8.433 -3.499 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.345 -10.455 -2.838 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.059 -9.344 -1.645 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.299 -9.357 -1.907 1.00 0.00 H new ATOM 319 N TYR A 34 3.706 -5.316 -3.928 1.00 0.00 N ATOM 320 CA TYR A 34 4.021 -4.265 -4.888 1.00 0.00 C ATOM 321 C TYR A 34 5.095 -4.718 -5.868 1.00 0.00 C ATOM 322 O TYR A 34 6.203 -5.076 -5.467 1.00 0.00 O ATOM 323 CB TYR A 34 4.474 -2.997 -4.162 1.00 0.00 C ATOM 324 CG TYR A 34 3.386 -2.335 -3.345 1.00 0.00 C ATOM 325 CD1 TYR A 34 3.037 -2.824 -2.095 1.00 0.00 C ATOM 326 CD2 TYR A 34 2.712 -1.224 -3.827 1.00 0.00 C ATOM 327 CE1 TYR A 34 2.044 -2.226 -1.344 1.00 0.00 C ATOM 328 CE2 TYR A 34 1.718 -0.615 -3.085 1.00 0.00 C ATOM 329 CZ TYR A 34 1.387 -1.119 -1.843 1.00 0.00 C ATOM 330 OH TYR A 34 0.398 -0.517 -1.100 1.00 0.00 O ATOM 0 H TYR A 34 4.446 -5.504 -3.251 1.00 0.00 H new ATOM 0 HA TYR A 34 3.115 -4.046 -5.453 1.00 0.00 H new ATOM 0 HB2 TYR A 34 5.308 -3.245 -3.505 1.00 0.00 H new ATOM 0 HB3 TYR A 34 4.848 -2.284 -4.897 1.00 0.00 H new ATOM 0 HD1 TYR A 34 3.551 -3.688 -1.702 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.968 -0.828 -4.799 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.783 -2.622 -0.373 1.00 0.00 H new ATOM 0 HE2 TYR A 34 1.203 0.251 -3.475 1.00 0.00 H new ATOM 0 HH TYR A 34 0.586 -0.638 -0.146 1.00 0.00 H new ATOM 340 N GLU A 35 4.762 -4.701 -7.155 1.00 0.00 N ATOM 341 CA GLU A 35 5.714 -5.059 -8.197 1.00 0.00 C ATOM 342 C GLU A 35 6.026 -3.866 -9.092 1.00 0.00 C ATOM 343 O GLU A 35 5.126 -3.134 -9.501 1.00 0.00 O ATOM 344 CB GLU A 35 5.177 -6.220 -9.038 1.00 0.00 C ATOM 345 CG GLU A 35 5.032 -7.531 -8.279 1.00 0.00 C ATOM 346 CD GLU A 35 4.569 -8.639 -9.185 1.00 0.00 C ATOM 347 OE1 GLU A 35 4.356 -8.381 -10.345 1.00 0.00 O ATOM 348 OE2 GLU A 35 4.536 -9.764 -8.745 1.00 0.00 O ATOM 0 H GLU A 35 3.838 -4.442 -7.500 1.00 0.00 H new ATOM 0 HA GLU A 35 6.638 -5.371 -7.710 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.205 -5.940 -9.444 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.843 -6.377 -9.886 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.988 -7.801 -7.830 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.321 -7.404 -7.463 1.00 0.00 H new ATOM 355 N ILE A 36 7.307 -3.677 -9.391 1.00 0.00 N ATOM 356 CA ILE A 36 7.746 -2.543 -10.194 1.00 0.00 C ATOM 357 C ILE A 36 8.301 -3.000 -11.537 1.00 0.00 C ATOM 358 O ILE A 36 9.189 -3.851 -11.595 1.00 0.00 O ATOM 359 CB ILE A 36 8.817 -1.713 -9.463 1.00 0.00 C ATOM 360 CG1 ILE A 36 8.289 -1.237 -8.107 1.00 0.00 C ATOM 361 CG2 ILE A 36 9.248 -0.529 -10.316 1.00 0.00 C ATOM 362 CD1 ILE A 36 7.103 -0.305 -8.207 1.00 0.00 C ATOM 0 H ILE A 36 8.060 -4.296 -9.089 1.00 0.00 H new ATOM 0 HA ILE A 36 6.868 -1.919 -10.361 1.00 0.00 H new ATOM 0 HB ILE A 36 9.688 -2.345 -9.291 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.007 -2.106 -7.512 1.00 0.00 H new ATOM 0 HG13 ILE A 36 9.093 -0.731 -7.572 1.00 0.00 H new ATOM 0 HG21 ILE A 36 10.005 0.046 -9.784 1.00 0.00 H new ATOM 0 HG22 ILE A 36 9.662 -0.890 -11.257 1.00 0.00 H new ATOM 0 HG23 ILE A 36 8.386 0.106 -10.519 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.786 -0.011 -7.206 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.384 0.582 -8.774 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.282 -0.814 -8.713 1.00 0.00 H new ATOM 374 N VAL A 37 7.773 -2.430 -12.615 1.00 0.00 N ATOM 375 CA VAL A 37 8.224 -2.769 -13.960 1.00 0.00 C ATOM 376 C VAL A 37 8.917 -1.583 -14.623 1.00 0.00 C ATOM 377 O VAL A 37 8.359 -0.489 -14.696 1.00 0.00 O ATOM 378 CB VAL A 37 7.055 -3.231 -14.850 1.00 0.00 C ATOM 379 CG1 VAL A 37 7.548 -3.554 -16.252 1.00 0.00 C ATOM 380 CG2 VAL A 37 6.366 -4.440 -14.237 1.00 0.00 C ATOM 0 H VAL A 37 7.031 -1.730 -12.583 1.00 0.00 H new ATOM 0 HA VAL A 37 8.934 -3.590 -13.856 1.00 0.00 H new ATOM 0 HB VAL A 37 6.332 -2.419 -14.918 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.709 -3.879 -16.867 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.998 -2.665 -16.693 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.291 -4.350 -16.202 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.542 -4.754 -14.878 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.082 -5.256 -14.140 1.00 0.00 H new ATOM 0 HG23 VAL A 37 5.979 -4.178 -13.252 1.00 0.00 H new ATOM 390 N LYS A 38 10.134 -1.810 -15.105 1.00 0.00 N ATOM 391 CA LYS A 38 10.898 -0.766 -15.775 1.00 0.00 C ATOM 392 C LYS A 38 10.974 -1.015 -17.276 1.00 0.00 C ATOM 393 O LYS A 38 11.495 -2.039 -17.719 1.00 0.00 O ATOM 394 CB LYS A 38 12.307 -0.671 -15.186 1.00 0.00 C ATOM 395 CG LYS A 38 13.161 0.445 -15.774 1.00 0.00 C ATOM 396 CD LYS A 38 14.563 0.436 -15.185 1.00 0.00 C ATOM 397 CE LYS A 38 15.419 1.547 -15.774 1.00 0.00 C ATOM 398 NZ LYS A 38 16.792 1.558 -15.200 1.00 0.00 N ATOM 0 H LYS A 38 10.612 -2.709 -15.044 1.00 0.00 H new ATOM 0 HA LYS A 38 10.382 0.180 -15.613 1.00 0.00 H new ATOM 0 HB2 LYS A 38 12.228 -0.523 -14.109 1.00 0.00 H new ATOM 0 HB3 LYS A 38 12.817 -1.622 -15.340 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.218 0.330 -16.856 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.689 1.408 -15.580 1.00 0.00 H new ATOM 0 HD2 LYS A 38 14.506 0.554 -14.103 1.00 0.00 H new ATOM 0 HD3 LYS A 38 15.034 -0.528 -15.376 1.00 0.00 H new ATOM 0 HE2 LYS A 38 15.479 1.423 -16.855 1.00 0.00 H new ATOM 0 HE3 LYS A 38 14.941 2.509 -15.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 17.341 2.330 -15.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 16.737 1.702 -14.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 17.258 0.650 -15.398 1.00 0.00 H new ATOM 412 N GLU A 39 10.451 -0.075 -18.054 1.00 0.00 N ATOM 413 CA GLU A 39 10.434 -0.203 -19.507 1.00 0.00 C ATOM 414 C GLU A 39 10.969 1.054 -20.178 1.00 0.00 C ATOM 415 O GLU A 39 11.081 2.107 -19.547 1.00 0.00 O ATOM 416 CB GLU A 39 9.017 -0.502 -20.002 1.00 0.00 C ATOM 417 CG GLU A 39 8.463 -1.844 -19.548 1.00 0.00 C ATOM 418 CD GLU A 39 7.086 -2.082 -20.103 1.00 0.00 C ATOM 419 OE1 GLU A 39 6.601 -1.241 -20.821 1.00 0.00 O ATOM 420 OE2 GLU A 39 6.563 -3.153 -19.901 1.00 0.00 O ATOM 0 H GLU A 39 10.032 0.786 -17.703 1.00 0.00 H new ATOM 0 HA GLU A 39 11.086 -1.035 -19.775 1.00 0.00 H new ATOM 0 HB2 GLU A 39 8.350 0.288 -19.657 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.012 -0.470 -21.092 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.130 -2.643 -19.870 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.429 -1.876 -18.459 1.00 0.00 H new ATOM 427 N GLY A 40 11.298 0.942 -21.460 1.00 0.00 N ATOM 428 CA GLY A 40 11.729 2.092 -22.244 1.00 0.00 C ATOM 429 C GLY A 40 13.247 2.127 -22.382 1.00 0.00 C ATOM 430 O GLY A 40 13.941 1.211 -21.941 1.00 0.00 O ATOM 0 H GLY A 40 11.274 0.064 -21.979 1.00 0.00 H new ATOM 0 HA2 GLY A 40 11.272 2.053 -23.233 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.383 3.010 -21.769 1.00 0.00 H new ATOM 434 N PRO A 41 13.756 3.190 -22.997 1.00 0.00 N ATOM 435 CA PRO A 41 15.190 3.337 -23.211 1.00 0.00 C ATOM 436 C PRO A 41 15.929 3.510 -21.891 1.00 0.00 C ATOM 437 O PRO A 41 15.355 3.962 -20.901 1.00 0.00 O ATOM 438 CB PRO A 41 15.310 4.580 -24.109 1.00 0.00 C ATOM 439 CG PRO A 41 13.960 4.721 -24.758 1.00 0.00 C ATOM 440 CD PRO A 41 12.987 4.279 -23.614 1.00 0.00 C ATOM 0 HA PRO A 41 15.641 2.458 -23.671 1.00 0.00 H new ATOM 0 HB2 PRO A 41 15.562 5.466 -23.526 1.00 0.00 H new ATOM 0 HB3 PRO A 41 16.095 4.455 -24.854 1.00 0.00 H new ATOM 0 HG2 PRO A 41 13.769 5.745 -25.080 1.00 0.00 H new ATOM 0 HG3 PRO A 41 13.865 4.087 -25.639 1.00 0.00 H new ATOM 0 HD2 PRO A 41 12.781 5.087 -22.912 1.00 0.00 H new ATOM 0 HD3 PRO A 41 12.026 3.938 -23.999 1.00 0.00 H new ATOM 448 N SER A 42 17.208 3.148 -21.884 1.00 0.00 N ATOM 449 CA SER A 42 18.022 3.235 -20.677 1.00 0.00 C ATOM 450 C SER A 42 18.174 4.679 -20.218 1.00 0.00 C ATOM 451 O SER A 42 18.481 4.943 -19.055 1.00 0.00 O ATOM 452 CB SER A 42 19.382 2.611 -20.918 1.00 0.00 C ATOM 453 OG SER A 42 20.135 3.335 -21.853 1.00 0.00 O ATOM 0 H SER A 42 17.703 2.791 -22.701 1.00 0.00 H new ATOM 0 HA SER A 42 17.515 2.684 -19.885 1.00 0.00 H new ATOM 0 HB2 SER A 42 19.928 2.558 -19.976 1.00 0.00 H new ATOM 0 HB3 SER A 42 19.254 1.588 -21.270 1.00 0.00 H new ATOM 0 HG SER A 42 21.005 2.901 -21.979 1.00 0.00 H new ATOM 459 N HIS A 43 17.958 5.613 -21.139 1.00 0.00 N ATOM 460 CA HIS A 43 18.085 7.033 -20.834 1.00 0.00 C ATOM 461 C HIS A 43 16.720 7.700 -20.734 1.00 0.00 C ATOM 462 O HIS A 43 16.590 8.791 -20.177 1.00 0.00 O ATOM 463 CB HIS A 43 18.937 7.740 -21.894 1.00 0.00 C ATOM 464 CG HIS A 43 20.350 7.248 -21.956 1.00 0.00 C ATOM 465 ND1 HIS A 43 21.259 7.467 -20.943 1.00 0.00 N ATOM 466 CD2 HIS A 43 21.009 6.550 -22.911 1.00 0.00 C ATOM 467 CE1 HIS A 43 22.418 6.924 -21.271 1.00 0.00 C ATOM 468 NE2 HIS A 43 22.292 6.362 -22.460 1.00 0.00 N ATOM 0 H HIS A 43 17.694 5.411 -22.103 1.00 0.00 H new ATOM 0 HA HIS A 43 18.580 7.119 -19.867 1.00 0.00 H new ATOM 0 HB2 HIS A 43 18.472 7.606 -22.870 1.00 0.00 H new ATOM 0 HB3 HIS A 43 18.943 8.810 -21.688 1.00 0.00 H new ATOM 0 HD2 HIS A 43 20.602 6.206 -23.850 1.00 0.00 H new ATOM 0 HE1 HIS A 43 23.315 6.937 -20.670 1.00 0.00 H new ATOM 0 HE2 HIS A 43 23.030 5.868 -22.962 1.00 0.00 H new ATOM 476 N LYS A 44 15.703 7.039 -21.277 1.00 0.00 N ATOM 477 CA LYS A 44 14.343 7.564 -21.243 1.00 0.00 C ATOM 478 C LYS A 44 13.377 6.549 -20.645 1.00 0.00 C ATOM 479 O LYS A 44 12.255 6.386 -21.128 1.00 0.00 O ATOM 480 CB LYS A 44 13.887 7.959 -22.648 1.00 0.00 C ATOM 481 CG LYS A 44 14.630 9.150 -23.239 1.00 0.00 C ATOM 482 CD LYS A 44 14.086 9.516 -24.612 1.00 0.00 C ATOM 483 CE LYS A 44 14.925 10.602 -25.269 1.00 0.00 C ATOM 484 NZ LYS A 44 14.432 10.940 -26.631 1.00 0.00 N ATOM 0 H LYS A 44 15.795 6.138 -21.746 1.00 0.00 H new ATOM 0 HA LYS A 44 14.343 8.450 -20.609 1.00 0.00 H new ATOM 0 HB2 LYS A 44 14.012 7.103 -23.311 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.822 8.188 -22.620 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.540 10.006 -22.570 1.00 0.00 H new ATOM 0 HG3 LYS A 44 15.692 8.917 -23.317 1.00 0.00 H new ATOM 0 HD2 LYS A 44 14.072 8.631 -25.247 1.00 0.00 H new ATOM 0 HD3 LYS A 44 13.055 9.857 -24.518 1.00 0.00 H new ATOM 0 HE2 LYS A 44 14.912 11.497 -24.646 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.962 10.272 -25.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 15.031 11.684 -27.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 14.468 10.093 -27.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 13.451 11.280 -26.571 1.00 0.00 H new ATOM 498 N SER A 45 13.816 5.870 -19.592 1.00 0.00 N ATOM 499 CA SER A 45 13.043 4.783 -19.003 1.00 0.00 C ATOM 500 C SER A 45 11.871 5.317 -18.190 1.00 0.00 C ATOM 501 O SER A 45 11.954 6.397 -17.600 1.00 0.00 O ATOM 502 CB SER A 45 13.936 3.918 -18.136 1.00 0.00 C ATOM 503 OG SER A 45 14.403 4.606 -17.008 1.00 0.00 O ATOM 0 H SER A 45 14.705 6.053 -19.127 1.00 0.00 H new ATOM 0 HA SER A 45 12.639 4.176 -19.813 1.00 0.00 H new ATOM 0 HB2 SER A 45 13.384 3.033 -17.818 1.00 0.00 H new ATOM 0 HB3 SER A 45 14.785 3.570 -18.725 1.00 0.00 H new ATOM 0 HG SER A 45 15.340 4.370 -16.846 1.00 0.00 H new ATOM 509 N LEU A 46 10.781 4.561 -18.161 1.00 0.00 N ATOM 510 CA LEU A 46 9.645 4.884 -17.308 1.00 0.00 C ATOM 511 C LEU A 46 9.242 3.691 -16.452 1.00 0.00 C ATOM 512 O LEU A 46 9.366 2.541 -16.873 1.00 0.00 O ATOM 513 CB LEU A 46 8.458 5.353 -18.159 1.00 0.00 C ATOM 514 CG LEU A 46 8.706 6.627 -18.978 1.00 0.00 C ATOM 515 CD1 LEU A 46 7.525 6.890 -19.903 1.00 0.00 C ATOM 516 CD2 LEU A 46 8.928 7.802 -18.038 1.00 0.00 C ATOM 0 H LEU A 46 10.660 3.717 -18.721 1.00 0.00 H new ATOM 0 HA LEU A 46 9.944 5.692 -16.640 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.180 4.550 -18.841 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.605 5.522 -17.502 1.00 0.00 H new ATOM 0 HG LEU A 46 9.598 6.497 -19.591 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.710 7.796 -20.480 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.400 6.046 -20.582 1.00 0.00 H new ATOM 0 HD13 LEU A 46 6.619 7.016 -19.310 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.104 8.706 -18.621 1.00 0.00 H new ATOM 0 HD22 LEU A 46 8.046 7.939 -17.413 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.794 7.604 -17.406 1.00 0.00 H new ATOM 528 N PHE A 47 8.760 3.972 -15.246 1.00 0.00 N ATOM 529 CA PHE A 47 8.355 2.921 -14.318 1.00 0.00 C ATOM 530 C PHE A 47 6.839 2.771 -14.283 1.00 0.00 C ATOM 531 O PHE A 47 6.106 3.738 -14.488 1.00 0.00 O ATOM 532 CB PHE A 47 8.887 3.212 -12.914 1.00 0.00 C ATOM 533 CG PHE A 47 10.384 3.135 -12.806 1.00 0.00 C ATOM 534 CD1 PHE A 47 11.017 1.920 -12.591 1.00 0.00 C ATOM 535 CD2 PHE A 47 11.162 4.277 -12.920 1.00 0.00 C ATOM 536 CE1 PHE A 47 12.392 1.847 -12.490 1.00 0.00 C ATOM 537 CE2 PHE A 47 12.538 4.207 -12.822 1.00 0.00 C ATOM 538 CZ PHE A 47 13.154 2.993 -12.606 1.00 0.00 C ATOM 0 H PHE A 47 8.640 4.919 -14.888 1.00 0.00 H new ATOM 0 HA PHE A 47 8.782 1.982 -14.671 1.00 0.00 H new ATOM 0 HB2 PHE A 47 8.561 4.207 -12.611 1.00 0.00 H new ATOM 0 HB3 PHE A 47 8.444 2.504 -12.214 1.00 0.00 H new ATOM 0 HD1 PHE A 47 10.427 1.020 -12.501 1.00 0.00 H new ATOM 0 HD2 PHE A 47 10.687 5.232 -13.087 1.00 0.00 H new ATOM 0 HE1 PHE A 47 12.871 0.894 -12.320 1.00 0.00 H new ATOM 0 HE2 PHE A 47 13.132 5.104 -12.915 1.00 0.00 H new ATOM 0 HZ PHE A 47 14.230 2.938 -12.528 1.00 0.00 H new ATOM 548 N GLN A 48 6.375 1.554 -14.021 1.00 0.00 N ATOM 549 CA GLN A 48 4.958 1.309 -13.779 1.00 0.00 C ATOM 550 C GLN A 48 4.758 0.261 -12.693 1.00 0.00 C ATOM 551 O GLN A 48 5.426 -0.774 -12.685 1.00 0.00 O ATOM 552 CB GLN A 48 4.264 0.858 -15.066 1.00 0.00 C ATOM 553 CG GLN A 48 2.756 0.728 -14.948 1.00 0.00 C ATOM 554 CD GLN A 48 2.124 0.149 -16.199 1.00 0.00 C ATOM 555 OE1 GLN A 48 2.818 -0.194 -17.159 1.00 0.00 O ATOM 556 NE2 GLN A 48 0.801 0.038 -16.196 1.00 0.00 N ATOM 0 H GLN A 48 6.961 0.720 -13.971 1.00 0.00 H new ATOM 0 HA GLN A 48 4.514 2.245 -13.442 1.00 0.00 H new ATOM 0 HB2 GLN A 48 4.495 1.570 -15.859 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.677 -0.103 -15.371 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.515 0.093 -14.096 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.325 1.709 -14.747 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.266 0.334 -15.380 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.319 -0.344 -17.010 1.00 0.00 H new ATOM 565 N SER A 49 3.837 0.533 -11.775 1.00 0.00 N ATOM 566 CA SER A 49 3.671 -0.291 -10.585 1.00 0.00 C ATOM 567 C SER A 49 2.363 -1.069 -10.631 1.00 0.00 C ATOM 568 O SER A 49 1.321 -0.530 -11.005 1.00 0.00 O ATOM 569 CB SER A 49 3.730 0.571 -9.339 1.00 0.00 C ATOM 570 OG SER A 49 3.456 -0.163 -8.177 1.00 0.00 O ATOM 0 H SER A 49 3.192 1.321 -11.833 1.00 0.00 H new ATOM 0 HA SER A 49 4.488 -1.012 -10.556 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.719 1.022 -9.257 1.00 0.00 H new ATOM 0 HB3 SER A 49 3.013 1.387 -9.429 1.00 0.00 H new ATOM 0 HG SER A 49 3.506 0.428 -7.397 1.00 0.00 H new ATOM 576 N THR A 50 2.421 -2.341 -10.248 1.00 0.00 N ATOM 577 CA THR A 50 1.217 -3.133 -10.037 1.00 0.00 C ATOM 578 C THR A 50 1.143 -3.653 -8.606 1.00 0.00 C ATOM 579 O THR A 50 2.068 -4.307 -8.125 1.00 0.00 O ATOM 580 CB THR A 50 1.147 -4.325 -11.009 1.00 0.00 C ATOM 581 OG1 THR A 50 1.109 -3.843 -12.358 1.00 0.00 O ATOM 582 CG2 THR A 50 -0.096 -5.161 -10.740 1.00 0.00 C ATOM 0 H THR A 50 3.291 -2.845 -10.078 1.00 0.00 H new ATOM 0 HA THR A 50 0.370 -2.473 -10.225 1.00 0.00 H new ATOM 0 HB THR A 50 2.030 -4.946 -10.861 1.00 0.00 H new ATOM 0 HG1 THR A 50 0.212 -3.977 -12.728 1.00 0.00 H new ATOM 0 HG21 THR A 50 -0.129 -5.999 -11.436 1.00 0.00 H new ATOM 0 HG22 THR A 50 -0.066 -5.539 -9.718 1.00 0.00 H new ATOM 0 HG23 THR A 50 -0.985 -4.544 -10.872 1.00 0.00 H new ATOM 590 N VAL A 51 0.038 -3.358 -7.931 1.00 0.00 N ATOM 591 CA VAL A 51 -0.150 -3.780 -6.547 1.00 0.00 C ATOM 592 C VAL A 51 -1.271 -4.804 -6.432 1.00 0.00 C ATOM 593 O VAL A 51 -2.333 -4.647 -7.031 1.00 0.00 O ATOM 594 CB VAL A 51 -0.464 -2.583 -5.630 1.00 0.00 C ATOM 595 CG1 VAL A 51 -1.744 -1.892 -6.076 1.00 0.00 C ATOM 596 CG2 VAL A 51 -0.582 -3.037 -4.183 1.00 0.00 C ATOM 0 H VAL A 51 -0.742 -2.828 -8.319 1.00 0.00 H new ATOM 0 HA VAL A 51 0.787 -4.235 -6.226 1.00 0.00 H new ATOM 0 HB VAL A 51 0.357 -1.870 -5.702 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.951 -1.049 -5.417 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.627 -1.533 -7.099 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.573 -2.598 -6.032 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.804 -2.178 -3.549 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.384 -3.770 -4.096 1.00 0.00 H new ATOM 0 HG23 VAL A 51 0.358 -3.489 -3.866 1.00 0.00 H new ATOM 606 N ILE A 52 -1.025 -5.855 -5.656 1.00 0.00 N ATOM 607 CA ILE A 52 -1.993 -6.935 -5.502 1.00 0.00 C ATOM 608 C ILE A 52 -2.486 -7.033 -4.064 1.00 0.00 C ATOM 609 O ILE A 52 -1.694 -7.195 -3.136 1.00 0.00 O ATOM 610 CB ILE A 52 -1.397 -8.291 -5.923 1.00 0.00 C ATOM 611 CG1 ILE A 52 -0.912 -8.233 -7.375 1.00 0.00 C ATOM 612 CG2 ILE A 52 -2.422 -9.400 -5.745 1.00 0.00 C ATOM 613 CD1 ILE A 52 -0.183 -9.477 -7.826 1.00 0.00 C ATOM 0 H ILE A 52 -0.164 -5.982 -5.124 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.833 -6.699 -6.155 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.542 -8.508 -5.283 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.769 -8.069 -8.028 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.252 -7.374 -7.493 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.985 -10.352 -6.047 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.721 -9.454 -4.698 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.296 -9.190 -6.362 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.129 -9.360 -8.864 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.695 -9.632 -7.199 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.846 -10.338 -7.741 1.00 0.00 H new ATOM 625 N LEU A 53 -3.799 -6.933 -3.887 1.00 0.00 N ATOM 626 CA LEU A 53 -4.403 -7.034 -2.563 1.00 0.00 C ATOM 627 C LEU A 53 -5.597 -7.980 -2.574 1.00 0.00 C ATOM 628 O LEU A 53 -6.511 -7.832 -3.384 1.00 0.00 O ATOM 629 CB LEU A 53 -4.825 -5.646 -2.066 1.00 0.00 C ATOM 630 CG LEU A 53 -5.532 -5.627 -0.705 1.00 0.00 C ATOM 631 CD1 LEU A 53 -4.568 -6.063 0.390 1.00 0.00 C ATOM 632 CD2 LEU A 53 -6.066 -4.229 -0.428 1.00 0.00 C ATOM 0 H LEU A 53 -4.466 -6.782 -4.644 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.658 -7.442 -1.880 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.939 -5.014 -2.006 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.486 -5.198 -2.807 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.369 -6.325 -0.721 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.079 -6.046 1.353 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.216 -7.074 0.184 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.718 -5.382 0.419 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.568 -4.216 0.539 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.239 -3.519 -0.417 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.774 -3.949 -1.208 1.00 0.00 H new ATOM 644 N ASP A 54 -5.583 -8.952 -1.667 1.00 0.00 N ATOM 645 CA ASP A 54 -6.650 -9.942 -1.589 1.00 0.00 C ATOM 646 C ASP A 54 -6.811 -10.683 -2.912 1.00 0.00 C ATOM 647 O ASP A 54 -7.918 -11.074 -3.283 1.00 0.00 O ATOM 648 CB ASP A 54 -7.972 -9.277 -1.195 1.00 0.00 C ATOM 649 CG ASP A 54 -8.998 -10.226 -0.592 1.00 0.00 C ATOM 650 OD1 ASP A 54 -8.623 -11.308 -0.204 1.00 0.00 O ATOM 651 OD2 ASP A 54 -10.111 -9.808 -0.380 1.00 0.00 O ATOM 0 H ASP A 54 -4.843 -9.075 -0.975 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.376 -10.667 -0.822 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.765 -8.482 -0.479 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.405 -8.806 -2.078 1.00 0.00 H new ATOM 656 N GLY A 55 -5.702 -10.873 -3.618 1.00 0.00 N ATOM 657 CA GLY A 55 -5.703 -11.644 -4.854 1.00 0.00 C ATOM 658 C GLY A 55 -6.168 -10.798 -6.032 1.00 0.00 C ATOM 659 O GLY A 55 -6.292 -11.290 -7.152 1.00 0.00 O ATOM 0 H GLY A 55 -4.789 -10.502 -3.354 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.700 -12.024 -5.049 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.356 -12.510 -4.745 1.00 0.00 H new ATOM 663 N VAL A 56 -6.425 -9.521 -5.770 1.00 0.00 N ATOM 664 CA VAL A 56 -6.914 -8.611 -6.799 1.00 0.00 C ATOM 665 C VAL A 56 -5.799 -7.713 -7.316 1.00 0.00 C ATOM 666 O VAL A 56 -5.115 -7.046 -6.539 1.00 0.00 O ATOM 667 CB VAL A 56 -8.067 -7.732 -6.277 1.00 0.00 C ATOM 668 CG1 VAL A 56 -8.569 -6.805 -7.374 1.00 0.00 C ATOM 669 CG2 VAL A 56 -9.202 -8.598 -5.752 1.00 0.00 C ATOM 0 H VAL A 56 -6.303 -9.092 -4.853 1.00 0.00 H new ATOM 0 HA VAL A 56 -7.284 -9.232 -7.615 1.00 0.00 H new ATOM 0 HB VAL A 56 -7.690 -7.122 -5.456 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.383 -6.192 -6.988 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.755 -6.160 -7.706 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -8.929 -7.398 -8.215 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -10.007 -7.960 -5.387 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.577 -9.233 -6.555 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -8.836 -9.222 -4.937 1.00 0.00 H new ATOM 679 N ARG A 57 -5.619 -7.700 -8.633 1.00 0.00 N ATOM 680 CA ARG A 57 -4.553 -6.920 -9.252 1.00 0.00 C ATOM 681 C ARG A 57 -5.012 -5.497 -9.547 1.00 0.00 C ATOM 682 O ARG A 57 -6.053 -5.287 -10.170 1.00 0.00 O ATOM 683 CB ARG A 57 -3.998 -7.594 -10.498 1.00 0.00 C ATOM 684 CG ARG A 57 -3.365 -8.956 -10.260 1.00 0.00 C ATOM 685 CD ARG A 57 -2.951 -9.664 -11.498 1.00 0.00 C ATOM 686 NE ARG A 57 -2.335 -10.962 -11.273 1.00 0.00 N ATOM 687 CZ ARG A 57 -1.974 -11.817 -12.249 1.00 0.00 C ATOM 688 NH1 ARG A 57 -2.197 -11.535 -13.514 1.00 0.00 N ATOM 689 NH2 ARG A 57 -1.410 -12.960 -11.901 1.00 0.00 N ATOM 0 H ARG A 57 -6.198 -8.221 -9.292 1.00 0.00 H new ATOM 0 HA ARG A 57 -3.736 -6.866 -8.532 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -4.804 -7.706 -11.223 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -3.254 -6.937 -10.948 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -2.493 -8.831 -9.618 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -4.073 -9.582 -9.717 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -3.825 -9.796 -12.135 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -2.250 -9.033 -12.045 1.00 0.00 H new ATOM 0 HE ARG A 57 -2.164 -11.245 -10.308 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -2.650 -10.657 -13.769 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -1.917 -12.194 -14.240 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -1.259 -13.175 -10.915 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -1.126 -13.628 -12.618 1.00 0.00 H new ATOM 703 N TYR A 58 -4.231 -4.523 -9.094 1.00 0.00 N ATOM 704 CA TYR A 58 -4.485 -3.124 -9.417 1.00 0.00 C ATOM 705 C TYR A 58 -3.318 -2.518 -10.188 1.00 0.00 C ATOM 706 O TYR A 58 -2.215 -2.382 -9.657 1.00 0.00 O ATOM 707 CB TYR A 58 -4.748 -2.319 -8.143 1.00 0.00 C ATOM 708 CG TYR A 58 -5.864 -2.875 -7.287 1.00 0.00 C ATOM 709 CD1 TYR A 58 -7.189 -2.561 -7.554 1.00 0.00 C ATOM 710 CD2 TYR A 58 -5.591 -3.709 -6.213 1.00 0.00 C ATOM 711 CE1 TYR A 58 -8.212 -3.064 -6.776 1.00 0.00 C ATOM 712 CE2 TYR A 58 -6.606 -4.219 -5.428 1.00 0.00 C ATOM 713 CZ TYR A 58 -7.917 -3.894 -5.712 1.00 0.00 C ATOM 714 OH TYR A 58 -8.934 -4.398 -4.933 1.00 0.00 O ATOM 0 H TYR A 58 -3.415 -4.677 -8.501 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.371 -3.083 -10.050 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -3.833 -2.284 -7.552 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -4.990 -1.292 -8.417 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -7.424 -1.912 -8.385 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -4.566 -3.964 -5.987 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.238 -2.810 -6.998 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.375 -4.869 -4.597 1.00 0.00 H new ATOM 0 HH TYR A 58 -8.556 -4.965 -4.228 1.00 0.00 H new ATOM 724 N ASN A 59 -3.568 -2.153 -11.440 1.00 0.00 N ATOM 725 CA ASN A 59 -2.529 -1.600 -12.299 1.00 0.00 C ATOM 726 C ASN A 59 -2.561 -0.077 -12.292 1.00 0.00 C ATOM 727 O ASN A 59 -3.580 0.535 -12.611 1.00 0.00 O ATOM 728 CB ASN A 59 -2.648 -2.120 -13.720 1.00 0.00 C ATOM 729 CG ASN A 59 -2.455 -3.606 -13.839 1.00 0.00 C ATOM 730 OD1 ASN A 59 -1.366 -4.133 -13.587 1.00 0.00 O ATOM 731 ND2 ASN A 59 -3.482 -4.274 -14.299 1.00 0.00 N ATOM 0 H ASN A 59 -4.483 -2.230 -11.883 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.571 -1.927 -11.896 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -3.631 -1.858 -14.112 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -1.911 -1.616 -14.345 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -3.405 -5.277 -14.465 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -4.360 -3.791 -14.491 1.00 0.00 H new ATOM 738 N SER A 60 -1.437 0.532 -11.926 1.00 0.00 N ATOM 739 CA SER A 60 -1.302 1.982 -11.972 1.00 0.00 C ATOM 740 C SER A 60 -0.812 2.448 -13.337 1.00 0.00 C ATOM 741 O SER A 60 -0.341 1.646 -14.144 1.00 0.00 O ATOM 742 CB SER A 60 -0.357 2.453 -10.883 1.00 0.00 C ATOM 743 OG SER A 60 0.957 2.019 -11.103 1.00 0.00 O ATOM 0 H SER A 60 -0.606 0.042 -11.594 1.00 0.00 H new ATOM 0 HA SER A 60 -2.286 2.419 -11.803 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.375 3.542 -10.833 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.704 2.084 -9.918 1.00 0.00 H new ATOM 0 HG SER A 60 1.055 1.097 -10.785 1.00 0.00 H new ATOM 749 N LEU A 61 -0.926 3.747 -13.590 1.00 0.00 N ATOM 750 CA LEU A 61 -0.547 4.313 -14.879 1.00 0.00 C ATOM 751 C LEU A 61 0.966 4.436 -15.005 1.00 0.00 C ATOM 752 O LEU A 61 1.646 4.836 -14.061 1.00 0.00 O ATOM 753 CB LEU A 61 -1.212 5.682 -15.072 1.00 0.00 C ATOM 754 CG LEU A 61 -2.744 5.660 -15.142 1.00 0.00 C ATOM 755 CD1 LEU A 61 -3.283 7.081 -15.233 1.00 0.00 C ATOM 756 CD2 LEU A 61 -3.187 4.838 -16.343 1.00 0.00 C ATOM 0 H LEU A 61 -1.278 4.429 -12.918 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.894 3.637 -15.660 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.911 6.333 -14.251 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.829 6.128 -15.990 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.142 5.201 -14.237 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.372 7.055 -15.282 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.973 7.645 -14.353 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.891 7.562 -16.129 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.276 4.823 -16.392 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.789 5.283 -17.255 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.814 3.819 -16.244 1.00 0.00 H new ATOM 768 N PRO A 62 1.486 4.089 -16.177 1.00 0.00 N ATOM 769 CA PRO A 62 2.923 4.134 -16.420 1.00 0.00 C ATOM 770 C PRO A 62 3.414 5.570 -16.556 1.00 0.00 C ATOM 771 O PRO A 62 2.650 6.466 -16.913 1.00 0.00 O ATOM 772 CB PRO A 62 3.110 3.334 -17.720 1.00 0.00 C ATOM 773 CG PRO A 62 1.815 3.500 -18.467 1.00 0.00 C ATOM 774 CD PRO A 62 0.762 3.402 -17.255 1.00 0.00 C ATOM 0 HA PRO A 62 3.503 3.715 -15.598 1.00 0.00 H new ATOM 0 HB2 PRO A 62 3.952 3.713 -18.300 1.00 0.00 H new ATOM 0 HB3 PRO A 62 3.314 2.284 -17.512 1.00 0.00 H new ATOM 0 HG2 PRO A 62 1.758 4.455 -18.990 1.00 0.00 H new ATOM 0 HG3 PRO A 62 1.663 2.719 -19.212 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -0.182 3.893 -17.492 1.00 0.00 H new ATOM 0 HD3 PRO A 62 0.528 2.369 -16.998 1.00 0.00 H new ATOM 782 N GLY A 63 4.694 5.782 -16.268 1.00 0.00 N ATOM 783 CA GLY A 63 5.322 7.081 -16.473 1.00 0.00 C ATOM 784 C GLY A 63 5.966 7.591 -15.191 1.00 0.00 C ATOM 785 O GLY A 63 6.260 8.780 -15.064 1.00 0.00 O ATOM 0 H GLY A 63 5.318 5.068 -15.891 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.076 7.003 -17.256 1.00 0.00 H new ATOM 0 HA3 GLY A 63 4.577 7.797 -16.818 1.00 0.00 H new ATOM 789 N PHE A 64 6.185 6.685 -14.244 1.00 0.00 N ATOM 790 CA PHE A 64 6.804 7.041 -12.973 1.00 0.00 C ATOM 791 C PHE A 64 8.305 7.241 -13.129 1.00 0.00 C ATOM 792 O PHE A 64 8.955 6.556 -13.918 1.00 0.00 O ATOM 793 CB PHE A 64 6.523 5.964 -11.923 1.00 0.00 C ATOM 794 CG PHE A 64 5.072 5.842 -11.552 1.00 0.00 C ATOM 795 CD1 PHE A 64 4.414 6.884 -10.915 1.00 0.00 C ATOM 796 CD2 PHE A 64 4.362 4.687 -11.841 1.00 0.00 C ATOM 797 CE1 PHE A 64 3.081 6.773 -10.573 1.00 0.00 C ATOM 798 CE2 PHE A 64 3.028 4.574 -11.501 1.00 0.00 C ATOM 799 CZ PHE A 64 2.386 5.617 -10.866 1.00 0.00 C ATOM 0 H PHE A 64 5.943 5.698 -14.333 1.00 0.00 H new ATOM 0 HA PHE A 64 6.368 7.983 -12.641 1.00 0.00 H new ATOM 0 HB2 PHE A 64 6.874 5.003 -12.299 1.00 0.00 H new ATOM 0 HB3 PHE A 64 7.100 6.186 -11.025 1.00 0.00 H new ATOM 0 HD1 PHE A 64 4.951 7.792 -10.684 1.00 0.00 H new ATOM 0 HD2 PHE A 64 4.858 3.866 -12.338 1.00 0.00 H new ATOM 0 HE1 PHE A 64 2.582 7.591 -10.076 1.00 0.00 H new ATOM 0 HE2 PHE A 64 2.487 3.668 -11.732 1.00 0.00 H new ATOM 0 HZ PHE A 64 1.343 5.529 -10.599 1.00 0.00 H new ATOM 809 N PHE A 65 8.853 8.185 -12.370 1.00 0.00 N ATOM 810 CA PHE A 65 10.278 8.485 -12.429 1.00 0.00 C ATOM 811 C PHE A 65 10.991 8.021 -11.166 1.00 0.00 C ATOM 812 O PHE A 65 12.196 8.222 -11.013 1.00 0.00 O ATOM 813 CB PHE A 65 10.501 9.985 -12.637 1.00 0.00 C ATOM 814 CG PHE A 65 9.915 10.512 -13.917 1.00 0.00 C ATOM 815 CD1 PHE A 65 10.553 10.297 -15.129 1.00 0.00 C ATOM 816 CD2 PHE A 65 8.725 11.223 -13.911 1.00 0.00 C ATOM 817 CE1 PHE A 65 10.018 10.782 -16.306 1.00 0.00 C ATOM 818 CE2 PHE A 65 8.186 11.709 -15.087 1.00 0.00 C ATOM 819 CZ PHE A 65 8.832 11.489 -16.285 1.00 0.00 C ATOM 0 H PHE A 65 8.330 8.756 -11.706 1.00 0.00 H new ATOM 0 HA PHE A 65 10.698 7.943 -13.276 1.00 0.00 H new ATOM 0 HB2 PHE A 65 10.065 10.528 -11.798 1.00 0.00 H new ATOM 0 HB3 PHE A 65 11.572 10.189 -12.627 1.00 0.00 H new ATOM 0 HD1 PHE A 65 11.480 9.743 -15.153 1.00 0.00 H new ATOM 0 HD2 PHE A 65 8.213 11.399 -12.976 1.00 0.00 H new ATOM 0 HE1 PHE A 65 10.527 10.608 -17.243 1.00 0.00 H new ATOM 0 HE2 PHE A 65 7.258 12.261 -15.068 1.00 0.00 H new ATOM 0 HZ PHE A 65 8.412 11.869 -17.205 1.00 0.00 H new ATOM 829 N ASN A 66 10.241 7.398 -10.264 1.00 0.00 N ATOM 830 CA ASN A 66 10.799 6.913 -9.007 1.00 0.00 C ATOM 831 C ASN A 66 9.962 5.776 -8.435 1.00 0.00 C ATOM 832 O ASN A 66 8.743 5.743 -8.605 1.00 0.00 O ATOM 833 CB ASN A 66 10.930 8.032 -7.989 1.00 0.00 C ATOM 834 CG ASN A 66 11.822 7.691 -6.827 1.00 0.00 C ATOM 835 OD1 ASN A 66 12.697 6.825 -6.924 1.00 0.00 O ATOM 836 ND2 ASN A 66 11.550 8.312 -5.708 1.00 0.00 N ATOM 0 H ASN A 66 9.244 7.217 -10.380 1.00 0.00 H new ATOM 0 HA ASN A 66 11.797 6.532 -9.224 1.00 0.00 H new ATOM 0 HB2 ASN A 66 11.320 8.920 -8.487 1.00 0.00 H new ATOM 0 HB3 ASN A 66 9.939 8.287 -7.613 1.00 0.00 H new ATOM 0 HD21 ASN A 66 12.072 8.088 -4.861 1.00 0.00 H new ATOM 0 HD22 ASN A 66 10.816 9.020 -5.683 1.00 0.00 H new ATOM 843 N ARG A 67 10.623 4.845 -7.757 1.00 0.00 N ATOM 844 CA ARG A 67 9.943 3.694 -7.175 1.00 0.00 C ATOM 845 C ARG A 67 8.994 4.119 -6.063 1.00 0.00 C ATOM 846 O ARG A 67 7.883 3.601 -5.948 1.00 0.00 O ATOM 847 CB ARG A 67 10.922 2.631 -6.696 1.00 0.00 C ATOM 848 CG ARG A 67 10.278 1.419 -6.039 1.00 0.00 C ATOM 849 CD ARG A 67 11.222 0.311 -5.743 1.00 0.00 C ATOM 850 NE ARG A 67 10.637 -0.797 -5.006 1.00 0.00 N ATOM 851 CZ ARG A 67 11.300 -1.915 -4.650 1.00 0.00 C ATOM 852 NH1 ARG A 67 12.557 -2.093 -4.992 1.00 0.00 N ATOM 853 NH2 ARG A 67 10.646 -2.839 -3.969 1.00 0.00 N ATOM 0 H ARG A 67 11.630 4.865 -7.597 1.00 0.00 H new ATOM 0 HA ARG A 67 9.347 3.240 -7.967 1.00 0.00 H new ATOM 0 HB2 ARG A 67 11.515 2.294 -7.546 1.00 0.00 H new ATOM 0 HB3 ARG A 67 11.613 3.087 -5.987 1.00 0.00 H new ATOM 0 HG2 ARG A 67 9.802 1.734 -5.110 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.488 1.044 -6.690 1.00 0.00 H new ATOM 0 HD2 ARG A 67 11.626 -0.067 -6.682 1.00 0.00 H new ATOM 0 HD3 ARG A 67 12.061 0.708 -5.172 1.00 0.00 H new ATOM 0 HE ARG A 67 9.655 -0.723 -4.739 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.044 -1.379 -5.534 1.00 0.00 H new ATOM 0 HH12 ARG A 67 13.045 -2.945 -4.715 1.00 0.00 H new ATOM 0 HH21 ARG A 67 9.666 -2.696 -3.727 1.00 0.00 H new ATOM 0 HH22 ARG A 67 11.121 -3.696 -3.686 1.00 0.00 H new ATOM 867 N LYS A 68 9.438 5.068 -5.243 1.00 0.00 N ATOM 868 CA LYS A 68 8.620 5.580 -4.151 1.00 0.00 C ATOM 869 C LYS A 68 7.285 6.109 -4.660 1.00 0.00 C ATOM 870 O LYS A 68 6.227 5.752 -4.145 1.00 0.00 O ATOM 871 CB LYS A 68 9.366 6.680 -3.394 1.00 0.00 C ATOM 872 CG LYS A 68 8.606 7.252 -2.205 1.00 0.00 C ATOM 873 CD LYS A 68 9.436 8.289 -1.463 1.00 0.00 C ATOM 874 CE LYS A 68 8.660 8.896 -0.304 1.00 0.00 C ATOM 875 NZ LYS A 68 9.458 9.918 0.426 1.00 0.00 N ATOM 0 H LYS A 68 10.360 5.497 -5.315 1.00 0.00 H new ATOM 0 HA LYS A 68 8.420 4.753 -3.470 1.00 0.00 H new ATOM 0 HB2 LYS A 68 10.318 6.281 -3.043 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.595 7.490 -4.087 1.00 0.00 H new ATOM 0 HG2 LYS A 68 7.677 7.706 -2.549 1.00 0.00 H new ATOM 0 HG3 LYS A 68 8.334 6.446 -1.523 1.00 0.00 H new ATOM 0 HD2 LYS A 68 10.349 7.826 -1.089 1.00 0.00 H new ATOM 0 HD3 LYS A 68 9.738 9.077 -2.153 1.00 0.00 H new ATOM 0 HE2 LYS A 68 7.744 9.352 -0.680 1.00 0.00 H new ATOM 0 HE3 LYS A 68 8.363 8.107 0.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 8.893 10.307 1.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 10.320 9.478 0.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 9.720 10.685 -0.226 1.00 0.00 H new ATOM 889 N ALA A 69 7.343 6.960 -5.679 1.00 0.00 N ATOM 890 CA ALA A 69 6.138 7.527 -6.273 1.00 0.00 C ATOM 891 C ALA A 69 5.280 6.445 -6.916 1.00 0.00 C ATOM 892 O ALA A 69 4.051 6.502 -6.867 1.00 0.00 O ATOM 893 CB ALA A 69 6.500 8.595 -7.292 1.00 0.00 C ATOM 0 H ALA A 69 8.213 7.272 -6.111 1.00 0.00 H new ATOM 0 HA ALA A 69 5.555 7.988 -5.476 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.589 9.008 -7.726 1.00 0.00 H new ATOM 0 HB2 ALA A 69 7.061 9.390 -6.802 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.110 8.154 -8.081 1.00 0.00 H new ATOM 899 N ALA A 70 5.934 5.459 -7.520 1.00 0.00 N ATOM 900 CA ALA A 70 5.233 4.367 -8.184 1.00 0.00 C ATOM 901 C ALA A 70 4.400 3.565 -7.192 1.00 0.00 C ATOM 902 O ALA A 70 3.239 3.251 -7.452 1.00 0.00 O ATOM 903 CB ALA A 70 6.221 3.461 -8.904 1.00 0.00 C ATOM 0 H ALA A 70 6.951 5.394 -7.563 1.00 0.00 H new ATOM 0 HA ALA A 70 4.555 4.800 -8.920 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.681 2.651 -9.394 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.766 4.038 -9.651 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.924 3.044 -8.183 1.00 0.00 H new ATOM 909 N GLU A 71 5.001 3.234 -6.053 1.00 0.00 N ATOM 910 CA GLU A 71 4.343 2.404 -5.052 1.00 0.00 C ATOM 911 C GLU A 71 3.222 3.165 -4.357 1.00 0.00 C ATOM 912 O GLU A 71 2.158 2.608 -4.080 1.00 0.00 O ATOM 913 CB GLU A 71 5.357 1.904 -4.021 1.00 0.00 C ATOM 914 CG GLU A 71 6.344 0.878 -4.557 1.00 0.00 C ATOM 915 CD GLU A 71 7.377 0.521 -3.524 1.00 0.00 C ATOM 916 OE1 GLU A 71 7.357 1.104 -2.467 1.00 0.00 O ATOM 917 OE2 GLU A 71 8.113 -0.411 -3.746 1.00 0.00 O ATOM 0 H GLU A 71 5.944 3.529 -5.801 1.00 0.00 H new ATOM 0 HA GLU A 71 3.906 1.547 -5.564 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.913 2.757 -3.633 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.817 1.467 -3.181 1.00 0.00 H new ATOM 0 HG2 GLU A 71 5.808 -0.020 -4.863 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.837 1.274 -5.445 1.00 0.00 H new ATOM 924 N GLN A 72 3.464 4.441 -4.077 1.00 0.00 N ATOM 925 CA GLN A 72 2.460 5.291 -3.449 1.00 0.00 C ATOM 926 C GLN A 72 1.222 5.423 -4.327 1.00 0.00 C ATOM 927 O GLN A 72 0.094 5.308 -3.847 1.00 0.00 O ATOM 928 CB GLN A 72 3.039 6.679 -3.159 1.00 0.00 C ATOM 929 CG GLN A 72 2.071 7.626 -2.471 1.00 0.00 C ATOM 930 CD GLN A 72 2.700 8.970 -2.157 1.00 0.00 C ATOM 931 OE1 GLN A 72 3.848 9.234 -2.525 1.00 0.00 O ATOM 932 NE2 GLN A 72 1.953 9.826 -1.469 1.00 0.00 N ATOM 0 H GLN A 72 4.348 4.910 -4.275 1.00 0.00 H new ATOM 0 HA GLN A 72 2.168 4.821 -2.510 1.00 0.00 H new ATOM 0 HB2 GLN A 72 3.926 6.567 -2.535 1.00 0.00 H new ATOM 0 HB3 GLN A 72 3.364 7.128 -4.097 1.00 0.00 H new ATOM 0 HG2 GLN A 72 1.199 7.776 -3.108 1.00 0.00 H new ATOM 0 HG3 GLN A 72 1.716 7.170 -1.547 1.00 0.00 H new ATOM 0 HE21 GLN A 72 1.009 9.565 -1.185 1.00 0.00 H new ATOM 0 HE22 GLN A 72 2.324 10.744 -1.224 1.00 0.00 H new ATOM 941 N SER A 73 1.440 5.667 -5.614 1.00 0.00 N ATOM 942 CA SER A 73 0.341 5.814 -6.562 1.00 0.00 C ATOM 943 C SER A 73 -0.409 4.499 -6.742 1.00 0.00 C ATOM 944 O SER A 73 -1.633 4.486 -6.877 1.00 0.00 O ATOM 945 CB SER A 73 0.866 6.309 -7.896 1.00 0.00 C ATOM 946 OG SER A 73 1.361 7.618 -7.812 1.00 0.00 O ATOM 0 H SER A 73 2.368 5.767 -6.026 1.00 0.00 H new ATOM 0 HA SER A 73 -0.359 6.548 -6.161 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.656 5.644 -8.244 1.00 0.00 H new ATOM 0 HB3 SER A 73 0.068 6.270 -8.637 1.00 0.00 H new ATOM 0 HG SER A 73 2.296 7.596 -7.520 1.00 0.00 H new ATOM 952 N ALA A 74 0.331 3.397 -6.745 1.00 0.00 N ATOM 953 CA ALA A 74 -0.271 2.070 -6.811 1.00 0.00 C ATOM 954 C ALA A 74 -1.222 1.839 -5.644 1.00 0.00 C ATOM 955 O ALA A 74 -2.329 1.332 -5.824 1.00 0.00 O ATOM 956 CB ALA A 74 0.809 0.999 -6.837 1.00 0.00 C ATOM 0 H ALA A 74 1.350 3.396 -6.702 1.00 0.00 H new ATOM 0 HA ALA A 74 -0.849 2.007 -7.733 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.344 0.014 -6.886 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.445 1.144 -7.711 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.414 1.070 -5.933 1.00 0.00 H new ATOM 962 N ALA A 75 -0.785 2.215 -4.447 1.00 0.00 N ATOM 963 CA ALA A 75 -1.625 2.119 -3.259 1.00 0.00 C ATOM 964 C ALA A 75 -2.875 2.981 -3.398 1.00 0.00 C ATOM 965 O ALA A 75 -3.963 2.579 -2.987 1.00 0.00 O ATOM 966 CB ALA A 75 -0.839 2.520 -2.019 1.00 0.00 C ATOM 0 H ALA A 75 0.148 2.590 -4.274 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.941 1.081 -3.153 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.480 2.443 -1.141 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.018 1.857 -1.902 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.491 3.548 -2.125 1.00 0.00 H new ATOM 972 N GLU A 76 -2.710 4.164 -3.979 1.00 0.00 N ATOM 973 CA GLU A 76 -3.835 5.060 -4.220 1.00 0.00 C ATOM 974 C GLU A 76 -4.877 4.407 -5.118 1.00 0.00 C ATOM 975 O GLU A 76 -6.073 4.453 -4.831 1.00 0.00 O ATOM 976 CB GLU A 76 -3.349 6.371 -4.846 1.00 0.00 C ATOM 977 CG GLU A 76 -4.448 7.394 -5.090 1.00 0.00 C ATOM 978 CD GLU A 76 -3.890 8.667 -5.666 1.00 0.00 C ATOM 979 OE1 GLU A 76 -2.699 8.742 -5.848 1.00 0.00 O ATOM 980 OE2 GLU A 76 -4.665 9.521 -6.028 1.00 0.00 O ATOM 0 H GLU A 76 -1.809 4.525 -4.292 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.302 5.276 -3.259 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.595 6.813 -4.195 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.860 6.148 -5.794 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.190 6.978 -5.772 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -4.961 7.610 -4.153 1.00 0.00 H new ATOM 987 N VAL A 77 -4.416 3.799 -6.205 1.00 0.00 N ATOM 988 CA VAL A 77 -5.310 3.137 -7.149 1.00 0.00 C ATOM 989 C VAL A 77 -6.086 2.010 -6.477 1.00 0.00 C ATOM 990 O VAL A 77 -7.288 1.858 -6.694 1.00 0.00 O ATOM 991 CB VAL A 77 -4.538 2.568 -8.354 1.00 0.00 C ATOM 992 CG1 VAL A 77 -5.453 1.710 -9.216 1.00 0.00 C ATOM 993 CG2 VAL A 77 -3.933 3.694 -9.179 1.00 0.00 C ATOM 0 H VAL A 77 -3.428 3.750 -6.455 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.010 3.895 -7.502 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.729 1.941 -7.979 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.891 1.316 -10.063 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.842 0.883 -8.622 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.282 2.316 -9.581 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.391 3.274 -10.026 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.727 4.345 -9.543 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.246 4.271 -8.559 1.00 0.00 H new ATOM 1003 N ALA A 78 -5.391 1.225 -5.662 1.00 0.00 N ATOM 1004 CA ALA A 78 -6.019 0.129 -4.935 1.00 0.00 C ATOM 1005 C ALA A 78 -7.031 0.648 -3.923 1.00 0.00 C ATOM 1006 O ALA A 78 -8.096 0.059 -3.737 1.00 0.00 O ATOM 1007 CB ALA A 78 -4.964 -0.723 -4.245 1.00 0.00 C ATOM 0 H ALA A 78 -4.391 1.328 -5.488 1.00 0.00 H new ATOM 0 HA ALA A 78 -6.553 -0.491 -5.655 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -5.449 -1.537 -3.706 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.284 -1.135 -4.991 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.402 -0.108 -3.543 1.00 0.00 H new ATOM 1013 N LEU A 79 -6.694 1.756 -3.270 1.00 0.00 N ATOM 1014 CA LEU A 79 -7.584 2.369 -2.291 1.00 0.00 C ATOM 1015 C LEU A 79 -8.843 2.911 -2.956 1.00 0.00 C ATOM 1016 O LEU A 79 -9.946 2.762 -2.428 1.00 0.00 O ATOM 1017 CB LEU A 79 -6.852 3.489 -1.539 1.00 0.00 C ATOM 1018 CG LEU A 79 -5.741 3.020 -0.591 1.00 0.00 C ATOM 1019 CD1 LEU A 79 -4.852 4.195 -0.209 1.00 0.00 C ATOM 1020 CD2 LEU A 79 -6.362 2.388 0.646 1.00 0.00 C ATOM 0 H LEU A 79 -5.810 2.248 -3.402 1.00 0.00 H new ATOM 0 HA LEU A 79 -7.885 1.602 -1.578 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.420 4.173 -2.269 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -7.583 4.057 -0.964 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.124 2.275 -1.093 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.066 3.853 0.464 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.402 4.618 -1.107 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.451 4.957 0.290 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.573 2.055 1.320 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.987 3.122 1.155 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.972 1.534 0.351 1.00 0.00 H new ATOM 1032 N ARG A 80 -8.673 3.540 -4.113 1.00 0.00 N ATOM 1033 CA ARG A 80 -9.796 4.109 -4.848 1.00 0.00 C ATOM 1034 C ARG A 80 -10.773 3.025 -5.286 1.00 0.00 C ATOM 1035 O ARG A 80 -11.988 3.230 -5.271 1.00 0.00 O ATOM 1036 CB ARG A 80 -9.339 4.957 -6.025 1.00 0.00 C ATOM 1037 CG ARG A 80 -8.672 6.270 -5.648 1.00 0.00 C ATOM 1038 CD ARG A 80 -8.238 7.092 -6.806 1.00 0.00 C ATOM 1039 NE ARG A 80 -7.510 8.299 -6.450 1.00 0.00 N ATOM 1040 CZ ARG A 80 -8.083 9.444 -6.033 1.00 0.00 C ATOM 1041 NH1 ARG A 80 -9.391 9.556 -5.954 1.00 0.00 N ATOM 1042 NH2 ARG A 80 -7.297 10.461 -5.728 1.00 0.00 N ATOM 0 H ARG A 80 -7.767 3.669 -4.563 1.00 0.00 H new ATOM 0 HA ARG A 80 -10.322 4.776 -4.165 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -8.643 4.372 -6.626 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -10.202 5.173 -6.655 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -9.364 6.854 -5.042 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -7.804 6.057 -5.024 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -7.609 6.481 -7.453 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -9.117 7.371 -7.387 1.00 0.00 H new ATOM 0 HE ARG A 80 -6.493 8.277 -6.521 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -9.987 8.769 -6.210 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -9.810 10.430 -5.636 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -6.285 10.366 -5.811 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -7.702 11.341 -5.409 1.00 0.00 H new ATOM 1056 N GLU A 81 -10.237 1.874 -5.675 1.00 0.00 N ATOM 1057 CA GLU A 81 -11.062 0.723 -6.018 1.00 0.00 C ATOM 1058 C GLU A 81 -11.640 0.069 -4.769 1.00 0.00 C ATOM 1059 O GLU A 81 -12.765 -0.433 -4.783 1.00 0.00 O ATOM 1060 CB GLU A 81 -10.250 -0.299 -6.818 1.00 0.00 C ATOM 1061 CG GLU A 81 -9.883 0.153 -8.224 1.00 0.00 C ATOM 1062 CD GLU A 81 -11.111 0.422 -9.049 1.00 0.00 C ATOM 1063 OE1 GLU A 81 -11.962 -0.433 -9.110 1.00 0.00 O ATOM 1064 OE2 GLU A 81 -11.251 1.523 -9.528 1.00 0.00 O ATOM 0 H GLU A 81 -9.233 1.713 -5.761 1.00 0.00 H new ATOM 0 HA GLU A 81 -11.890 1.077 -6.633 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -9.335 -0.526 -6.272 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -10.820 -1.226 -6.884 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -9.273 1.055 -8.171 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -9.277 -0.613 -8.708 1.00 0.00 H new ATOM 1071 N LEU A 82 -10.865 0.077 -3.690 1.00 0.00 N ATOM 1072 CA LEU A 82 -11.310 -0.493 -2.423 1.00 0.00 C ATOM 1073 C LEU A 82 -12.543 0.230 -1.896 1.00 0.00 C ATOM 1074 O LEU A 82 -13.449 -0.393 -1.344 1.00 0.00 O ATOM 1075 CB LEU A 82 -10.177 -0.437 -1.391 1.00 0.00 C ATOM 1076 CG LEU A 82 -10.486 -1.106 -0.046 1.00 0.00 C ATOM 1077 CD1 LEU A 82 -10.775 -2.587 -0.253 1.00 0.00 C ATOM 1078 CD2 LEU A 82 -9.311 -0.913 0.901 1.00 0.00 C ATOM 0 H LEU A 82 -9.925 0.472 -3.667 1.00 0.00 H new ATOM 0 HA LEU A 82 -11.581 -1.534 -2.597 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.293 -0.910 -1.819 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -9.924 0.607 -1.210 1.00 0.00 H new ATOM 0 HG LEU A 82 -11.370 -0.645 0.394 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.993 -3.053 0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.633 -2.701 -0.915 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -9.905 -3.068 -0.700 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -9.532 -1.389 1.856 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.418 -1.364 0.469 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -9.141 0.152 1.057 1.00 0.00 H new ATOM 1090 N ALA A 83 -12.570 1.547 -2.069 1.00 0.00 N ATOM 1091 CA ALA A 83 -13.686 2.359 -1.599 1.00 0.00 C ATOM 1092 C ALA A 83 -14.978 1.988 -2.316 1.00 0.00 C ATOM 1093 O ALA A 83 -16.072 2.262 -1.826 1.00 0.00 O ATOM 1094 CB ALA A 83 -13.380 3.837 -1.781 1.00 0.00 C ATOM 0 H ALA A 83 -11.831 2.075 -2.532 1.00 0.00 H new ATOM 0 HA ALA A 83 -13.824 2.159 -0.536 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -14.223 4.430 -1.425 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.488 4.097 -1.211 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -13.210 4.046 -2.837 1.00 0.00 H new ATOM 1100 N LYS A 84 -14.843 1.363 -3.483 1.00 0.00 N ATOM 1101 CA LYS A 84 -15.995 1.029 -4.310 1.00 0.00 C ATOM 1102 C LYS A 84 -16.684 -0.235 -3.809 1.00 0.00 C ATOM 1103 O LYS A 84 -17.737 -0.621 -4.317 1.00 0.00 O ATOM 1104 CB LYS A 84 -15.575 0.855 -5.769 1.00 0.00 C ATOM 1105 CG LYS A 84 -15.071 2.130 -6.435 1.00 0.00 C ATOM 1106 CD LYS A 84 -14.669 1.877 -7.881 1.00 0.00 C ATOM 1107 CE LYS A 84 -14.156 3.148 -8.543 1.00 0.00 C ATOM 1108 NZ LYS A 84 -13.732 2.909 -9.949 1.00 0.00 N ATOM 0 H LYS A 84 -13.946 1.078 -3.876 1.00 0.00 H new ATOM 0 HA LYS A 84 -16.704 1.854 -4.242 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -14.792 0.098 -5.821 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -16.425 0.475 -6.336 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -15.849 2.893 -6.400 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -14.217 2.519 -5.881 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -13.897 1.109 -7.917 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -15.525 1.495 -8.437 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -14.937 3.908 -8.524 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -13.315 3.541 -7.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -13.616 3.820 -10.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -12.828 2.395 -9.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -14.455 2.344 -10.438 1.00 0.00 H new ATOM 1122 N SER A 85 -16.084 -0.873 -2.812 1.00 0.00 N ATOM 1123 CA SER A 85 -16.675 -2.055 -2.193 1.00 0.00 C ATOM 1124 C SER A 85 -17.858 -1.681 -1.308 1.00 0.00 C ATOM 1125 O SER A 85 -18.651 -2.539 -0.922 1.00 0.00 O ATOM 1126 CB SER A 85 -15.628 -2.801 -1.388 1.00 0.00 C ATOM 1127 OG SER A 85 -15.249 -2.097 -0.237 1.00 0.00 O ATOM 0 H SER A 85 -15.188 -0.592 -2.414 1.00 0.00 H new ATOM 0 HA SER A 85 -17.043 -2.706 -2.986 1.00 0.00 H new ATOM 0 HB2 SER A 85 -16.018 -3.778 -1.103 1.00 0.00 H new ATOM 0 HB3 SER A 85 -14.751 -2.977 -2.010 1.00 0.00 H new ATOM 0 HG SER A 85 -14.615 -1.390 -0.480 1.00 0.00 H new ATOM 1133 N SER A 86 -17.969 -0.396 -0.991 1.00 0.00 N ATOM 1134 CA SER A 86 -19.069 0.097 -0.171 1.00 0.00 C ATOM 1135 C SER A 86 -20.414 -0.164 -0.838 1.00 0.00 C ATOM 1136 O SER A 86 -20.585 0.086 -2.030 1.00 0.00 O ATOM 1137 CB SER A 86 -18.894 1.578 0.101 1.00 0.00 C ATOM 1138 OG SER A 86 -19.956 2.107 0.846 1.00 0.00 O ATOM 0 H SER A 86 -17.310 0.323 -1.290 1.00 0.00 H new ATOM 0 HA SER A 86 -19.054 -0.442 0.776 1.00 0.00 H new ATOM 0 HB2 SER A 86 -17.959 1.739 0.638 1.00 0.00 H new ATOM 0 HB3 SER A 86 -18.814 2.113 -0.845 1.00 0.00 H new ATOM 0 HG SER A 86 -19.803 3.063 1.001 1.00 0.00 H new TER 1144 SER A 86