USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 732 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 31 THR OG1 : rot -125:sc= 1.36 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 9:sc= 0.0647 USER MOD Single : A 42 GLN : amide:sc= -0.133 K(o=-0.13,f=-3.9!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 1.17 K(o=1.2,f=-9!) USER MOD Single : A 45 LYS NZ :NH3+ -178:sc= 1.1 (180deg=1.1) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 180:sc= -0.82 (180deg=-0.82) USER MOD Single : A 51 ASN : amide:sc= 0.881 K(o=0.88,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 167:sc= 1.17 (180deg=1.02) USER MOD Single : A 64 TYR OH : rot -163:sc= 0.806 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 THR OG1 : rot 22:sc= 0.258 USER MOD Single : B 35 SER OG : rot 180:sc= 0 USER MOD Single : B 37 TYR OH : rot 180:sc= 0 USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 42 GLN : amide:sc= -0.354 K(o=-0.35,f=-3.8!) USER MOD Single : B 43 TYR OH : rot 180:sc= 0 USER MOD Single : B 44 GLN : amide:sc= 0.0469 X(o=0.047,f=0) USER MOD Single : B 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00488) USER MOD Single : B 49 MET CE :methyl -174:sc= -0.683 (180deg=-0.699) USER MOD Single : B 51 ASN : amide:sc= 0 X(o=0,f=-0.094) USER MOD Single : B 56 SER OG : rot 173:sc= 0.589 USER MOD Single : B 59 SER OG : rot 180:sc= 0 USER MOD Single : B 60 TYR OH : rot 180:sc= 0 USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 64 TYR OH : rot 60:sc= -0.0182 USER MOD Single : B 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 31 -6.892 13.682 -13.822 1.00 0.00 N ATOM 2 CA THR A 31 -7.296 12.520 -13.017 1.00 0.00 C ATOM 3 C THR A 31 -6.431 12.323 -11.757 1.00 0.00 C ATOM 4 O THR A 31 -5.631 13.193 -11.398 1.00 0.00 O ATOM 5 CB THR A 31 -7.338 11.244 -13.884 1.00 0.00 C ATOM 6 OG1 THR A 31 -8.157 10.290 -13.250 1.00 0.00 O ATOM 7 CG2 THR A 31 -5.980 10.633 -14.231 1.00 0.00 C ATOM 0 HA THR A 31 -8.303 12.725 -12.654 1.00 0.00 H new ATOM 0 HB THR A 31 -7.747 11.551 -14.847 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.658 9.455 -13.135 1.00 0.00 H new ATOM 0 HG21 THR A 31 -6.127 9.742 -14.842 1.00 0.00 H new ATOM 0 HG22 THR A 31 -5.385 11.359 -14.785 1.00 0.00 H new ATOM 0 HG23 THR A 31 -5.458 10.361 -13.313 1.00 0.00 H new ATOM 15 N ARG A 32 -6.554 11.178 -11.075 1.00 0.00 N ATOM 16 CA ARG A 32 -5.681 10.750 -9.982 1.00 0.00 C ATOM 17 C ARG A 32 -4.269 10.409 -10.493 1.00 0.00 C ATOM 18 O ARG A 32 -3.933 9.245 -10.726 1.00 0.00 O ATOM 19 CB ARG A 32 -6.331 9.585 -9.213 1.00 0.00 C ATOM 20 CG ARG A 32 -7.594 10.001 -8.438 1.00 0.00 C ATOM 21 CD ARG A 32 -7.289 11.004 -7.316 1.00 0.00 C ATOM 22 NE ARG A 32 -8.481 11.260 -6.494 1.00 0.00 N ATOM 23 CZ ARG A 32 -8.543 12.028 -5.418 1.00 0.00 C ATOM 24 NH1 ARG A 32 -7.501 12.660 -4.949 1.00 0.00 N ATOM 25 NH2 ARG A 32 -9.674 12.186 -4.787 1.00 0.00 N ATOM 0 H ARG A 32 -7.291 10.502 -11.278 1.00 0.00 H new ATOM 0 HA ARG A 32 -5.558 11.577 -9.283 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.588 8.793 -9.916 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -5.605 9.169 -8.515 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.313 10.441 -9.129 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.064 9.115 -8.011 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -6.487 10.618 -6.687 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -6.934 11.940 -7.748 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.345 10.800 -6.781 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.598 12.571 -5.415 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.590 13.243 -4.117 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.515 11.717 -5.123 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.717 12.779 -3.958 1.00 0.00 H new ATOM 39 N ALA A 33 -3.455 11.450 -10.675 1.00 0.00 N ATOM 40 CA ALA A 33 -1.999 11.360 -10.721 1.00 0.00 C ATOM 41 C ALA A 33 -1.463 10.722 -9.421 1.00 0.00 C ATOM 42 O ALA A 33 -1.757 11.189 -8.317 1.00 0.00 O ATOM 43 CB ALA A 33 -1.428 12.766 -10.931 1.00 0.00 C ATOM 0 H ALA A 33 -3.801 12.402 -10.797 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.687 10.723 -11.549 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.340 12.715 -10.968 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -1.804 13.175 -11.869 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.734 13.410 -10.106 1.00 0.00 H new ATOM 49 N VAL A 34 -0.710 9.634 -9.551 1.00 0.00 N ATOM 50 CA VAL A 34 -0.336 8.701 -8.481 1.00 0.00 C ATOM 51 C VAL A 34 1.087 8.231 -8.708 1.00 0.00 C ATOM 52 O VAL A 34 1.361 7.440 -9.605 1.00 0.00 O ATOM 53 CB VAL A 34 -1.313 7.514 -8.415 1.00 0.00 C ATOM 54 CG1 VAL A 34 -0.834 6.345 -7.554 1.00 0.00 C ATOM 55 CG2 VAL A 34 -2.651 7.956 -7.802 1.00 0.00 C ATOM 0 H VAL A 34 -0.321 9.360 -10.453 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.392 9.213 -7.521 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.400 7.183 -9.450 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.584 5.554 -7.565 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.105 5.960 -7.952 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.681 6.686 -6.530 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.332 7.105 -7.762 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.482 8.333 -6.793 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.090 8.743 -8.415 1.00 0.00 H new ATOM 65 N SER A 35 1.977 8.755 -7.877 1.00 0.00 N ATOM 66 CA SER A 35 3.426 8.590 -7.958 1.00 0.00 C ATOM 67 C SER A 35 4.003 7.842 -6.746 1.00 0.00 C ATOM 68 O SER A 35 3.588 8.058 -5.603 1.00 0.00 O ATOM 69 CB SER A 35 4.079 9.968 -8.093 1.00 0.00 C ATOM 70 OG SER A 35 5.485 9.874 -8.257 1.00 0.00 O ATOM 0 H SER A 35 1.696 9.336 -7.087 1.00 0.00 H new ATOM 0 HA SER A 35 3.646 7.980 -8.834 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.648 10.492 -8.946 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.856 10.564 -7.208 1.00 0.00 H new ATOM 0 HG SER A 35 5.865 10.773 -8.341 1.00 0.00 H new ATOM 76 N LEU A 36 4.962 6.952 -7.009 1.00 0.00 N ATOM 77 CA LEU A 36 5.553 5.995 -6.077 1.00 0.00 C ATOM 78 C LEU A 36 7.082 5.907 -6.244 1.00 0.00 C ATOM 79 O LEU A 36 7.658 6.400 -7.218 1.00 0.00 O ATOM 80 CB LEU A 36 4.925 4.604 -6.301 1.00 0.00 C ATOM 81 CG LEU A 36 3.392 4.552 -6.146 1.00 0.00 C ATOM 82 CD1 LEU A 36 2.693 4.462 -7.498 1.00 0.00 C ATOM 83 CD2 LEU A 36 2.983 3.331 -5.340 1.00 0.00 C ATOM 0 H LEU A 36 5.372 6.877 -7.940 1.00 0.00 H new ATOM 0 HA LEU A 36 5.348 6.340 -5.064 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.186 4.260 -7.302 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.371 3.902 -5.596 1.00 0.00 H new ATOM 0 HG LEU A 36 3.096 5.471 -5.640 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.614 4.427 -7.348 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.948 5.335 -8.098 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.017 3.559 -8.016 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.898 3.308 -5.239 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.319 2.429 -5.851 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.438 3.379 -4.351 1.00 0.00 H new ATOM 95 N TYR A 37 7.719 5.220 -5.295 1.00 0.00 N ATOM 96 CA TYR A 37 9.172 5.135 -5.126 1.00 0.00 C ATOM 97 C TYR A 37 9.637 3.670 -5.083 1.00 0.00 C ATOM 98 O TYR A 37 9.781 3.055 -4.023 1.00 0.00 O ATOM 99 CB TYR A 37 9.575 5.948 -3.889 1.00 0.00 C ATOM 100 CG TYR A 37 9.427 7.444 -4.103 1.00 0.00 C ATOM 101 CD1 TYR A 37 10.461 8.162 -4.731 1.00 0.00 C ATOM 102 CD2 TYR A 37 8.241 8.110 -3.735 1.00 0.00 C ATOM 103 CE1 TYR A 37 10.320 9.538 -4.976 1.00 0.00 C ATOM 104 CE2 TYR A 37 8.094 9.487 -3.997 1.00 0.00 C ATOM 105 CZ TYR A 37 9.137 10.201 -4.613 1.00 0.00 C ATOM 106 OH TYR A 37 9.005 11.534 -4.864 1.00 0.00 O ATOM 0 H TYR A 37 7.214 4.683 -4.590 1.00 0.00 H new ATOM 0 HA TYR A 37 9.682 5.571 -5.985 1.00 0.00 H new ATOM 0 HB2 TYR A 37 8.961 5.643 -3.042 1.00 0.00 H new ATOM 0 HB3 TYR A 37 10.609 5.722 -3.631 1.00 0.00 H new ATOM 0 HD1 TYR A 37 11.367 7.653 -5.026 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.444 7.565 -3.252 1.00 0.00 H new ATOM 0 HE1 TYR A 37 11.123 10.087 -5.445 1.00 0.00 H new ATOM 0 HE2 TYR A 37 7.180 9.994 -3.725 1.00 0.00 H new ATOM 0 HH TYR A 37 8.127 11.840 -4.553 1.00 0.00 H new ATOM 116 N PHE A 38 9.781 3.093 -6.273 1.00 0.00 N ATOM 117 CA PHE A 38 10.232 1.734 -6.542 1.00 0.00 C ATOM 118 C PHE A 38 11.770 1.594 -6.457 1.00 0.00 C ATOM 119 O PHE A 38 12.492 2.562 -6.199 1.00 0.00 O ATOM 120 CB PHE A 38 9.695 1.376 -7.937 1.00 0.00 C ATOM 121 CG PHE A 38 8.296 0.783 -7.923 1.00 0.00 C ATOM 122 CD1 PHE A 38 7.183 1.579 -7.586 1.00 0.00 C ATOM 123 CD2 PHE A 38 8.109 -0.575 -8.242 1.00 0.00 C ATOM 124 CE1 PHE A 38 5.892 1.021 -7.576 1.00 0.00 C ATOM 125 CE2 PHE A 38 6.821 -1.137 -8.211 1.00 0.00 C ATOM 126 CZ PHE A 38 5.711 -0.339 -7.881 1.00 0.00 C ATOM 0 H PHE A 38 9.571 3.599 -7.133 1.00 0.00 H new ATOM 0 HA PHE A 38 9.853 1.045 -5.787 1.00 0.00 H new ATOM 0 HB2 PHE A 38 9.693 2.273 -8.556 1.00 0.00 H new ATOM 0 HB3 PHE A 38 10.376 0.666 -8.407 1.00 0.00 H new ATOM 0 HD1 PHE A 38 7.322 2.620 -7.335 1.00 0.00 H new ATOM 0 HD2 PHE A 38 8.957 -1.187 -8.511 1.00 0.00 H new ATOM 0 HE1 PHE A 38 5.039 1.638 -7.334 1.00 0.00 H new ATOM 0 HE2 PHE A 38 6.684 -2.183 -8.441 1.00 0.00 H new ATOM 0 HZ PHE A 38 4.721 -0.771 -7.862 1.00 0.00 H new ATOM 136 N SER A 39 12.279 0.386 -6.710 1.00 0.00 N ATOM 137 CA SER A 39 13.707 0.057 -6.712 1.00 0.00 C ATOM 138 C SER A 39 14.026 -0.962 -7.808 1.00 0.00 C ATOM 139 O SER A 39 13.119 -1.505 -8.443 1.00 0.00 O ATOM 140 CB SER A 39 14.148 -0.443 -5.326 1.00 0.00 C ATOM 141 OG SER A 39 14.222 0.622 -4.392 1.00 0.00 O ATOM 0 H SER A 39 11.689 -0.417 -6.926 1.00 0.00 H new ATOM 0 HA SER A 39 14.273 0.962 -6.932 1.00 0.00 H new ATOM 0 HB2 SER A 39 13.445 -1.195 -4.968 1.00 0.00 H new ATOM 0 HB3 SER A 39 15.121 -0.928 -5.405 1.00 0.00 H new ATOM 0 HG SER A 39 13.844 1.434 -4.791 1.00 0.00 H new ATOM 147 N ASP A 40 15.323 -1.144 -8.081 1.00 0.00 N ATOM 148 CA ASP A 40 15.858 -1.741 -9.312 1.00 0.00 C ATOM 149 C ASP A 40 15.161 -3.049 -9.698 1.00 0.00 C ATOM 150 O ASP A 40 14.543 -3.124 -10.757 1.00 0.00 O ATOM 151 CB ASP A 40 17.386 -1.925 -9.164 1.00 0.00 C ATOM 152 CG ASP A 40 18.135 -0.647 -8.722 1.00 0.00 C ATOM 153 OD1 ASP A 40 18.033 -0.274 -7.527 1.00 0.00 O ATOM 154 OD2 ASP A 40 18.805 -0.007 -9.569 1.00 0.00 O ATOM 0 H ASP A 40 16.056 -0.870 -7.427 1.00 0.00 H new ATOM 0 HA ASP A 40 15.654 -1.057 -10.135 1.00 0.00 H new ATOM 0 HB2 ASP A 40 17.577 -2.715 -8.438 1.00 0.00 H new ATOM 0 HB3 ASP A 40 17.795 -2.262 -10.117 1.00 0.00 H new ATOM 159 N GLU A 41 15.164 -4.039 -8.800 1.00 0.00 N ATOM 160 CA GLU A 41 14.535 -5.362 -9.001 1.00 0.00 C ATOM 161 C GLU A 41 13.043 -5.270 -9.268 1.00 0.00 C ATOM 162 O GLU A 41 12.557 -5.838 -10.242 1.00 0.00 O ATOM 163 CB GLU A 41 14.724 -6.236 -7.759 1.00 0.00 C ATOM 164 CG GLU A 41 16.187 -6.570 -7.496 1.00 0.00 C ATOM 165 CD GLU A 41 16.563 -7.926 -8.083 1.00 0.00 C ATOM 166 OE1 GLU A 41 16.269 -8.167 -9.276 1.00 0.00 O ATOM 167 OE2 GLU A 41 17.161 -8.744 -7.349 1.00 0.00 O ATOM 0 H GLU A 41 15.613 -3.947 -7.889 1.00 0.00 H new ATOM 0 HA GLU A 41 15.025 -5.796 -9.873 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.311 -5.722 -6.891 1.00 0.00 H new ATOM 0 HB3 GLU A 41 14.160 -7.161 -7.881 1.00 0.00 H new ATOM 0 HG2 GLU A 41 16.822 -5.796 -7.928 1.00 0.00 H new ATOM 0 HG3 GLU A 41 16.374 -6.572 -6.422 1.00 0.00 H new ATOM 174 N GLN A 42 12.330 -4.527 -8.426 1.00 0.00 N ATOM 175 CA GLN A 42 10.872 -4.357 -8.502 1.00 0.00 C ATOM 176 C GLN A 42 10.438 -3.679 -9.813 1.00 0.00 C ATOM 177 O GLN A 42 9.438 -4.068 -10.417 1.00 0.00 O ATOM 178 CB GLN A 42 10.343 -3.556 -7.298 1.00 0.00 C ATOM 179 CG GLN A 42 10.519 -4.256 -5.938 1.00 0.00 C ATOM 180 CD GLN A 42 11.946 -4.312 -5.424 1.00 0.00 C ATOM 181 OE1 GLN A 42 12.806 -3.520 -5.787 1.00 0.00 O ATOM 182 NE2 GLN A 42 12.248 -5.266 -4.571 1.00 0.00 N ATOM 0 H GLN A 42 12.754 -4.013 -7.653 1.00 0.00 H new ATOM 0 HA GLN A 42 10.439 -5.357 -8.480 1.00 0.00 H new ATOM 0 HB2 GLN A 42 10.853 -2.593 -7.266 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.284 -3.350 -7.452 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.903 -3.742 -5.200 1.00 0.00 H new ATOM 0 HG3 GLN A 42 10.138 -5.274 -6.019 1.00 0.00 H new ATOM 0 HE21 GLN A 42 11.531 -5.926 -4.269 1.00 0.00 H new ATOM 0 HE22 GLN A 42 13.199 -5.346 -4.211 1.00 0.00 H new ATOM 191 N TYR A 43 11.221 -2.707 -10.291 1.00 0.00 N ATOM 192 CA TYR A 43 11.030 -2.068 -11.598 1.00 0.00 C ATOM 193 C TYR A 43 11.316 -3.044 -12.741 1.00 0.00 C ATOM 194 O TYR A 43 10.495 -3.253 -13.631 1.00 0.00 O ATOM 195 CB TYR A 43 11.977 -0.865 -11.720 1.00 0.00 C ATOM 196 CG TYR A 43 11.498 0.216 -12.674 1.00 0.00 C ATOM 197 CD1 TYR A 43 11.501 -0.001 -14.066 1.00 0.00 C ATOM 198 CD2 TYR A 43 11.057 1.453 -12.169 1.00 0.00 C ATOM 199 CE1 TYR A 43 11.082 1.015 -14.943 1.00 0.00 C ATOM 200 CE2 TYR A 43 10.661 2.477 -13.050 1.00 0.00 C ATOM 201 CZ TYR A 43 10.668 2.256 -14.437 1.00 0.00 C ATOM 202 OH TYR A 43 10.271 3.240 -15.293 1.00 0.00 O ATOM 0 H TYR A 43 12.018 -2.336 -9.773 1.00 0.00 H new ATOM 0 HA TYR A 43 9.991 -1.745 -11.669 1.00 0.00 H new ATOM 0 HB2 TYR A 43 12.116 -0.426 -10.732 1.00 0.00 H new ATOM 0 HB3 TYR A 43 12.953 -1.219 -12.051 1.00 0.00 H new ATOM 0 HD1 TYR A 43 11.827 -0.952 -14.461 1.00 0.00 H new ATOM 0 HD2 TYR A 43 11.022 1.617 -11.102 1.00 0.00 H new ATOM 0 HE1 TYR A 43 11.079 0.839 -16.009 1.00 0.00 H new ATOM 0 HE2 TYR A 43 10.351 3.435 -12.659 1.00 0.00 H new ATOM 0 HH TYR A 43 10.015 4.035 -14.781 1.00 0.00 H new ATOM 212 N GLN A 44 12.496 -3.657 -12.697 1.00 0.00 N ATOM 213 CA GLN A 44 13.033 -4.510 -13.766 1.00 0.00 C ATOM 214 C GLN A 44 12.248 -5.807 -13.963 1.00 0.00 C ATOM 215 O GLN A 44 12.090 -6.248 -15.095 1.00 0.00 O ATOM 216 CB GLN A 44 14.527 -4.818 -13.562 1.00 0.00 C ATOM 217 CG GLN A 44 15.464 -3.863 -14.323 1.00 0.00 C ATOM 218 CD GLN A 44 15.259 -2.398 -13.999 1.00 0.00 C ATOM 219 OE1 GLN A 44 15.906 -1.823 -13.134 1.00 0.00 O ATOM 220 NE2 GLN A 44 14.384 -1.719 -14.705 1.00 0.00 N ATOM 0 H GLN A 44 13.125 -3.575 -11.898 1.00 0.00 H new ATOM 0 HA GLN A 44 12.918 -3.926 -14.679 1.00 0.00 H new ATOM 0 HB2 GLN A 44 14.757 -4.768 -12.498 1.00 0.00 H new ATOM 0 HB3 GLN A 44 14.725 -5.840 -13.883 1.00 0.00 H new ATOM 0 HG2 GLN A 44 16.497 -4.131 -14.099 1.00 0.00 H new ATOM 0 HG3 GLN A 44 15.321 -4.010 -15.394 1.00 0.00 H new ATOM 0 HE21 GLN A 44 13.839 -2.187 -15.429 1.00 0.00 H new ATOM 0 HE22 GLN A 44 14.250 -0.723 -14.530 1.00 0.00 H new ATOM 229 N LYS A 45 11.692 -6.400 -12.907 1.00 0.00 N ATOM 230 CA LYS A 45 10.751 -7.508 -13.028 1.00 0.00 C ATOM 231 C LYS A 45 9.474 -7.099 -13.797 1.00 0.00 C ATOM 232 O LYS A 45 8.987 -7.871 -14.625 1.00 0.00 O ATOM 233 CB LYS A 45 10.419 -8.035 -11.624 1.00 0.00 C ATOM 234 CG LYS A 45 11.094 -9.363 -11.242 1.00 0.00 C ATOM 235 CD LYS A 45 12.562 -9.287 -10.778 1.00 0.00 C ATOM 236 CE LYS A 45 13.556 -8.916 -11.886 1.00 0.00 C ATOM 237 NZ LYS A 45 14.954 -9.216 -11.506 1.00 0.00 N ATOM 0 H LYS A 45 11.883 -6.124 -11.944 1.00 0.00 H new ATOM 0 HA LYS A 45 11.215 -8.303 -13.611 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.705 -7.278 -10.893 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.339 -8.161 -11.547 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.509 -9.825 -10.446 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.044 -10.030 -12.103 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.640 -8.553 -9.976 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.848 -10.251 -10.357 1.00 0.00 H new ATOM 0 HE2 LYS A 45 13.304 -9.461 -12.796 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.463 -7.854 -12.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 15.593 -8.918 -12.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 15.194 -8.703 -10.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 15.059 -10.238 -11.346 1.00 0.00 H new ATOM 251 N LEU A 46 8.961 -5.876 -13.592 1.00 0.00 N ATOM 252 CA LEU A 46 7.830 -5.371 -14.388 1.00 0.00 C ATOM 253 C LEU A 46 8.215 -4.945 -15.816 1.00 0.00 C ATOM 254 O LEU A 46 7.486 -5.214 -16.770 1.00 0.00 O ATOM 255 CB LEU A 46 7.098 -4.264 -13.604 1.00 0.00 C ATOM 256 CG LEU A 46 5.738 -4.814 -13.158 1.00 0.00 C ATOM 257 CD1 LEU A 46 5.112 -4.022 -12.025 1.00 0.00 C ATOM 258 CD2 LEU A 46 4.731 -4.785 -14.310 1.00 0.00 C ATOM 0 H LEU A 46 9.307 -5.223 -12.889 1.00 0.00 H new ATOM 0 HA LEU A 46 7.139 -6.200 -14.542 1.00 0.00 H new ATOM 0 HB2 LEU A 46 7.687 -3.958 -12.739 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.965 -3.380 -14.228 1.00 0.00 H new ATOM 0 HG LEU A 46 5.945 -5.830 -12.822 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.152 -4.465 -11.759 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.773 -4.041 -11.159 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.960 -2.990 -12.343 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.775 -5.180 -13.967 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.598 -3.758 -14.651 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.102 -5.396 -15.133 1.00 0.00 H new ATOM 270 N GLU A 47 9.404 -4.370 -15.994 1.00 0.00 N ATOM 271 CA GLU A 47 10.001 -4.057 -17.307 1.00 0.00 C ATOM 272 C GLU A 47 10.272 -5.308 -18.150 1.00 0.00 C ATOM 273 O GLU A 47 10.036 -5.307 -19.356 1.00 0.00 O ATOM 274 CB GLU A 47 11.275 -3.254 -17.088 1.00 0.00 C ATOM 275 CG GLU A 47 11.845 -2.666 -18.370 1.00 0.00 C ATOM 276 CD GLU A 47 13.095 -1.855 -18.048 1.00 0.00 C ATOM 277 OE1 GLU A 47 14.053 -2.436 -17.490 1.00 0.00 O ATOM 278 OE2 GLU A 47 13.112 -0.640 -18.344 1.00 0.00 O ATOM 0 H GLU A 47 10.001 -4.099 -15.212 1.00 0.00 H new ATOM 0 HA GLU A 47 9.283 -3.467 -17.877 1.00 0.00 H new ATOM 0 HB2 GLU A 47 11.070 -2.446 -16.386 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.025 -3.896 -16.626 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.088 -3.464 -19.072 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.102 -2.032 -18.853 1.00 0.00 H new ATOM 285 N LYS A 48 10.687 -6.406 -17.519 1.00 0.00 N ATOM 286 CA LYS A 48 10.902 -7.712 -18.144 1.00 0.00 C ATOM 287 C LYS A 48 9.601 -8.298 -18.719 1.00 0.00 C ATOM 288 O LYS A 48 9.617 -8.873 -19.806 1.00 0.00 O ATOM 289 CB LYS A 48 11.549 -8.655 -17.112 1.00 0.00 C ATOM 290 CG LYS A 48 11.869 -10.058 -17.657 1.00 0.00 C ATOM 291 CD LYS A 48 12.598 -10.890 -16.587 1.00 0.00 C ATOM 292 CE LYS A 48 12.997 -12.292 -17.076 1.00 0.00 C ATOM 293 NZ LYS A 48 11.838 -13.198 -17.239 1.00 0.00 N ATOM 0 H LYS A 48 10.891 -6.411 -16.520 1.00 0.00 H new ATOM 0 HA LYS A 48 11.575 -7.594 -18.994 1.00 0.00 H new ATOM 0 HB2 LYS A 48 12.470 -8.200 -16.747 1.00 0.00 H new ATOM 0 HB3 LYS A 48 10.881 -8.753 -16.256 1.00 0.00 H new ATOM 0 HG2 LYS A 48 10.948 -10.560 -17.953 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.489 -9.977 -18.550 1.00 0.00 H new ATOM 0 HD2 LYS A 48 13.493 -10.355 -16.268 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.956 -10.987 -15.712 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.519 -12.204 -18.029 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.699 -12.732 -16.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.168 -14.127 -17.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.352 -13.308 -16.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.179 -12.796 -17.936 1.00 0.00 H new ATOM 307 N MET A 49 8.464 -8.110 -18.040 1.00 0.00 N ATOM 308 CA MET A 49 7.149 -8.427 -18.573 1.00 0.00 C ATOM 309 C MET A 49 6.734 -7.446 -19.682 1.00 0.00 C ATOM 310 O MET A 49 6.274 -7.857 -20.748 1.00 0.00 O ATOM 311 CB MET A 49 6.146 -8.341 -17.426 1.00 0.00 C ATOM 312 CG MET A 49 6.226 -9.498 -16.427 1.00 0.00 C ATOM 313 SD MET A 49 4.692 -9.752 -15.489 1.00 0.00 S ATOM 314 CE MET A 49 4.522 -8.136 -14.693 1.00 0.00 C ATOM 0 H MET A 49 8.439 -7.729 -17.094 1.00 0.00 H new ATOM 0 HA MET A 49 7.174 -9.426 -19.008 1.00 0.00 H new ATOM 0 HB2 MET A 49 6.303 -7.404 -16.892 1.00 0.00 H new ATOM 0 HB3 MET A 49 5.139 -8.305 -17.842 1.00 0.00 H new ATOM 0 HG2 MET A 49 6.470 -10.415 -16.964 1.00 0.00 H new ATOM 0 HG3 MET A 49 7.042 -9.310 -15.729 1.00 0.00 H new ATOM 0 HE1 MET A 49 3.623 -8.127 -14.077 1.00 0.00 H new ATOM 0 HE2 MET A 49 5.393 -7.946 -14.067 1.00 0.00 H new ATOM 0 HE3 MET A 49 4.447 -7.361 -15.456 1.00 0.00 H new ATOM 324 N ALA A 50 6.953 -6.146 -19.468 1.00 0.00 N ATOM 325 CA ALA A 50 6.601 -5.093 -20.419 1.00 0.00 C ATOM 326 C ALA A 50 7.324 -5.227 -21.773 1.00 0.00 C ATOM 327 O ALA A 50 6.731 -4.967 -22.814 1.00 0.00 O ATOM 328 CB ALA A 50 6.865 -3.733 -19.773 1.00 0.00 C ATOM 0 H ALA A 50 7.387 -5.792 -18.615 1.00 0.00 H new ATOM 0 HA ALA A 50 5.541 -5.192 -20.652 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.605 -2.940 -20.475 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.258 -3.634 -18.873 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.920 -3.654 -19.510 1.00 0.00 H new ATOM 334 N ASN A 51 8.570 -5.701 -21.796 1.00 0.00 N ATOM 335 CA ASN A 51 9.335 -5.991 -23.018 1.00 0.00 C ATOM 336 C ASN A 51 8.646 -7.006 -23.963 1.00 0.00 C ATOM 337 O ASN A 51 8.824 -6.951 -25.181 1.00 0.00 O ATOM 338 CB ASN A 51 10.723 -6.468 -22.572 1.00 0.00 C ATOM 339 CG ASN A 51 11.661 -6.778 -23.729 1.00 0.00 C ATOM 340 OD1 ASN A 51 12.378 -5.914 -24.219 1.00 0.00 O ATOM 341 ND2 ASN A 51 11.718 -8.017 -24.179 1.00 0.00 N ATOM 0 H ASN A 51 9.093 -5.901 -20.943 1.00 0.00 H new ATOM 0 HA ASN A 51 9.406 -5.085 -23.620 1.00 0.00 H new ATOM 0 HB2 ASN A 51 11.176 -5.702 -21.943 1.00 0.00 H new ATOM 0 HB3 ASN A 51 10.611 -7.361 -21.957 1.00 0.00 H new ATOM 0 HD21 ASN A 51 12.359 -8.256 -24.935 1.00 0.00 H new ATOM 0 HD22 ASN A 51 11.121 -8.736 -23.771 1.00 0.00 H new ATOM 348 N GLU A 52 7.802 -7.886 -23.410 1.00 0.00 N ATOM 349 CA GLU A 52 7.009 -8.892 -24.139 1.00 0.00 C ATOM 350 C GLU A 52 5.710 -8.330 -24.729 1.00 0.00 C ATOM 351 O GLU A 52 5.006 -9.014 -25.474 1.00 0.00 O ATOM 352 CB GLU A 52 6.697 -10.118 -23.266 1.00 0.00 C ATOM 353 CG GLU A 52 7.903 -10.685 -22.508 1.00 0.00 C ATOM 354 CD GLU A 52 9.069 -11.006 -23.438 1.00 0.00 C ATOM 355 OE1 GLU A 52 8.983 -12.022 -24.166 1.00 0.00 O ATOM 356 OE2 GLU A 52 10.074 -10.260 -23.418 1.00 0.00 O ATOM 0 H GLU A 52 7.644 -7.921 -22.403 1.00 0.00 H new ATOM 0 HA GLU A 52 7.639 -9.201 -24.973 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.926 -9.847 -22.545 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.281 -10.902 -23.899 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.228 -9.966 -21.756 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.604 -11.589 -21.977 1.00 0.00 H new ATOM 363 N GLU A 53 5.425 -7.059 -24.423 1.00 0.00 N ATOM 364 CA GLU A 53 4.281 -6.239 -24.881 1.00 0.00 C ATOM 365 C GLU A 53 4.722 -4.899 -25.503 1.00 0.00 C ATOM 366 O GLU A 53 3.881 -4.111 -25.934 1.00 0.00 O ATOM 367 CB GLU A 53 3.328 -6.007 -23.699 1.00 0.00 C ATOM 368 CG GLU A 53 1.867 -5.790 -24.087 1.00 0.00 C ATOM 369 CD GLU A 53 1.154 -7.109 -24.373 1.00 0.00 C ATOM 370 OE1 GLU A 53 1.152 -7.554 -25.544 1.00 0.00 O ATOM 371 OE2 GLU A 53 0.548 -7.665 -23.426 1.00 0.00 O ATOM 0 H GLU A 53 6.033 -6.528 -23.799 1.00 0.00 H new ATOM 0 HA GLU A 53 3.767 -6.785 -25.672 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.388 -6.864 -23.029 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.673 -5.139 -23.137 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.352 -5.265 -23.283 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.816 -5.151 -24.968 1.00 0.00 H new ATOM 378 N GLU A 54 6.041 -4.657 -25.569 1.00 0.00 N ATOM 379 CA GLU A 54 6.752 -3.566 -26.281 1.00 0.00 C ATOM 380 C GLU A 54 7.040 -2.330 -25.406 1.00 0.00 C ATOM 381 O GLU A 54 6.815 -1.186 -25.805 1.00 0.00 O ATOM 382 CB GLU A 54 6.118 -3.226 -27.647 1.00 0.00 C ATOM 383 CG GLU A 54 7.159 -2.702 -28.633 1.00 0.00 C ATOM 384 CD GLU A 54 6.487 -2.310 -29.942 1.00 0.00 C ATOM 385 OE1 GLU A 54 6.339 -3.188 -30.823 1.00 0.00 O ATOM 386 OE2 GLU A 54 6.121 -1.122 -30.097 1.00 0.00 O ATOM 0 H GLU A 54 6.700 -5.268 -25.086 1.00 0.00 H new ATOM 0 HA GLU A 54 7.739 -3.969 -26.509 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.641 -4.115 -28.059 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.336 -2.479 -27.510 1.00 0.00 H new ATOM 0 HG2 GLU A 54 7.674 -1.841 -28.207 1.00 0.00 H new ATOM 0 HG3 GLU A 54 7.914 -3.466 -28.817 1.00 0.00 H new ATOM 393 N GLU A 55 7.534 -2.576 -24.185 1.00 0.00 N ATOM 394 CA GLU A 55 7.971 -1.596 -23.159 1.00 0.00 C ATOM 395 C GLU A 55 6.987 -0.447 -22.894 1.00 0.00 C ATOM 396 O GLU A 55 7.164 0.696 -23.317 1.00 0.00 O ATOM 397 CB GLU A 55 9.377 -1.041 -23.422 1.00 0.00 C ATOM 398 CG GLU A 55 10.474 -2.084 -23.649 1.00 0.00 C ATOM 399 CD GLU A 55 10.669 -2.374 -25.135 1.00 0.00 C ATOM 400 OE1 GLU A 55 11.323 -1.550 -25.816 1.00 0.00 O ATOM 401 OE2 GLU A 55 10.202 -3.430 -25.612 1.00 0.00 O ATOM 0 H GLU A 55 7.651 -3.534 -23.856 1.00 0.00 H new ATOM 0 HA GLU A 55 7.996 -2.191 -22.246 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.333 -0.392 -24.296 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.665 -0.417 -22.576 1.00 0.00 H new ATOM 0 HG2 GLU A 55 11.411 -1.728 -23.220 1.00 0.00 H new ATOM 0 HG3 GLU A 55 10.215 -3.006 -23.128 1.00 0.00 H new ATOM 408 N SER A 56 5.955 -0.773 -22.124 1.00 0.00 N ATOM 409 CA SER A 56 4.875 0.125 -21.687 1.00 0.00 C ATOM 410 C SER A 56 4.709 0.065 -20.153 1.00 0.00 C ATOM 411 O SER A 56 3.608 -0.059 -19.613 1.00 0.00 O ATOM 412 CB SER A 56 3.592 -0.222 -22.463 1.00 0.00 C ATOM 413 OG SER A 56 2.635 0.825 -22.396 1.00 0.00 O ATOM 0 H SER A 56 5.836 -1.720 -21.765 1.00 0.00 H new ATOM 0 HA SER A 56 5.120 1.162 -21.915 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.840 -0.421 -23.505 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.159 -1.137 -22.058 1.00 0.00 H new ATOM 0 HG SER A 56 1.835 0.570 -22.901 1.00 0.00 H new ATOM 419 N VAL A 57 5.839 0.051 -19.431 1.00 0.00 N ATOM 420 CA VAL A 57 5.933 -0.354 -18.008 1.00 0.00 C ATOM 421 C VAL A 57 4.935 0.377 -17.095 1.00 0.00 C ATOM 422 O VAL A 57 4.264 -0.260 -16.289 1.00 0.00 O ATOM 423 CB VAL A 57 7.358 -0.169 -17.424 1.00 0.00 C ATOM 424 CG1 VAL A 57 7.557 -1.078 -16.204 1.00 0.00 C ATOM 425 CG2 VAL A 57 8.483 -0.487 -18.418 1.00 0.00 C ATOM 0 H VAL A 57 6.739 0.327 -19.824 1.00 0.00 H new ATOM 0 HA VAL A 57 5.681 -1.414 -18.021 1.00 0.00 H new ATOM 0 HB VAL A 57 7.422 0.887 -17.161 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.562 -0.937 -15.805 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.824 -0.825 -15.438 1.00 0.00 H new ATOM 0 HG13 VAL A 57 7.427 -2.119 -16.501 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.449 -0.334 -17.936 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.400 -1.524 -18.742 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.401 0.171 -19.283 1.00 0.00 H new ATOM 435 N GLY A 58 4.768 1.693 -17.267 1.00 0.00 N ATOM 436 CA GLY A 58 3.843 2.533 -16.479 1.00 0.00 C ATOM 437 C GLY A 58 2.376 2.099 -16.575 1.00 0.00 C ATOM 438 O GLY A 58 1.655 2.056 -15.576 1.00 0.00 O ATOM 0 H GLY A 58 5.281 2.221 -17.973 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.150 2.512 -15.433 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.929 3.566 -16.816 1.00 0.00 H new ATOM 442 N SER A 59 1.952 1.696 -17.769 1.00 0.00 N ATOM 443 CA SER A 59 0.644 1.099 -18.019 1.00 0.00 C ATOM 444 C SER A 59 0.584 -0.368 -17.578 1.00 0.00 C ATOM 445 O SER A 59 -0.440 -0.811 -17.063 1.00 0.00 O ATOM 446 CB SER A 59 0.367 1.146 -19.519 1.00 0.00 C ATOM 447 OG SER A 59 0.323 2.480 -20.005 1.00 0.00 O ATOM 0 H SER A 59 2.523 1.778 -18.610 1.00 0.00 H new ATOM 0 HA SER A 59 -0.093 1.663 -17.447 1.00 0.00 H new ATOM 0 HB2 SER A 59 1.141 0.591 -20.049 1.00 0.00 H new ATOM 0 HB3 SER A 59 -0.581 0.651 -19.729 1.00 0.00 H new ATOM 0 HG SER A 59 0.145 2.471 -20.969 1.00 0.00 H new ATOM 453 N TYR A 60 1.677 -1.127 -17.732 1.00 0.00 N ATOM 454 CA TYR A 60 1.755 -2.516 -17.267 1.00 0.00 C ATOM 455 C TYR A 60 1.568 -2.612 -15.747 1.00 0.00 C ATOM 456 O TYR A 60 0.793 -3.437 -15.275 1.00 0.00 O ATOM 457 CB TYR A 60 3.074 -3.175 -17.703 1.00 0.00 C ATOM 458 CG TYR A 60 2.933 -4.659 -18.012 1.00 0.00 C ATOM 459 CD1 TYR A 60 2.609 -5.578 -16.994 1.00 0.00 C ATOM 460 CD2 TYR A 60 3.085 -5.122 -19.334 1.00 0.00 C ATOM 461 CE1 TYR A 60 2.433 -6.942 -17.292 1.00 0.00 C ATOM 462 CE2 TYR A 60 2.928 -6.490 -19.628 1.00 0.00 C ATOM 463 CZ TYR A 60 2.599 -7.399 -18.608 1.00 0.00 C ATOM 464 OH TYR A 60 2.441 -8.720 -18.905 1.00 0.00 O ATOM 0 H TYR A 60 2.530 -0.795 -18.182 1.00 0.00 H new ATOM 0 HA TYR A 60 0.936 -3.063 -17.735 1.00 0.00 H new ATOM 0 HB2 TYR A 60 3.454 -2.662 -18.586 1.00 0.00 H new ATOM 0 HB3 TYR A 60 3.815 -3.044 -16.915 1.00 0.00 H new ATOM 0 HD1 TYR A 60 2.495 -5.233 -15.977 1.00 0.00 H new ATOM 0 HD2 TYR A 60 3.323 -4.425 -20.124 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.170 -7.637 -16.508 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.061 -6.842 -20.640 1.00 0.00 H new ATOM 0 HH TYR A 60 2.592 -8.860 -19.863 1.00 0.00 H new ATOM 474 N ILE A 61 2.189 -1.701 -14.991 1.00 0.00 N ATOM 475 CA ILE A 61 2.000 -1.538 -13.533 1.00 0.00 C ATOM 476 C ILE A 61 0.506 -1.424 -13.212 1.00 0.00 C ATOM 477 O ILE A 61 -0.058 -2.246 -12.487 1.00 0.00 O ATOM 478 CB ILE A 61 2.768 -0.289 -13.024 1.00 0.00 C ATOM 479 CG1 ILE A 61 4.294 -0.508 -13.007 1.00 0.00 C ATOM 480 CG2 ILE A 61 2.336 0.148 -11.604 1.00 0.00 C ATOM 481 CD1 ILE A 61 5.066 0.798 -13.194 1.00 0.00 C ATOM 0 H ILE A 61 2.857 -1.035 -15.380 1.00 0.00 H new ATOM 0 HA ILE A 61 2.401 -2.414 -13.023 1.00 0.00 H new ATOM 0 HB ILE A 61 2.513 0.497 -13.735 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.583 -0.967 -12.062 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.568 -1.207 -13.797 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.908 1.026 -11.304 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.273 0.391 -11.605 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.522 -0.664 -10.901 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.137 0.594 -13.175 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.799 1.245 -14.152 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.814 1.488 -12.389 1.00 0.00 H new ATOM 493 N LYS A 62 -0.151 -0.434 -13.816 1.00 0.00 N ATOM 494 CA LYS A 62 -1.570 -0.182 -13.587 1.00 0.00 C ATOM 495 C LYS A 62 -2.422 -1.408 -13.972 1.00 0.00 C ATOM 496 O LYS A 62 -3.245 -1.888 -13.196 1.00 0.00 O ATOM 497 CB LYS A 62 -1.967 1.078 -14.382 1.00 0.00 C ATOM 498 CG LYS A 62 -3.389 1.575 -14.076 1.00 0.00 C ATOM 499 CD LYS A 62 -3.798 2.700 -15.040 1.00 0.00 C ATOM 500 CE LYS A 62 -5.306 2.974 -14.950 1.00 0.00 C ATOM 501 NZ LYS A 62 -5.742 4.007 -15.916 1.00 0.00 N ATOM 0 H LYS A 62 0.285 0.212 -14.474 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.757 -0.009 -12.527 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.257 1.875 -14.162 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.887 0.865 -15.448 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.093 0.747 -14.158 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.439 1.935 -13.049 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.244 3.608 -14.802 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.534 2.424 -16.061 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.854 2.050 -15.136 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.556 3.295 -13.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.780 4.006 -15.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -5.415 4.941 -15.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -5.337 3.800 -16.851 1.00 0.00 H new ATOM 515 N ARG A 63 -2.178 -1.979 -15.149 1.00 0.00 N ATOM 516 CA ARG A 63 -2.880 -3.160 -15.650 1.00 0.00 C ATOM 517 C ARG A 63 -2.664 -4.416 -14.780 1.00 0.00 C ATOM 518 O ARG A 63 -3.581 -5.217 -14.656 1.00 0.00 O ATOM 519 CB ARG A 63 -2.517 -3.377 -17.126 1.00 0.00 C ATOM 520 CG ARG A 63 -3.358 -4.487 -17.787 1.00 0.00 C ATOM 521 CD ARG A 63 -3.500 -4.304 -19.304 1.00 0.00 C ATOM 522 NE ARG A 63 -2.194 -4.220 -19.987 1.00 0.00 N ATOM 523 CZ ARG A 63 -1.692 -5.054 -20.882 1.00 0.00 C ATOM 524 NH1 ARG A 63 -2.307 -6.137 -21.275 1.00 0.00 N ATOM 525 NH2 ARG A 63 -0.532 -4.811 -21.422 1.00 0.00 N ATOM 0 H ARG A 63 -1.472 -1.627 -15.795 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.952 -2.975 -15.581 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -2.660 -2.445 -17.672 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.460 -3.633 -17.202 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.898 -5.454 -17.584 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -4.349 -4.504 -17.334 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -4.069 -5.138 -19.716 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.071 -3.398 -19.506 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.608 -3.423 -19.739 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.221 -6.374 -20.888 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.874 -6.746 -21.969 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.010 -3.977 -21.155 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -0.146 -5.455 -22.112 1.00 0.00 H new ATOM 539 N TYR A 64 -1.524 -4.576 -14.104 1.00 0.00 N ATOM 540 CA TYR A 64 -1.250 -5.716 -13.210 1.00 0.00 C ATOM 541 C TYR A 64 -2.054 -5.661 -11.902 1.00 0.00 C ATOM 542 O TYR A 64 -2.577 -6.661 -11.410 1.00 0.00 O ATOM 543 CB TYR A 64 0.258 -5.770 -12.915 1.00 0.00 C ATOM 544 CG TYR A 64 0.805 -7.146 -12.564 1.00 0.00 C ATOM 545 CD1 TYR A 64 0.444 -8.278 -13.323 1.00 0.00 C ATOM 546 CD2 TYR A 64 1.683 -7.298 -11.471 1.00 0.00 C ATOM 547 CE1 TYR A 64 0.874 -9.559 -12.931 1.00 0.00 C ATOM 548 CE2 TYR A 64 2.139 -8.578 -11.104 1.00 0.00 C ATOM 549 CZ TYR A 64 1.693 -9.712 -11.805 1.00 0.00 C ATOM 550 OH TYR A 64 2.020 -10.966 -11.388 1.00 0.00 O ATOM 0 H TYR A 64 -0.752 -3.912 -14.159 1.00 0.00 H new ATOM 0 HA TYR A 64 -1.569 -6.624 -13.722 1.00 0.00 H new ATOM 0 HB2 TYR A 64 0.795 -5.395 -13.786 1.00 0.00 H new ATOM 0 HB3 TYR A 64 0.474 -5.090 -12.091 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -0.164 -8.161 -14.208 1.00 0.00 H new ATOM 0 HD2 TYR A 64 2.006 -6.431 -10.915 1.00 0.00 H new ATOM 0 HE1 TYR A 64 0.572 -10.426 -13.499 1.00 0.00 H new ATOM 0 HE2 TYR A 64 2.832 -8.689 -10.283 1.00 0.00 H new ATOM 0 HH TYR A 64 2.361 -10.927 -10.470 1.00 0.00 H new ATOM 560 N ILE A 65 -2.231 -4.443 -11.400 1.00 0.00 N ATOM 561 CA ILE A 65 -3.150 -4.098 -10.300 1.00 0.00 C ATOM 562 C ILE A 65 -4.593 -4.391 -10.718 1.00 0.00 C ATOM 563 O ILE A 65 -5.319 -5.051 -9.984 1.00 0.00 O ATOM 564 CB ILE A 65 -2.967 -2.626 -9.854 1.00 0.00 C ATOM 565 CG1 ILE A 65 -1.602 -2.435 -9.171 1.00 0.00 C ATOM 566 CG2 ILE A 65 -4.081 -2.136 -8.910 1.00 0.00 C ATOM 567 CD1 ILE A 65 -1.146 -0.969 -9.136 1.00 0.00 C ATOM 0 H ILE A 65 -1.723 -3.633 -11.756 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.912 -4.718 -9.436 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.021 -2.026 -10.762 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.656 -2.817 -8.152 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.854 -3.030 -9.695 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.894 -1.098 -8.635 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.044 -2.210 -9.415 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.094 -2.753 -8.012 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -0.177 -0.901 -8.642 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.061 -0.590 -10.154 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.876 -0.374 -8.587 1.00 0.00 H new ATOM 579 N LEU A 66 -4.993 -3.990 -11.928 1.00 0.00 N ATOM 580 CA LEU A 66 -6.352 -4.201 -12.449 1.00 0.00 C ATOM 581 C LEU A 66 -6.624 -5.690 -12.719 1.00 0.00 C ATOM 582 O LEU A 66 -7.714 -6.192 -12.443 1.00 0.00 O ATOM 583 CB LEU A 66 -6.525 -3.362 -13.725 1.00 0.00 C ATOM 584 CG LEU A 66 -6.900 -1.876 -13.534 1.00 0.00 C ATOM 585 CD1 LEU A 66 -6.459 -1.208 -12.229 1.00 0.00 C ATOM 586 CD2 LEU A 66 -6.305 -1.072 -14.687 1.00 0.00 C ATOM 0 H LEU A 66 -4.379 -3.505 -12.582 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.079 -3.881 -11.702 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -5.594 -3.408 -14.291 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.294 -3.831 -14.338 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.990 -1.877 -13.502 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.786 -0.168 -12.224 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.904 -1.732 -11.383 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.373 -1.247 -12.149 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.561 -0.019 -14.567 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.221 -1.184 -14.687 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.708 -1.438 -15.632 1.00 0.00 H new ATOM 598 N LYS A 67 -5.606 -6.417 -13.179 1.00 0.00 N ATOM 599 CA LYS A 67 -5.634 -7.863 -13.373 1.00 0.00 C ATOM 600 C LYS A 67 -5.883 -8.604 -12.048 1.00 0.00 C ATOM 601 O LYS A 67 -6.687 -9.537 -11.990 1.00 0.00 O ATOM 602 CB LYS A 67 -4.306 -8.279 -14.024 1.00 0.00 C ATOM 603 CG LYS A 67 -4.278 -9.759 -14.431 1.00 0.00 C ATOM 604 CD LYS A 67 -2.974 -10.087 -15.178 1.00 0.00 C ATOM 605 CE LYS A 67 -2.858 -11.569 -15.572 1.00 0.00 C ATOM 606 NZ LYS A 67 -3.784 -11.953 -16.660 1.00 0.00 N ATOM 0 H LYS A 67 -4.711 -6.000 -13.435 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.462 -8.137 -14.027 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.130 -7.662 -14.905 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -3.489 -8.083 -13.329 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.365 -10.388 -13.545 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.135 -9.984 -15.066 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.913 -9.473 -16.077 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -2.125 -9.817 -14.550 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -1.834 -11.777 -15.883 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.057 -12.188 -14.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -3.660 -12.962 -16.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -4.764 -11.783 -16.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -3.579 -11.385 -17.507 1.00 0.00 H new ATOM 620 N ALA A 68 -5.245 -8.142 -10.969 1.00 0.00 N ATOM 621 CA ALA A 68 -5.529 -8.618 -9.611 1.00 0.00 C ATOM 622 C ALA A 68 -6.906 -8.153 -9.068 1.00 0.00 C ATOM 623 O ALA A 68 -7.596 -8.915 -8.387 1.00 0.00 O ATOM 624 CB ALA A 68 -4.377 -8.183 -8.699 1.00 0.00 C ATOM 0 H ALA A 68 -4.518 -7.428 -11.011 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.598 -9.706 -9.634 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -4.568 -8.527 -7.682 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.444 -8.616 -9.060 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.299 -7.096 -8.705 1.00 0.00 H new ATOM 630 N LEU A 69 -7.356 -6.942 -9.422 1.00 0.00 N ATOM 631 CA LEU A 69 -8.587 -6.300 -8.930 1.00 0.00 C ATOM 632 C LEU A 69 -9.864 -7.053 -9.327 1.00 0.00 C ATOM 633 O LEU A 69 -10.870 -7.015 -8.620 1.00 0.00 O ATOM 634 CB LEU A 69 -8.642 -4.849 -9.443 1.00 0.00 C ATOM 635 CG LEU A 69 -9.323 -3.856 -8.490 1.00 0.00 C ATOM 636 CD1 LEU A 69 -8.388 -3.492 -7.337 1.00 0.00 C ATOM 637 CD2 LEU A 69 -9.657 -2.563 -9.235 1.00 0.00 C ATOM 0 H LEU A 69 -6.852 -6.356 -10.088 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.549 -6.318 -7.841 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.625 -4.507 -9.635 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.169 -4.835 -10.397 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.228 -4.329 -8.108 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.888 -2.787 -6.672 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.127 -4.393 -6.782 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.481 -3.036 -7.734 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.140 -1.864 -8.552 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.740 -2.118 -9.621 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.330 -2.784 -10.064 1.00 0.00 H new ATOM 649 N ARG A 70 -9.794 -7.787 -10.438 1.00 0.00 N ATOM 650 CA ARG A 70 -10.843 -8.702 -10.892 1.00 0.00 C ATOM 651 C ARG A 70 -11.186 -9.815 -9.872 1.00 0.00 C ATOM 652 O ARG A 70 -12.284 -10.373 -9.916 1.00 0.00 O ATOM 653 CB ARG A 70 -10.457 -9.324 -12.246 1.00 0.00 C ATOM 654 CG ARG A 70 -10.475 -8.294 -13.387 1.00 0.00 C ATOM 655 CD ARG A 70 -10.098 -8.942 -14.723 1.00 0.00 C ATOM 656 NE ARG A 70 -10.095 -7.946 -15.810 1.00 0.00 N ATOM 657 CZ ARG A 70 -10.104 -8.190 -17.110 1.00 0.00 C ATOM 658 NH1 ARG A 70 -10.108 -9.403 -17.595 1.00 0.00 N ATOM 659 NH2 ARG A 70 -10.108 -7.202 -17.963 1.00 0.00 N ATOM 0 H ARG A 70 -8.988 -7.762 -11.062 1.00 0.00 H new ATOM 0 HA ARG A 70 -11.745 -8.100 -11.000 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -9.462 -9.763 -12.171 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -11.146 -10.135 -12.481 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -11.467 -7.848 -13.463 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -9.779 -7.486 -13.162 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -9.113 -9.402 -14.643 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -10.804 -9.739 -14.957 1.00 0.00 H new ATOM 0 HE ARG A 70 -10.085 -6.965 -15.530 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -10.104 -10.205 -16.964 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -10.115 -9.549 -18.605 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -10.104 -6.239 -17.628 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -10.115 -7.393 -18.965 1.00 0.00 H new ATOM 673 N LYS A 71 -10.259 -10.143 -8.961 1.00 0.00 N ATOM 674 CA LYS A 71 -10.381 -11.235 -7.984 1.00 0.00 C ATOM 675 C LYS A 71 -9.496 -11.041 -6.725 1.00 0.00 C ATOM 676 O LYS A 71 -8.727 -11.929 -6.348 1.00 0.00 O ATOM 677 CB LYS A 71 -10.164 -12.597 -8.686 1.00 0.00 C ATOM 678 CG LYS A 71 -8.837 -12.737 -9.455 1.00 0.00 C ATOM 679 CD LYS A 71 -8.702 -14.164 -10.013 1.00 0.00 C ATOM 680 CE LYS A 71 -7.379 -14.403 -10.753 1.00 0.00 C ATOM 681 NZ LYS A 71 -7.304 -13.681 -12.044 1.00 0.00 N ATOM 0 H LYS A 71 -9.375 -9.640 -8.881 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.398 -11.219 -7.591 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.215 -13.386 -7.936 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.987 -12.764 -9.381 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.801 -12.014 -10.270 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.999 -12.515 -8.794 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -8.786 -14.877 -9.193 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -9.531 -14.361 -10.692 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -6.551 -14.089 -10.118 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -7.256 -15.471 -10.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.390 -13.879 -12.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.076 -13.998 -12.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.393 -12.659 -11.876 1.00 0.00 H new ATOM 695 N ILE A 72 -9.585 -9.872 -6.071 1.00 0.00 N ATOM 696 CA ILE A 72 -8.837 -9.525 -4.842 1.00 0.00 C ATOM 697 C ILE A 72 -8.840 -10.647 -3.772 1.00 0.00 C ATOM 698 O ILE A 72 -7.796 -10.954 -3.184 1.00 0.00 O ATOM 699 CB ILE A 72 -9.390 -8.207 -4.239 1.00 0.00 C ATOM 700 CG1 ILE A 72 -9.569 -7.116 -5.320 1.00 0.00 C ATOM 701 CG2 ILE A 72 -8.491 -7.729 -3.082 1.00 0.00 C ATOM 702 CD1 ILE A 72 -9.696 -5.668 -4.833 1.00 0.00 C ATOM 0 H ILE A 72 -10.195 -9.118 -6.388 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.797 -9.394 -5.141 1.00 0.00 H new ATOM 0 HB ILE A 72 -10.382 -8.407 -3.833 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -8.720 -7.171 -6.001 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -10.459 -7.357 -5.901 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.891 -6.803 -2.669 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -8.463 -8.492 -2.304 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.482 -7.553 -3.454 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -9.816 -5.005 -5.690 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -10.564 -5.578 -4.180 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -8.798 -5.389 -4.282 1.00 0.00 H new ATOM 714 N GLU A 73 -10.003 -11.275 -3.544 1.00 0.00 N ATOM 715 CA GLU A 73 -10.231 -12.400 -2.613 1.00 0.00 C ATOM 716 C GLU A 73 -11.402 -13.269 -3.083 1.00 0.00 C ATOM 717 O GLU A 73 -12.476 -12.711 -3.395 1.00 0.00 O ATOM 718 CB GLU A 73 -10.474 -11.870 -1.189 1.00 0.00 C ATOM 719 CG GLU A 73 -10.490 -12.989 -0.145 1.00 0.00 C ATOM 720 CD GLU A 73 -10.632 -12.407 1.254 1.00 0.00 C ATOM 721 OE1 GLU A 73 -11.783 -12.190 1.696 1.00 0.00 O ATOM 722 OE2 GLU A 73 -9.591 -12.184 1.913 1.00 0.00 O ATOM 0 H GLU A 73 -10.858 -11.000 -4.028 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.339 -13.026 -2.600 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -9.696 -11.150 -0.934 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -11.424 -11.336 -1.160 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.315 -13.672 -0.347 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.571 -13.571 -0.212 1.00 0.00 H new TER 729 GLU A 73 ATOM 730 N THR B 31 16.787 5.981 -6.228 1.00 0.00 N ATOM 731 CA THR B 31 15.394 5.494 -6.151 1.00 0.00 C ATOM 732 C THR B 31 14.722 5.618 -7.528 1.00 0.00 C ATOM 733 O THR B 31 15.103 6.470 -8.336 1.00 0.00 O ATOM 734 CB THR B 31 14.562 6.329 -5.147 1.00 0.00 C ATOM 735 OG1 THR B 31 15.284 6.675 -3.979 1.00 0.00 O ATOM 736 CG2 THR B 31 13.290 5.630 -4.671 1.00 0.00 C ATOM 0 HA THR B 31 15.429 4.455 -5.823 1.00 0.00 H new ATOM 0 HB THR B 31 14.309 7.218 -5.724 1.00 0.00 H new ATOM 0 HG1 THR B 31 16.245 6.626 -4.162 1.00 0.00 H new ATOM 0 HG21 THR B 31 12.760 6.276 -3.971 1.00 0.00 H new ATOM 0 HG22 THR B 31 12.649 5.419 -5.527 1.00 0.00 H new ATOM 0 HG23 THR B 31 13.552 4.695 -4.175 1.00 0.00 H new ATOM 744 N ARG B 32 13.716 4.790 -7.807 1.00 0.00 N ATOM 745 CA ARG B 32 12.975 4.776 -9.078 1.00 0.00 C ATOM 746 C ARG B 32 11.586 5.435 -8.951 1.00 0.00 C ATOM 747 O ARG B 32 10.663 4.862 -8.367 1.00 0.00 O ATOM 748 CB ARG B 32 12.831 3.338 -9.603 1.00 0.00 C ATOM 749 CG ARG B 32 14.130 2.528 -9.721 1.00 0.00 C ATOM 750 CD ARG B 32 15.139 3.141 -10.700 1.00 0.00 C ATOM 751 NE ARG B 32 16.256 2.212 -10.938 1.00 0.00 N ATOM 752 CZ ARG B 32 16.248 1.172 -11.755 1.00 0.00 C ATOM 753 NH1 ARG B 32 15.236 0.868 -12.515 1.00 0.00 N ATOM 754 NH2 ARG B 32 17.249 0.348 -11.819 1.00 0.00 N ATOM 0 H ARG B 32 13.382 4.092 -7.143 1.00 0.00 H new ATOM 0 HA ARG B 32 13.553 5.364 -9.791 1.00 0.00 H new ATOM 0 HB2 ARG B 32 12.150 2.799 -8.945 1.00 0.00 H new ATOM 0 HB3 ARG B 32 12.361 3.377 -10.586 1.00 0.00 H new ATOM 0 HG2 ARG B 32 14.591 2.448 -8.737 1.00 0.00 H new ATOM 0 HG3 ARG B 32 13.890 1.515 -10.044 1.00 0.00 H new ATOM 0 HD2 ARG B 32 14.644 3.374 -11.643 1.00 0.00 H new ATOM 0 HD3 ARG B 32 15.519 4.081 -10.299 1.00 0.00 H new ATOM 0 HE ARG B 32 17.119 2.387 -10.423 1.00 0.00 H new ATOM 0 HH11 ARG B 32 14.395 1.444 -12.499 1.00 0.00 H new ATOM 0 HH12 ARG B 32 15.284 0.053 -13.127 1.00 0.00 H new ATOM 0 HH21 ARG B 32 18.069 0.495 -11.230 1.00 0.00 H new ATOM 0 HH22 ARG B 32 17.216 -0.446 -12.458 1.00 0.00 H new ATOM 768 N ALA B 33 11.423 6.630 -9.519 1.00 0.00 N ATOM 769 CA ALA B 33 10.132 7.278 -9.711 1.00 0.00 C ATOM 770 C ALA B 33 9.234 6.453 -10.654 1.00 0.00 C ATOM 771 O ALA B 33 9.639 6.038 -11.743 1.00 0.00 O ATOM 772 CB ALA B 33 10.359 8.692 -10.257 1.00 0.00 C ATOM 0 H ALA B 33 12.206 7.185 -9.866 1.00 0.00 H new ATOM 0 HA ALA B 33 9.615 7.344 -8.754 1.00 0.00 H new ATOM 0 HB1 ALA B 33 9.398 9.184 -10.404 1.00 0.00 H new ATOM 0 HB2 ALA B 33 10.955 9.265 -9.547 1.00 0.00 H new ATOM 0 HB3 ALA B 33 10.886 8.634 -11.209 1.00 0.00 H new ATOM 778 N VAL B 34 8.000 6.240 -10.212 1.00 0.00 N ATOM 779 CA VAL B 34 6.948 5.440 -10.860 1.00 0.00 C ATOM 780 C VAL B 34 5.608 6.138 -10.689 1.00 0.00 C ATOM 781 O VAL B 34 5.031 6.114 -9.611 1.00 0.00 O ATOM 782 CB VAL B 34 6.889 4.002 -10.295 1.00 0.00 C ATOM 783 CG1 VAL B 34 5.649 3.234 -10.768 1.00 0.00 C ATOM 784 CG2 VAL B 34 8.101 3.191 -10.763 1.00 0.00 C ATOM 0 H VAL B 34 7.679 6.646 -9.333 1.00 0.00 H new ATOM 0 HA VAL B 34 7.185 5.356 -11.921 1.00 0.00 H new ATOM 0 HB VAL B 34 6.866 4.113 -9.211 1.00 0.00 H new ATOM 0 HG11 VAL B 34 5.658 2.231 -10.342 1.00 0.00 H new ATOM 0 HG12 VAL B 34 4.750 3.758 -10.443 1.00 0.00 H new ATOM 0 HG13 VAL B 34 5.656 3.166 -11.856 1.00 0.00 H new ATOM 0 HG21 VAL B 34 8.043 2.182 -10.356 1.00 0.00 H new ATOM 0 HG22 VAL B 34 8.108 3.143 -11.852 1.00 0.00 H new ATOM 0 HG23 VAL B 34 9.016 3.670 -10.415 1.00 0.00 H new ATOM 794 N SER B 35 5.126 6.781 -11.747 1.00 0.00 N ATOM 795 CA SER B 35 3.881 7.561 -11.735 1.00 0.00 C ATOM 796 C SER B 35 2.870 7.150 -12.807 1.00 0.00 C ATOM 797 O SER B 35 3.224 6.885 -13.961 1.00 0.00 O ATOM 798 CB SER B 35 4.200 9.055 -11.829 1.00 0.00 C ATOM 799 OG SER B 35 3.053 9.840 -11.548 1.00 0.00 O ATOM 0 H SER B 35 5.592 6.779 -12.654 1.00 0.00 H new ATOM 0 HA SER B 35 3.394 7.343 -10.785 1.00 0.00 H new ATOM 0 HB2 SER B 35 4.996 9.305 -11.128 1.00 0.00 H new ATOM 0 HB3 SER B 35 4.569 9.289 -12.827 1.00 0.00 H new ATOM 0 HG SER B 35 3.283 10.790 -11.613 1.00 0.00 H new ATOM 805 N LEU B 36 1.601 7.093 -12.401 1.00 0.00 N ATOM 806 CA LEU B 36 0.469 6.638 -13.163 1.00 0.00 C ATOM 807 C LEU B 36 -0.785 7.497 -12.922 1.00 0.00 C ATOM 808 O LEU B 36 -0.796 8.444 -12.135 1.00 0.00 O ATOM 809 CB LEU B 36 0.230 5.154 -12.842 1.00 0.00 C ATOM 810 CG LEU B 36 0.256 4.651 -11.381 1.00 0.00 C ATOM 811 CD1 LEU B 36 -0.631 3.410 -11.255 1.00 0.00 C ATOM 812 CD2 LEU B 36 1.654 4.225 -10.925 1.00 0.00 C ATOM 0 H LEU B 36 1.333 7.388 -11.462 1.00 0.00 H new ATOM 0 HA LEU B 36 0.687 6.746 -14.226 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -0.743 4.888 -13.256 1.00 0.00 H new ATOM 0 HB3 LEU B 36 0.977 4.582 -13.392 1.00 0.00 H new ATOM 0 HG LEU B 36 -0.089 5.482 -10.766 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -0.614 3.054 -10.225 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -1.654 3.664 -11.534 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -0.258 2.628 -11.916 1.00 0.00 H new ATOM 0 HD21 LEU B 36 1.611 3.881 -9.892 1.00 0.00 H new ATOM 0 HD22 LEU B 36 2.014 3.417 -11.562 1.00 0.00 H new ATOM 0 HD23 LEU B 36 2.334 5.074 -10.997 1.00 0.00 H new ATOM 824 N TYR B 37 -1.839 7.130 -13.640 1.00 0.00 N ATOM 825 CA TYR B 37 -3.081 7.891 -13.834 1.00 0.00 C ATOM 826 C TYR B 37 -4.286 6.949 -13.718 1.00 0.00 C ATOM 827 O TYR B 37 -4.706 6.328 -14.698 1.00 0.00 O ATOM 828 CB TYR B 37 -3.006 8.616 -15.186 1.00 0.00 C ATOM 829 CG TYR B 37 -1.919 9.677 -15.227 1.00 0.00 C ATOM 830 CD1 TYR B 37 -2.145 10.939 -14.645 1.00 0.00 C ATOM 831 CD2 TYR B 37 -0.663 9.385 -15.794 1.00 0.00 C ATOM 832 CE1 TYR B 37 -1.125 11.907 -14.643 1.00 0.00 C ATOM 833 CE2 TYR B 37 0.362 10.350 -15.772 1.00 0.00 C ATOM 834 CZ TYR B 37 0.129 11.612 -15.201 1.00 0.00 C ATOM 835 OH TYR B 37 1.114 12.554 -15.183 1.00 0.00 O ATOM 0 H TYR B 37 -1.857 6.239 -14.136 1.00 0.00 H new ATOM 0 HA TYR B 37 -3.206 8.649 -13.061 1.00 0.00 H new ATOM 0 HB2 TYR B 37 -2.824 7.886 -15.975 1.00 0.00 H new ATOM 0 HB3 TYR B 37 -3.969 9.081 -15.398 1.00 0.00 H new ATOM 0 HD1 TYR B 37 -3.103 11.164 -14.200 1.00 0.00 H new ATOM 0 HD2 TYR B 37 -0.486 8.420 -16.246 1.00 0.00 H new ATOM 0 HE1 TYR B 37 -1.307 12.880 -14.211 1.00 0.00 H new ATOM 0 HE2 TYR B 37 1.329 10.120 -16.195 1.00 0.00 H new ATOM 0 HH TYR B 37 1.920 12.193 -15.607 1.00 0.00 H new ATOM 845 N PHE B 38 -4.787 6.759 -12.496 1.00 0.00 N ATOM 846 CA PHE B 38 -5.962 5.944 -12.208 1.00 0.00 C ATOM 847 C PHE B 38 -7.267 6.643 -12.641 1.00 0.00 C ATOM 848 O PHE B 38 -7.239 7.764 -13.152 1.00 0.00 O ATOM 849 CB PHE B 38 -5.946 5.643 -10.701 1.00 0.00 C ATOM 850 CG PHE B 38 -5.195 4.377 -10.325 1.00 0.00 C ATOM 851 CD1 PHE B 38 -5.598 3.133 -10.853 1.00 0.00 C ATOM 852 CD2 PHE B 38 -4.116 4.426 -9.423 1.00 0.00 C ATOM 853 CE1 PHE B 38 -4.928 1.953 -10.483 1.00 0.00 C ATOM 854 CE2 PHE B 38 -3.454 3.245 -9.047 1.00 0.00 C ATOM 855 CZ PHE B 38 -3.857 2.010 -9.578 1.00 0.00 C ATOM 0 H PHE B 38 -4.376 7.178 -11.662 1.00 0.00 H new ATOM 0 HA PHE B 38 -5.928 5.016 -12.779 1.00 0.00 H new ATOM 0 HB2 PHE B 38 -5.496 6.487 -10.178 1.00 0.00 H new ATOM 0 HB3 PHE B 38 -6.974 5.560 -10.348 1.00 0.00 H new ATOM 0 HD1 PHE B 38 -6.426 3.086 -11.545 1.00 0.00 H new ATOM 0 HD2 PHE B 38 -3.796 5.375 -9.018 1.00 0.00 H new ATOM 0 HE1 PHE B 38 -5.238 1.004 -10.895 1.00 0.00 H new ATOM 0 HE2 PHE B 38 -2.633 3.288 -8.347 1.00 0.00 H new ATOM 0 HZ PHE B 38 -3.343 1.104 -9.290 1.00 0.00 H new ATOM 865 N SER B 39 -8.409 6.008 -12.380 1.00 0.00 N ATOM 866 CA SER B 39 -9.723 6.657 -12.395 1.00 0.00 C ATOM 867 C SER B 39 -10.519 6.327 -11.124 1.00 0.00 C ATOM 868 O SER B 39 -10.113 5.470 -10.333 1.00 0.00 O ATOM 869 CB SER B 39 -10.510 6.291 -13.667 1.00 0.00 C ATOM 870 OG SER B 39 -9.813 6.657 -14.850 1.00 0.00 O ATOM 0 H SER B 39 -8.450 5.015 -12.149 1.00 0.00 H new ATOM 0 HA SER B 39 -9.563 7.735 -12.409 1.00 0.00 H new ATOM 0 HB2 SER B 39 -10.703 5.218 -13.677 1.00 0.00 H new ATOM 0 HB3 SER B 39 -11.479 6.789 -13.649 1.00 0.00 H new ATOM 0 HG SER B 39 -10.345 6.406 -15.634 1.00 0.00 H new ATOM 876 N ASP B 40 -11.618 7.054 -10.891 1.00 0.00 N ATOM 877 CA ASP B 40 -12.332 7.100 -9.604 1.00 0.00 C ATOM 878 C ASP B 40 -12.677 5.725 -9.028 1.00 0.00 C ATOM 879 O ASP B 40 -12.478 5.501 -7.837 1.00 0.00 O ATOM 880 CB ASP B 40 -13.608 7.952 -9.747 1.00 0.00 C ATOM 881 CG ASP B 40 -13.324 9.418 -10.132 1.00 0.00 C ATOM 882 OD1 ASP B 40 -13.141 9.696 -11.343 1.00 0.00 O ATOM 883 OD2 ASP B 40 -13.285 10.287 -9.227 1.00 0.00 O ATOM 0 H ASP B 40 -12.047 7.641 -11.606 1.00 0.00 H new ATOM 0 HA ASP B 40 -11.645 7.555 -8.891 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -14.253 7.504 -10.503 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -14.158 7.931 -8.806 1.00 0.00 H new ATOM 888 N GLU B 41 -13.158 4.790 -9.852 1.00 0.00 N ATOM 889 CA GLU B 41 -13.527 3.421 -9.427 1.00 0.00 C ATOM 890 C GLU B 41 -12.337 2.631 -8.899 1.00 0.00 C ATOM 891 O GLU B 41 -12.389 2.093 -7.797 1.00 0.00 O ATOM 892 CB GLU B 41 -14.141 2.639 -10.593 1.00 0.00 C ATOM 893 CG GLU B 41 -15.427 3.262 -11.129 1.00 0.00 C ATOM 894 CD GLU B 41 -16.652 2.569 -10.546 1.00 0.00 C ATOM 895 OE1 GLU B 41 -17.066 2.930 -9.422 1.00 0.00 O ATOM 896 OE2 GLU B 41 -17.202 1.668 -11.219 1.00 0.00 O ATOM 0 H GLU B 41 -13.307 4.957 -10.847 1.00 0.00 H new ATOM 0 HA GLU B 41 -14.251 3.541 -8.621 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -13.413 2.575 -11.401 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -14.348 1.619 -10.268 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -15.452 4.323 -10.881 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -15.446 3.188 -12.216 1.00 0.00 H new ATOM 903 N GLN B 42 -11.247 2.617 -9.661 1.00 0.00 N ATOM 904 CA GLN B 42 -9.969 1.982 -9.300 1.00 0.00 C ATOM 905 C GLN B 42 -9.347 2.633 -8.057 1.00 0.00 C ATOM 906 O GLN B 42 -8.928 1.937 -7.133 1.00 0.00 O ATOM 907 CB GLN B 42 -8.976 2.048 -10.473 1.00 0.00 C ATOM 908 CG GLN B 42 -9.401 1.247 -11.717 1.00 0.00 C ATOM 909 CD GLN B 42 -10.571 1.829 -12.485 1.00 0.00 C ATOM 910 OE1 GLN B 42 -10.823 3.026 -12.477 1.00 0.00 O ATOM 911 NE2 GLN B 42 -11.332 0.999 -13.162 1.00 0.00 N ATOM 0 H GLN B 42 -11.221 3.061 -10.579 1.00 0.00 H new ATOM 0 HA GLN B 42 -10.181 0.938 -9.070 1.00 0.00 H new ATOM 0 HB2 GLN B 42 -8.839 3.091 -10.758 1.00 0.00 H new ATOM 0 HB3 GLN B 42 -8.008 1.680 -10.133 1.00 0.00 H new ATOM 0 HG2 GLN B 42 -8.547 1.169 -12.390 1.00 0.00 H new ATOM 0 HG3 GLN B 42 -9.657 0.233 -11.408 1.00 0.00 H new ATOM 0 HE21 GLN B 42 -11.120 0.001 -13.167 1.00 0.00 H new ATOM 0 HE22 GLN B 42 -12.135 1.352 -13.682 1.00 0.00 H new ATOM 920 N TYR B 43 -9.349 3.966 -7.981 1.00 0.00 N ATOM 921 CA TYR B 43 -8.796 4.699 -6.837 1.00 0.00 C ATOM 922 C TYR B 43 -9.585 4.415 -5.547 1.00 0.00 C ATOM 923 O TYR B 43 -9.009 4.189 -4.482 1.00 0.00 O ATOM 924 CB TYR B 43 -8.787 6.196 -7.166 1.00 0.00 C ATOM 925 CG TYR B 43 -7.974 7.032 -6.195 1.00 0.00 C ATOM 926 CD1 TYR B 43 -6.572 7.073 -6.314 1.00 0.00 C ATOM 927 CD2 TYR B 43 -8.615 7.776 -5.187 1.00 0.00 C ATOM 928 CE1 TYR B 43 -5.813 7.863 -5.428 1.00 0.00 C ATOM 929 CE2 TYR B 43 -7.852 8.565 -4.303 1.00 0.00 C ATOM 930 CZ TYR B 43 -6.455 8.608 -4.426 1.00 0.00 C ATOM 931 OH TYR B 43 -5.727 9.385 -3.573 1.00 0.00 O ATOM 0 H TYR B 43 -9.733 4.568 -8.709 1.00 0.00 H new ATOM 0 HA TYR B 43 -7.775 4.361 -6.657 1.00 0.00 H new ATOM 0 HB2 TYR B 43 -8.390 6.335 -8.171 1.00 0.00 H new ATOM 0 HB3 TYR B 43 -9.813 6.563 -7.175 1.00 0.00 H new ATOM 0 HD1 TYR B 43 -6.078 6.499 -7.084 1.00 0.00 H new ATOM 0 HD2 TYR B 43 -9.690 7.742 -5.091 1.00 0.00 H new ATOM 0 HE1 TYR B 43 -4.737 7.895 -5.520 1.00 0.00 H new ATOM 0 HE2 TYR B 43 -8.343 9.137 -3.530 1.00 0.00 H new ATOM 0 HH TYR B 43 -6.330 9.833 -2.943 1.00 0.00 H new ATOM 941 N GLN B 44 -10.912 4.330 -5.667 1.00 0.00 N ATOM 942 CA GLN B 44 -11.822 3.959 -4.581 1.00 0.00 C ATOM 943 C GLN B 44 -11.673 2.496 -4.161 1.00 0.00 C ATOM 944 O GLN B 44 -11.680 2.209 -2.969 1.00 0.00 O ATOM 945 CB GLN B 44 -13.282 4.214 -4.969 1.00 0.00 C ATOM 946 CG GLN B 44 -13.650 5.698 -4.853 1.00 0.00 C ATOM 947 CD GLN B 44 -15.033 5.955 -5.405 1.00 0.00 C ATOM 948 OE1 GLN B 44 -15.997 6.143 -4.673 1.00 0.00 O ATOM 949 NE2 GLN B 44 -15.167 5.957 -6.712 1.00 0.00 N ATOM 0 H GLN B 44 -11.395 4.522 -6.544 1.00 0.00 H new ATOM 0 HA GLN B 44 -11.547 4.589 -3.735 1.00 0.00 H new ATOM 0 HB2 GLN B 44 -13.451 3.876 -5.992 1.00 0.00 H new ATOM 0 HB3 GLN B 44 -13.937 3.626 -4.327 1.00 0.00 H new ATOM 0 HG2 GLN B 44 -13.608 6.007 -3.808 1.00 0.00 H new ATOM 0 HG3 GLN B 44 -12.920 6.301 -5.393 1.00 0.00 H new ATOM 0 HE21 GLN B 44 -14.355 5.799 -7.308 1.00 0.00 H new ATOM 0 HE22 GLN B 44 -16.083 6.117 -7.130 1.00 0.00 H new ATOM 958 N LYS B 45 -11.501 1.569 -5.105 1.00 0.00 N ATOM 959 CA LYS B 45 -11.218 0.162 -4.798 1.00 0.00 C ATOM 960 C LYS B 45 -9.917 -0.006 -3.988 1.00 0.00 C ATOM 961 O LYS B 45 -9.891 -0.740 -2.998 1.00 0.00 O ATOM 962 CB LYS B 45 -11.156 -0.673 -6.093 1.00 0.00 C ATOM 963 CG LYS B 45 -11.941 -1.995 -5.995 1.00 0.00 C ATOM 964 CD LYS B 45 -13.375 -1.900 -6.550 1.00 0.00 C ATOM 965 CE LYS B 45 -14.238 -0.839 -5.853 1.00 0.00 C ATOM 966 NZ LYS B 45 -15.607 -0.789 -6.415 1.00 0.00 N ATOM 0 H LYS B 45 -11.553 1.770 -6.104 1.00 0.00 H new ATOM 0 HA LYS B 45 -12.037 -0.203 -4.178 1.00 0.00 H new ATOM 0 HB2 LYS B 45 -11.552 -0.082 -6.919 1.00 0.00 H new ATOM 0 HB3 LYS B 45 -10.114 -0.892 -6.328 1.00 0.00 H new ATOM 0 HG2 LYS B 45 -11.400 -2.771 -6.538 1.00 0.00 H new ATOM 0 HG3 LYS B 45 -11.984 -2.307 -4.951 1.00 0.00 H new ATOM 0 HD2 LYS B 45 -13.328 -1.675 -7.615 1.00 0.00 H new ATOM 0 HD3 LYS B 45 -13.859 -2.872 -6.450 1.00 0.00 H new ATOM 0 HE2 LYS B 45 -14.291 -1.056 -4.786 1.00 0.00 H new ATOM 0 HE3 LYS B 45 -13.767 0.138 -5.956 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 -16.160 -0.061 -5.919 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 -15.558 -0.557 -7.428 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 -16.066 -1.714 -6.294 1.00 0.00 H new ATOM 980 N LEU B 46 -8.853 0.717 -4.358 1.00 0.00 N ATOM 981 CA LEU B 46 -7.598 0.728 -3.605 1.00 0.00 C ATOM 982 C LEU B 46 -7.764 1.356 -2.207 1.00 0.00 C ATOM 983 O LEU B 46 -7.310 0.788 -1.214 1.00 0.00 O ATOM 984 CB LEU B 46 -6.554 1.449 -4.454 1.00 0.00 C ATOM 985 CG LEU B 46 -5.810 0.568 -5.475 1.00 0.00 C ATOM 986 CD1 LEU B 46 -4.643 -0.193 -4.836 1.00 0.00 C ATOM 987 CD2 LEU B 46 -6.630 -0.467 -6.249 1.00 0.00 C ATOM 0 H LEU B 46 -8.840 1.310 -5.188 1.00 0.00 H new ATOM 0 HA LEU B 46 -7.269 -0.293 -3.413 1.00 0.00 H new ATOM 0 HB2 LEU B 46 -7.044 2.262 -4.990 1.00 0.00 H new ATOM 0 HB3 LEU B 46 -5.820 1.903 -3.789 1.00 0.00 H new ATOM 0 HG LEU B 46 -5.487 1.321 -6.194 1.00 0.00 H new ATOM 0 HD11 LEU B 46 -4.147 -0.801 -5.593 1.00 0.00 H new ATOM 0 HD12 LEU B 46 -3.930 0.518 -4.418 1.00 0.00 H new ATOM 0 HD13 LEU B 46 -5.020 -0.838 -4.042 1.00 0.00 H new ATOM 0 HD21 LEU B 46 -5.977 -1.013 -6.930 1.00 0.00 H new ATOM 0 HD22 LEU B 46 -7.089 -1.165 -5.549 1.00 0.00 H new ATOM 0 HD23 LEU B 46 -7.408 0.039 -6.820 1.00 0.00 H new ATOM 999 N GLU B 47 -8.489 2.475 -2.105 1.00 0.00 N ATOM 1000 CA GLU B 47 -8.866 3.104 -0.820 1.00 0.00 C ATOM 1001 C GLU B 47 -9.710 2.195 0.074 1.00 0.00 C ATOM 1002 O GLU B 47 -9.497 2.151 1.284 1.00 0.00 O ATOM 1003 CB GLU B 47 -9.594 4.432 -1.071 1.00 0.00 C ATOM 1004 CG GLU B 47 -9.824 5.253 0.196 1.00 0.00 C ATOM 1005 CD GLU B 47 -10.650 6.487 -0.139 1.00 0.00 C ATOM 1006 OE1 GLU B 47 -11.898 6.375 -0.141 1.00 0.00 O ATOM 1007 OE2 GLU B 47 -10.057 7.560 -0.385 1.00 0.00 O ATOM 0 H GLU B 47 -8.838 2.981 -2.919 1.00 0.00 H new ATOM 0 HA GLU B 47 -7.937 3.290 -0.281 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -9.015 5.026 -1.778 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -10.556 4.226 -1.540 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -10.339 4.650 0.944 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -8.868 5.549 0.628 1.00 0.00 H new ATOM 1014 N LYS B 48 -10.627 1.421 -0.504 1.00 0.00 N ATOM 1015 CA LYS B 48 -11.499 0.497 0.226 1.00 0.00 C ATOM 1016 C LYS B 48 -10.701 -0.617 0.930 1.00 0.00 C ATOM 1017 O LYS B 48 -11.004 -0.977 2.068 1.00 0.00 O ATOM 1018 CB LYS B 48 -12.552 -0.100 -0.732 1.00 0.00 C ATOM 1019 CG LYS B 48 -13.783 -0.686 -0.016 1.00 0.00 C ATOM 1020 CD LYS B 48 -14.983 0.274 0.132 1.00 0.00 C ATOM 1021 CE LYS B 48 -14.733 1.554 0.948 1.00 0.00 C ATOM 1022 NZ LYS B 48 -14.306 2.704 0.115 1.00 0.00 N ATOM 0 H LYS B 48 -10.789 1.417 -1.511 1.00 0.00 H new ATOM 0 HA LYS B 48 -12.007 1.062 1.007 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -12.881 0.675 -1.424 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -12.084 -0.883 -1.329 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -14.112 -1.571 -0.561 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -13.481 -1.018 0.977 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -15.315 0.563 -0.865 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -15.804 -0.273 0.596 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -15.645 1.820 1.483 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -13.969 1.355 1.700 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -14.186 3.543 0.717 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -13.403 2.480 -0.350 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -15.029 2.896 -0.608 1.00 0.00 H new ATOM 1036 N MET B 49 -9.640 -1.117 0.289 1.00 0.00 N ATOM 1037 CA MET B 49 -8.691 -2.040 0.884 1.00 0.00 C ATOM 1038 C MET B 49 -7.780 -1.339 1.903 1.00 0.00 C ATOM 1039 O MET B 49 -7.592 -1.822 3.019 1.00 0.00 O ATOM 1040 CB MET B 49 -7.822 -2.575 -0.246 1.00 0.00 C ATOM 1041 CG MET B 49 -8.504 -3.592 -1.158 1.00 0.00 C ATOM 1042 SD MET B 49 -7.330 -4.440 -2.250 1.00 0.00 S ATOM 1043 CE MET B 49 -6.725 -3.031 -3.211 1.00 0.00 C ATOM 0 H MET B 49 -9.420 -0.881 -0.679 1.00 0.00 H new ATOM 0 HA MET B 49 -9.234 -2.829 1.404 1.00 0.00 H new ATOM 0 HB2 MET B 49 -7.483 -1.735 -0.853 1.00 0.00 H new ATOM 0 HB3 MET B 49 -6.933 -3.035 0.186 1.00 0.00 H new ATOM 0 HG2 MET B 49 -9.026 -4.329 -0.548 1.00 0.00 H new ATOM 0 HG3 MET B 49 -9.257 -3.086 -1.762 1.00 0.00 H new ATOM 0 HE1 MET B 49 -6.070 -3.387 -4.006 1.00 0.00 H new ATOM 0 HE2 MET B 49 -7.570 -2.499 -3.648 1.00 0.00 H new ATOM 0 HE3 MET B 49 -6.170 -2.357 -2.558 1.00 0.00 H new ATOM 1053 N ALA B 50 -7.257 -0.164 1.542 1.00 0.00 N ATOM 1054 CA ALA B 50 -6.356 0.619 2.383 1.00 0.00 C ATOM 1055 C ALA B 50 -6.988 1.018 3.729 1.00 0.00 C ATOM 1056 O ALA B 50 -6.324 0.962 4.758 1.00 0.00 O ATOM 1057 CB ALA B 50 -5.890 1.842 1.598 1.00 0.00 C ATOM 0 H ALA B 50 -7.453 0.274 0.642 1.00 0.00 H new ATOM 0 HA ALA B 50 -5.499 -0.003 2.639 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -5.216 2.436 2.216 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -5.367 1.519 0.698 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -6.753 2.446 1.319 1.00 0.00 H new ATOM 1063 N ASN B 51 -8.282 1.348 3.762 1.00 0.00 N ATOM 1064 CA ASN B 51 -9.023 1.662 4.988 1.00 0.00 C ATOM 1065 C ASN B 51 -9.020 0.513 6.028 1.00 0.00 C ATOM 1066 O ASN B 51 -9.072 0.765 7.232 1.00 0.00 O ATOM 1067 CB ASN B 51 -10.445 2.072 4.582 1.00 0.00 C ATOM 1068 CG ASN B 51 -11.281 2.518 5.773 1.00 0.00 C ATOM 1069 OD1 ASN B 51 -10.975 3.497 6.440 1.00 0.00 O ATOM 1070 ND2 ASN B 51 -12.360 1.820 6.072 1.00 0.00 N ATOM 0 H ASN B 51 -8.856 1.406 2.921 1.00 0.00 H new ATOM 0 HA ASN B 51 -8.522 2.483 5.501 1.00 0.00 H new ATOM 0 HB2 ASN B 51 -10.393 2.882 3.854 1.00 0.00 H new ATOM 0 HB3 ASN B 51 -10.936 1.232 4.090 1.00 0.00 H new ATOM 0 HD21 ASN B 51 -12.943 2.096 6.862 1.00 0.00 H new ATOM 0 HD22 ASN B 51 -12.611 1.005 5.513 1.00 0.00 H new ATOM 1077 N GLU B 52 -8.895 -0.742 5.574 1.00 0.00 N ATOM 1078 CA GLU B 52 -8.760 -1.948 6.416 1.00 0.00 C ATOM 1079 C GLU B 52 -7.371 -2.090 7.057 1.00 0.00 C ATOM 1080 O GLU B 52 -7.225 -2.728 8.099 1.00 0.00 O ATOM 1081 CB GLU B 52 -9.103 -3.209 5.604 1.00 0.00 C ATOM 1082 CG GLU B 52 -9.543 -4.376 6.486 1.00 0.00 C ATOM 1083 CD GLU B 52 -10.002 -5.540 5.619 1.00 0.00 C ATOM 1084 OE1 GLU B 52 -9.150 -6.374 5.241 1.00 0.00 O ATOM 1085 OE2 GLU B 52 -11.218 -5.630 5.335 1.00 0.00 O ATOM 0 H GLU B 52 -8.884 -0.957 4.577 1.00 0.00 H new ATOM 0 HA GLU B 52 -9.470 -1.833 7.235 1.00 0.00 H new ATOM 0 HB2 GLU B 52 -9.897 -2.975 4.895 1.00 0.00 H new ATOM 0 HB3 GLU B 52 -8.233 -3.508 5.020 1.00 0.00 H new ATOM 0 HG2 GLU B 52 -8.718 -4.691 7.125 1.00 0.00 H new ATOM 0 HG3 GLU B 52 -10.353 -4.060 7.144 1.00 0.00 H new ATOM 1092 N GLU B 53 -6.364 -1.434 6.467 1.00 0.00 N ATOM 1093 CA GLU B 53 -4.968 -1.311 6.954 1.00 0.00 C ATOM 1094 C GLU B 53 -4.681 0.045 7.628 1.00 0.00 C ATOM 1095 O GLU B 53 -3.608 0.237 8.200 1.00 0.00 O ATOM 1096 CB GLU B 53 -3.998 -1.555 5.783 1.00 0.00 C ATOM 1097 CG GLU B 53 -2.612 -2.027 6.226 1.00 0.00 C ATOM 1098 CD GLU B 53 -1.730 -2.286 5.012 1.00 0.00 C ATOM 1099 OE1 GLU B 53 -1.148 -1.310 4.488 1.00 0.00 O ATOM 1100 OE2 GLU B 53 -1.595 -3.466 4.617 1.00 0.00 O ATOM 0 H GLU B 53 -6.501 -0.943 5.584 1.00 0.00 H new ATOM 0 HA GLU B 53 -4.820 -2.067 7.725 1.00 0.00 H new ATOM 0 HB2 GLU B 53 -4.429 -2.299 5.113 1.00 0.00 H new ATOM 0 HB3 GLU B 53 -3.893 -0.633 5.210 1.00 0.00 H new ATOM 0 HG2 GLU B 53 -2.151 -1.274 6.865 1.00 0.00 H new ATOM 0 HG3 GLU B 53 -2.702 -2.937 6.819 1.00 0.00 H new ATOM 1107 N GLU B 54 -5.657 0.967 7.587 1.00 0.00 N ATOM 1108 CA GLU B 54 -5.739 2.294 8.252 1.00 0.00 C ATOM 1109 C GLU B 54 -5.353 3.467 7.327 1.00 0.00 C ATOM 1110 O GLU B 54 -4.649 4.400 7.710 1.00 0.00 O ATOM 1111 CB GLU B 54 -5.044 2.336 9.630 1.00 0.00 C ATOM 1112 CG GLU B 54 -5.705 3.352 10.559 1.00 0.00 C ATOM 1113 CD GLU B 54 -4.941 3.431 11.874 1.00 0.00 C ATOM 1114 OE1 GLU B 54 -5.252 2.638 12.793 1.00 0.00 O ATOM 1115 OE2 GLU B 54 -4.044 4.295 11.996 1.00 0.00 O ATOM 0 H GLU B 54 -6.496 0.792 7.034 1.00 0.00 H new ATOM 0 HA GLU B 54 -6.797 2.441 8.468 1.00 0.00 H new ATOM 0 HB2 GLU B 54 -5.079 1.347 10.087 1.00 0.00 H new ATOM 0 HB3 GLU B 54 -3.992 2.590 9.501 1.00 0.00 H new ATOM 0 HG2 GLU B 54 -5.727 4.332 10.082 1.00 0.00 H new ATOM 0 HG3 GLU B 54 -6.740 3.066 10.747 1.00 0.00 H new ATOM 1122 N GLU B 55 -5.836 3.401 6.080 1.00 0.00 N ATOM 1123 CA GLU B 55 -5.708 4.398 4.991 1.00 0.00 C ATOM 1124 C GLU B 55 -4.263 4.742 4.628 1.00 0.00 C ATOM 1125 O GLU B 55 -3.740 5.826 4.887 1.00 0.00 O ATOM 1126 CB GLU B 55 -6.541 5.657 5.243 1.00 0.00 C ATOM 1127 CG GLU B 55 -8.021 5.371 5.497 1.00 0.00 C ATOM 1128 CD GLU B 55 -8.772 6.683 5.680 1.00 0.00 C ATOM 1129 OE1 GLU B 55 -8.819 7.191 6.823 1.00 0.00 O ATOM 1130 OE2 GLU B 55 -9.315 7.203 4.680 1.00 0.00 O ATOM 0 H GLU B 55 -6.370 2.587 5.774 1.00 0.00 H new ATOM 0 HA GLU B 55 -6.124 3.902 4.114 1.00 0.00 H new ATOM 0 HB2 GLU B 55 -6.130 6.189 6.101 1.00 0.00 H new ATOM 0 HB3 GLU B 55 -6.450 6.321 4.383 1.00 0.00 H new ATOM 0 HG2 GLU B 55 -8.442 4.813 4.661 1.00 0.00 H new ATOM 0 HG3 GLU B 55 -8.134 4.749 6.385 1.00 0.00 H new ATOM 1137 N SER B 56 -3.636 3.774 3.975 1.00 0.00 N ATOM 1138 CA SER B 56 -2.226 3.731 3.572 1.00 0.00 C ATOM 1139 C SER B 56 -2.057 3.766 2.037 1.00 0.00 C ATOM 1140 O SER B 56 -1.108 3.207 1.489 1.00 0.00 O ATOM 1141 CB SER B 56 -1.603 2.460 4.175 1.00 0.00 C ATOM 1142 OG SER B 56 -2.303 1.301 3.743 1.00 0.00 O ATOM 0 H SER B 56 -4.133 2.931 3.688 1.00 0.00 H new ATOM 0 HA SER B 56 -1.714 4.618 3.947 1.00 0.00 H new ATOM 0 HB2 SER B 56 -0.556 2.388 3.881 1.00 0.00 H new ATOM 0 HB3 SER B 56 -1.626 2.520 5.263 1.00 0.00 H new ATOM 0 HG SER B 56 -1.827 0.500 4.046 1.00 0.00 H new ATOM 1148 N VAL B 57 -3.021 4.359 1.313 1.00 0.00 N ATOM 1149 CA VAL B 57 -3.334 4.020 -0.096 1.00 0.00 C ATOM 1150 C VAL B 57 -2.120 3.986 -1.041 1.00 0.00 C ATOM 1151 O VAL B 57 -1.939 3.021 -1.779 1.00 0.00 O ATOM 1152 CB VAL B 57 -4.414 4.944 -0.716 1.00 0.00 C ATOM 1153 CG1 VAL B 57 -5.102 4.243 -1.895 1.00 0.00 C ATOM 1154 CG2 VAL B 57 -5.517 5.372 0.264 1.00 0.00 C ATOM 0 H VAL B 57 -3.615 5.097 1.690 1.00 0.00 H new ATOM 0 HA VAL B 57 -3.719 3.003 -0.015 1.00 0.00 H new ATOM 0 HB VAL B 57 -3.872 5.837 -1.027 1.00 0.00 H new ATOM 0 HG11 VAL B 57 -5.858 4.903 -2.320 1.00 0.00 H new ATOM 0 HG12 VAL B 57 -4.361 4.001 -2.657 1.00 0.00 H new ATOM 0 HG13 VAL B 57 -5.577 3.326 -1.546 1.00 0.00 H new ATOM 0 HG21 VAL B 57 -6.231 6.016 -0.250 1.00 0.00 H new ATOM 0 HG22 VAL B 57 -6.032 4.488 0.641 1.00 0.00 H new ATOM 0 HG23 VAL B 57 -5.072 5.916 1.097 1.00 0.00 H new ATOM 1164 N GLY B 58 -1.237 4.987 -0.976 1.00 0.00 N ATOM 1165 CA GLY B 58 -0.015 5.058 -1.799 1.00 0.00 C ATOM 1166 C GLY B 58 0.950 3.889 -1.566 1.00 0.00 C ATOM 1167 O GLY B 58 1.475 3.299 -2.509 1.00 0.00 O ATOM 0 H GLY B 58 -1.347 5.781 -0.346 1.00 0.00 H new ATOM 0 HA2 GLY B 58 -0.297 5.082 -2.852 1.00 0.00 H new ATOM 0 HA3 GLY B 58 0.502 5.993 -1.586 1.00 0.00 H new ATOM 1171 N SER B 59 1.118 3.482 -0.311 1.00 0.00 N ATOM 1172 CA SER B 59 1.866 2.288 0.070 1.00 0.00 C ATOM 1173 C SER B 59 1.118 1.000 -0.293 1.00 0.00 C ATOM 1174 O SER B 59 1.742 0.026 -0.713 1.00 0.00 O ATOM 1175 CB SER B 59 2.085 2.297 1.582 1.00 0.00 C ATOM 1176 OG SER B 59 2.731 3.481 2.030 1.00 0.00 O ATOM 0 H SER B 59 0.729 3.984 0.487 1.00 0.00 H new ATOM 0 HA SER B 59 2.811 2.306 -0.472 1.00 0.00 H new ATOM 0 HB2 SER B 59 1.124 2.198 2.086 1.00 0.00 H new ATOM 0 HB3 SER B 59 2.683 1.431 1.865 1.00 0.00 H new ATOM 0 HG SER B 59 2.848 3.442 3.002 1.00 0.00 H new ATOM 1182 N TYR B 60 -0.217 0.988 -0.188 1.00 0.00 N ATOM 1183 CA TYR B 60 -1.045 -0.165 -0.562 1.00 0.00 C ATOM 1184 C TYR B 60 -0.897 -0.524 -2.048 1.00 0.00 C ATOM 1185 O TYR B 60 -0.743 -1.688 -2.405 1.00 0.00 O ATOM 1186 CB TYR B 60 -2.522 0.092 -0.228 1.00 0.00 C ATOM 1187 CG TYR B 60 -3.263 -1.197 0.083 1.00 0.00 C ATOM 1188 CD1 TYR B 60 -3.638 -2.071 -0.958 1.00 0.00 C ATOM 1189 CD2 TYR B 60 -3.490 -1.571 1.421 1.00 0.00 C ATOM 1190 CE1 TYR B 60 -4.201 -3.325 -0.658 1.00 0.00 C ATOM 1191 CE2 TYR B 60 -4.078 -2.815 1.717 1.00 0.00 C ATOM 1192 CZ TYR B 60 -4.417 -3.698 0.679 1.00 0.00 C ATOM 1193 OH TYR B 60 -4.963 -4.911 0.977 1.00 0.00 O ATOM 0 H TYR B 60 -0.755 1.781 0.160 1.00 0.00 H new ATOM 0 HA TYR B 60 -0.690 -1.014 0.023 1.00 0.00 H new ATOM 0 HB2 TYR B 60 -2.589 0.765 0.627 1.00 0.00 H new ATOM 0 HB3 TYR B 60 -3.003 0.594 -1.068 1.00 0.00 H new ATOM 0 HD1 TYR B 60 -3.493 -1.777 -1.987 1.00 0.00 H new ATOM 0 HD2 TYR B 60 -3.212 -0.902 2.222 1.00 0.00 H new ATOM 0 HE1 TYR B 60 -4.467 -4.002 -1.457 1.00 0.00 H new ATOM 0 HE2 TYR B 60 -4.269 -3.091 2.744 1.00 0.00 H new ATOM 0 HH TYR B 60 -5.041 -5.005 1.949 1.00 0.00 H new ATOM 1203 N ILE B 61 -0.863 0.495 -2.906 1.00 0.00 N ATOM 1204 CA ILE B 61 -0.648 0.372 -4.361 1.00 0.00 C ATOM 1205 C ILE B 61 0.683 -0.338 -4.639 1.00 0.00 C ATOM 1206 O ILE B 61 0.739 -1.312 -5.394 1.00 0.00 O ATOM 1207 CB ILE B 61 -0.719 1.779 -5.007 1.00 0.00 C ATOM 1208 CG1 ILE B 61 -2.175 2.292 -4.973 1.00 0.00 C ATOM 1209 CG2 ILE B 61 -0.189 1.831 -6.456 1.00 0.00 C ATOM 1210 CD1 ILE B 61 -2.290 3.797 -5.193 1.00 0.00 C ATOM 0 H ILE B 61 -0.987 1.462 -2.606 1.00 0.00 H new ATOM 0 HA ILE B 61 -1.431 -0.240 -4.810 1.00 0.00 H new ATOM 0 HB ILE B 61 -0.064 2.420 -4.416 1.00 0.00 H new ATOM 0 HG12 ILE B 61 -2.753 1.775 -5.739 1.00 0.00 H new ATOM 0 HG13 ILE B 61 -2.620 2.037 -4.011 1.00 0.00 H new ATOM 0 HG21 ILE B 61 -0.272 2.849 -6.838 1.00 0.00 H new ATOM 0 HG22 ILE B 61 0.856 1.522 -6.472 1.00 0.00 H new ATOM 0 HG23 ILE B 61 -0.776 1.159 -7.082 1.00 0.00 H new ATOM 0 HD11 ILE B 61 -3.339 4.091 -5.157 1.00 0.00 H new ATOM 0 HD12 ILE B 61 -1.739 4.322 -4.413 1.00 0.00 H new ATOM 0 HD13 ILE B 61 -1.874 4.055 -6.167 1.00 0.00 H new ATOM 1222 N LYS B 62 1.745 0.095 -3.956 1.00 0.00 N ATOM 1223 CA LYS B 62 3.064 -0.525 -4.056 1.00 0.00 C ATOM 1224 C LYS B 62 3.074 -1.962 -3.499 1.00 0.00 C ATOM 1225 O LYS B 62 3.524 -2.893 -4.163 1.00 0.00 O ATOM 1226 CB LYS B 62 4.080 0.378 -3.337 1.00 0.00 C ATOM 1227 CG LYS B 62 5.518 0.140 -3.839 1.00 0.00 C ATOM 1228 CD LYS B 62 6.488 1.276 -3.462 1.00 0.00 C ATOM 1229 CE LYS B 62 6.689 1.493 -1.954 1.00 0.00 C ATOM 1230 NZ LYS B 62 7.511 0.436 -1.324 1.00 0.00 N ATOM 0 H LYS B 62 1.712 0.889 -3.316 1.00 0.00 H new ATOM 0 HA LYS B 62 3.340 -0.618 -5.106 1.00 0.00 H new ATOM 0 HB2 LYS B 62 3.810 1.423 -3.491 1.00 0.00 H new ATOM 0 HB3 LYS B 62 4.035 0.192 -2.264 1.00 0.00 H new ATOM 0 HG2 LYS B 62 5.889 -0.798 -3.426 1.00 0.00 H new ATOM 0 HG3 LYS B 62 5.504 0.028 -4.923 1.00 0.00 H new ATOM 0 HD2 LYS B 62 7.458 1.069 -3.915 1.00 0.00 H new ATOM 0 HD3 LYS B 62 6.122 2.204 -3.901 1.00 0.00 H new ATOM 0 HE2 LYS B 62 7.164 2.461 -1.792 1.00 0.00 H new ATOM 0 HE3 LYS B 62 5.716 1.529 -1.464 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 7.613 0.635 -0.308 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 7.048 -0.486 -1.452 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 8.451 0.416 -1.769 1.00 0.00 H new ATOM 1244 N ARG B 63 2.503 -2.178 -2.312 1.00 0.00 N ATOM 1245 CA ARG B 63 2.344 -3.502 -1.698 1.00 0.00 C ATOM 1246 C ARG B 63 1.588 -4.492 -2.599 1.00 0.00 C ATOM 1247 O ARG B 63 1.976 -5.652 -2.673 1.00 0.00 O ATOM 1248 CB ARG B 63 1.628 -3.382 -0.340 1.00 0.00 C ATOM 1249 CG ARG B 63 2.574 -3.132 0.846 1.00 0.00 C ATOM 1250 CD ARG B 63 3.388 -4.388 1.193 1.00 0.00 C ATOM 1251 NE ARG B 63 4.133 -4.231 2.455 1.00 0.00 N ATOM 1252 CZ ARG B 63 3.706 -4.507 3.678 1.00 0.00 C ATOM 1253 NH1 ARG B 63 2.485 -4.905 3.924 1.00 0.00 N ATOM 1254 NH2 ARG B 63 4.511 -4.390 4.697 1.00 0.00 N ATOM 0 H ARG B 63 2.130 -1.423 -1.737 1.00 0.00 H new ATOM 0 HA ARG B 63 3.348 -3.900 -1.553 1.00 0.00 H new ATOM 0 HB2 ARG B 63 0.905 -2.568 -0.393 1.00 0.00 H new ATOM 0 HB3 ARG B 63 1.065 -4.297 -0.156 1.00 0.00 H new ATOM 0 HG2 ARG B 63 3.252 -2.313 0.605 1.00 0.00 H new ATOM 0 HG3 ARG B 63 1.995 -2.821 1.715 1.00 0.00 H new ATOM 0 HD2 ARG B 63 2.718 -5.244 1.271 1.00 0.00 H new ATOM 0 HD3 ARG B 63 4.086 -4.603 0.384 1.00 0.00 H new ATOM 0 HE ARG B 63 5.084 -3.869 2.378 1.00 0.00 H new ATOM 0 HH11 ARG B 63 1.820 -5.014 3.158 1.00 0.00 H new ATOM 0 HH12 ARG B 63 2.198 -5.107 4.882 1.00 0.00 H new ATOM 0 HH21 ARG B 63 5.474 -4.085 4.554 1.00 0.00 H new ATOM 0 HH22 ARG B 63 4.178 -4.604 5.637 1.00 0.00 H new ATOM 1268 N TYR B 64 0.559 -4.058 -3.324 1.00 0.00 N ATOM 1269 CA TYR B 64 -0.266 -4.931 -4.174 1.00 0.00 C ATOM 1270 C TYR B 64 0.508 -5.459 -5.389 1.00 0.00 C ATOM 1271 O TYR B 64 0.455 -6.639 -5.736 1.00 0.00 O ATOM 1272 CB TYR B 64 -1.498 -4.149 -4.644 1.00 0.00 C ATOM 1273 CG TYR B 64 -2.724 -4.938 -5.071 1.00 0.00 C ATOM 1274 CD1 TYR B 64 -2.811 -6.342 -4.954 1.00 0.00 C ATOM 1275 CD2 TYR B 64 -3.817 -4.219 -5.593 1.00 0.00 C ATOM 1276 CE1 TYR B 64 -3.986 -7.010 -5.337 1.00 0.00 C ATOM 1277 CE2 TYR B 64 -4.985 -4.893 -5.988 1.00 0.00 C ATOM 1278 CZ TYR B 64 -5.073 -6.285 -5.846 1.00 0.00 C ATOM 1279 OH TYR B 64 -6.212 -6.930 -6.207 1.00 0.00 O ATOM 0 H TYR B 64 0.267 -3.081 -3.342 1.00 0.00 H new ATOM 0 HA TYR B 64 -0.564 -5.796 -3.581 1.00 0.00 H new ATOM 0 HB2 TYR B 64 -1.796 -3.480 -3.837 1.00 0.00 H new ATOM 0 HB3 TYR B 64 -1.196 -3.522 -5.483 1.00 0.00 H new ATOM 0 HD1 TYR B 64 -1.973 -6.904 -4.569 1.00 0.00 H new ATOM 0 HD2 TYR B 64 -3.757 -3.145 -5.690 1.00 0.00 H new ATOM 0 HE1 TYR B 64 -4.052 -8.084 -5.239 1.00 0.00 H new ATOM 0 HE2 TYR B 64 -5.815 -4.339 -6.401 1.00 0.00 H new ATOM 0 HH TYR B 64 -6.583 -7.398 -5.430 1.00 0.00 H new ATOM 1289 N ILE B 65 1.309 -4.570 -5.970 1.00 0.00 N ATOM 1290 CA ILE B 65 2.291 -4.884 -7.015 1.00 0.00 C ATOM 1291 C ILE B 65 3.326 -5.863 -6.469 1.00 0.00 C ATOM 1292 O ILE B 65 3.552 -6.907 -7.068 1.00 0.00 O ATOM 1293 CB ILE B 65 2.984 -3.608 -7.548 1.00 0.00 C ATOM 1294 CG1 ILE B 65 2.043 -2.744 -8.404 1.00 0.00 C ATOM 1295 CG2 ILE B 65 4.276 -3.911 -8.334 1.00 0.00 C ATOM 1296 CD1 ILE B 65 1.782 -3.282 -9.817 1.00 0.00 C ATOM 0 H ILE B 65 1.296 -3.581 -5.722 1.00 0.00 H new ATOM 0 HA ILE B 65 1.763 -5.342 -7.851 1.00 0.00 H new ATOM 0 HB ILE B 65 3.258 -3.041 -6.658 1.00 0.00 H new ATOM 0 HG12 ILE B 65 1.089 -2.647 -7.885 1.00 0.00 H new ATOM 0 HG13 ILE B 65 2.465 -1.742 -8.484 1.00 0.00 H new ATOM 0 HG21 ILE B 65 4.717 -2.977 -8.683 1.00 0.00 H new ATOM 0 HG22 ILE B 65 4.984 -4.427 -7.685 1.00 0.00 H new ATOM 0 HG23 ILE B 65 4.041 -4.543 -9.190 1.00 0.00 H new ATOM 0 HD11 ILE B 65 1.108 -2.607 -10.345 1.00 0.00 H new ATOM 0 HD12 ILE B 65 2.725 -3.351 -10.360 1.00 0.00 H new ATOM 0 HD13 ILE B 65 1.327 -4.271 -9.752 1.00 0.00 H new ATOM 1308 N LEU B 66 3.909 -5.568 -5.305 1.00 0.00 N ATOM 1309 CA LEU B 66 4.992 -6.366 -4.719 1.00 0.00 C ATOM 1310 C LEU B 66 4.486 -7.759 -4.311 1.00 0.00 C ATOM 1311 O LEU B 66 5.184 -8.757 -4.483 1.00 0.00 O ATOM 1312 CB LEU B 66 5.580 -5.597 -3.523 1.00 0.00 C ATOM 1313 CG LEU B 66 6.729 -4.614 -3.842 1.00 0.00 C ATOM 1314 CD1 LEU B 66 6.654 -3.869 -5.177 1.00 0.00 C ATOM 1315 CD2 LEU B 66 6.792 -3.569 -2.730 1.00 0.00 C ATOM 0 H LEU B 66 3.642 -4.764 -4.738 1.00 0.00 H new ATOM 0 HA LEU B 66 5.778 -6.524 -5.457 1.00 0.00 H new ATOM 0 HB2 LEU B 66 4.775 -5.039 -3.045 1.00 0.00 H new ATOM 0 HB3 LEU B 66 5.942 -6.322 -2.794 1.00 0.00 H new ATOM 0 HG LEU B 66 7.615 -5.245 -3.916 1.00 0.00 H new ATOM 0 HD11 LEU B 66 7.519 -3.213 -5.277 1.00 0.00 H new ATOM 0 HD12 LEU B 66 6.648 -4.589 -5.996 1.00 0.00 H new ATOM 0 HD13 LEU B 66 5.741 -3.274 -5.211 1.00 0.00 H new ATOM 0 HD21 LEU B 66 7.598 -2.865 -2.937 1.00 0.00 H new ATOM 0 HD22 LEU B 66 5.845 -3.032 -2.681 1.00 0.00 H new ATOM 0 HD23 LEU B 66 6.978 -4.063 -1.776 1.00 0.00 H new ATOM 1327 N LYS B 67 3.236 -7.834 -3.858 1.00 0.00 N ATOM 1328 CA LYS B 67 2.526 -9.073 -3.570 1.00 0.00 C ATOM 1329 C LYS B 67 2.316 -9.913 -4.842 1.00 0.00 C ATOM 1330 O LYS B 67 2.621 -11.107 -4.862 1.00 0.00 O ATOM 1331 CB LYS B 67 1.197 -8.711 -2.892 1.00 0.00 C ATOM 1332 CG LYS B 67 0.445 -9.944 -2.370 1.00 0.00 C ATOM 1333 CD LYS B 67 -0.812 -9.530 -1.589 1.00 0.00 C ATOM 1334 CE LYS B 67 -1.543 -10.771 -1.057 1.00 0.00 C ATOM 1335 NZ LYS B 67 -2.751 -10.415 -0.282 1.00 0.00 N ATOM 0 H LYS B 67 2.673 -7.003 -3.676 1.00 0.00 H new ATOM 0 HA LYS B 67 3.119 -9.695 -2.899 1.00 0.00 H new ATOM 0 HB2 LYS B 67 1.390 -8.030 -2.063 1.00 0.00 H new ATOM 0 HB3 LYS B 67 0.565 -8.178 -3.602 1.00 0.00 H new ATOM 0 HG2 LYS B 67 0.164 -10.584 -3.206 1.00 0.00 H new ATOM 0 HG3 LYS B 67 1.101 -10.530 -1.726 1.00 0.00 H new ATOM 0 HD2 LYS B 67 -0.535 -8.880 -0.759 1.00 0.00 H new ATOM 0 HD3 LYS B 67 -1.477 -8.957 -2.235 1.00 0.00 H new ATOM 0 HE2 LYS B 67 -1.825 -11.411 -1.893 1.00 0.00 H new ATOM 0 HE3 LYS B 67 -0.866 -11.348 -0.427 1.00 0.00 H new ATOM 0 HZ1 LYS B 67 -3.213 -11.282 0.058 1.00 0.00 H new ATOM 0 HZ2 LYS B 67 -2.481 -9.825 0.531 1.00 0.00 H new ATOM 0 HZ3 LYS B 67 -3.410 -9.887 -0.889 1.00 0.00 H new ATOM 1349 N ALA B 68 1.865 -9.279 -5.928 1.00 0.00 N ATOM 1350 CA ALA B 68 1.686 -9.932 -7.230 1.00 0.00 C ATOM 1351 C ALA B 68 3.018 -10.290 -7.936 1.00 0.00 C ATOM 1352 O ALA B 68 3.076 -11.232 -8.730 1.00 0.00 O ATOM 1353 CB ALA B 68 0.801 -9.030 -8.095 1.00 0.00 C ATOM 0 H ALA B 68 1.612 -8.291 -5.930 1.00 0.00 H new ATOM 0 HA ALA B 68 1.202 -10.895 -7.070 1.00 0.00 H new ATOM 0 HB1 ALA B 68 0.652 -9.493 -9.070 1.00 0.00 H new ATOM 0 HB2 ALA B 68 -0.164 -8.892 -7.608 1.00 0.00 H new ATOM 0 HB3 ALA B 68 1.284 -8.061 -8.224 1.00 0.00 H new ATOM 1359 N LEU B 69 4.112 -9.580 -7.637 1.00 0.00 N ATOM 1360 CA LEU B 69 5.439 -9.780 -8.234 1.00 0.00 C ATOM 1361 C LEU B 69 6.136 -11.059 -7.735 1.00 0.00 C ATOM 1362 O LEU B 69 7.076 -11.538 -8.365 1.00 0.00 O ATOM 1363 CB LEU B 69 6.321 -8.540 -7.990 1.00 0.00 C ATOM 1364 CG LEU B 69 7.249 -8.174 -9.161 1.00 0.00 C ATOM 1365 CD1 LEU B 69 6.471 -7.628 -10.363 1.00 0.00 C ATOM 1366 CD2 LEU B 69 8.208 -7.074 -8.713 1.00 0.00 C ATOM 0 H LEU B 69 4.098 -8.826 -6.951 1.00 0.00 H new ATOM 0 HA LEU B 69 5.292 -9.913 -9.306 1.00 0.00 H new ATOM 0 HB2 LEU B 69 5.676 -7.688 -7.775 1.00 0.00 H new ATOM 0 HB3 LEU B 69 6.929 -8.712 -7.102 1.00 0.00 H new ATOM 0 HG LEU B 69 7.773 -9.084 -9.454 1.00 0.00 H new ATOM 0 HD11 LEU B 69 7.167 -7.383 -11.166 1.00 0.00 H new ATOM 0 HD12 LEU B 69 5.765 -8.381 -10.712 1.00 0.00 H new ATOM 0 HD13 LEU B 69 5.927 -6.731 -10.067 1.00 0.00 H new ATOM 0 HD21 LEU B 69 8.869 -6.809 -9.538 1.00 0.00 H new ATOM 0 HD22 LEU B 69 7.638 -6.196 -8.409 1.00 0.00 H new ATOM 0 HD23 LEU B 69 8.803 -7.430 -7.872 1.00 0.00 H new ATOM 1378 N ARG B 70 5.638 -11.662 -6.655 1.00 0.00 N ATOM 1379 CA ARG B 70 6.128 -12.935 -6.109 1.00 0.00 C ATOM 1380 C ARG B 70 6.034 -14.119 -7.105 1.00 0.00 C ATOM 1381 O ARG B 70 6.769 -15.099 -6.976 1.00 0.00 O ATOM 1382 CB ARG B 70 5.404 -13.257 -4.788 1.00 0.00 C ATOM 1383 CG ARG B 70 5.768 -12.247 -3.684 1.00 0.00 C ATOM 1384 CD ARG B 70 4.970 -12.437 -2.388 1.00 0.00 C ATOM 1385 NE ARG B 70 5.342 -13.674 -1.675 1.00 0.00 N ATOM 1386 CZ ARG B 70 5.003 -13.997 -0.437 1.00 0.00 C ATOM 1387 NH1 ARG B 70 4.266 -13.222 0.313 1.00 0.00 N ATOM 1388 NH2 ARG B 70 5.408 -15.123 0.083 1.00 0.00 N ATOM 0 H ARG B 70 4.863 -11.271 -6.120 1.00 0.00 H new ATOM 0 HA ARG B 70 7.193 -12.804 -5.916 1.00 0.00 H new ATOM 0 HB2 ARG B 70 4.326 -13.247 -4.951 1.00 0.00 H new ATOM 0 HB3 ARG B 70 5.668 -14.263 -4.463 1.00 0.00 H new ATOM 0 HG2 ARG B 70 6.832 -12.333 -3.461 1.00 0.00 H new ATOM 0 HG3 ARG B 70 5.601 -11.237 -4.058 1.00 0.00 H new ATOM 0 HD2 ARG B 70 5.135 -11.580 -1.734 1.00 0.00 H new ATOM 0 HD3 ARG B 70 3.905 -12.461 -2.620 1.00 0.00 H new ATOM 0 HE ARG B 70 5.916 -14.345 -2.185 1.00 0.00 H new ATOM 0 HH11 ARG B 70 3.929 -12.331 -0.051 1.00 0.00 H new ATOM 0 HH12 ARG B 70 4.027 -13.508 1.262 1.00 0.00 H new ATOM 0 HH21 ARG B 70 5.988 -15.758 -0.465 1.00 0.00 H new ATOM 0 HH22 ARG B 70 5.144 -15.368 1.037 1.00 0.00 H new ATOM 1402 N LYS B 71 5.172 -14.013 -8.125 1.00 0.00 N ATOM 1403 CA LYS B 71 5.091 -14.941 -9.272 1.00 0.00 C ATOM 1404 C LYS B 71 5.989 -14.556 -10.477 1.00 0.00 C ATOM 1405 O LYS B 71 6.130 -15.337 -11.421 1.00 0.00 O ATOM 1406 CB LYS B 71 3.620 -15.066 -9.705 1.00 0.00 C ATOM 1407 CG LYS B 71 2.870 -16.214 -9.010 1.00 0.00 C ATOM 1408 CD LYS B 71 3.259 -17.590 -9.582 1.00 0.00 C ATOM 1409 CE LYS B 71 2.444 -18.707 -8.917 1.00 0.00 C ATOM 1410 NZ LYS B 71 2.771 -20.036 -9.481 1.00 0.00 N ATOM 0 H LYS B 71 4.489 -13.258 -8.181 1.00 0.00 H new ATOM 0 HA LYS B 71 5.480 -15.901 -8.932 1.00 0.00 H new ATOM 0 HB2 LYS B 71 3.107 -14.128 -9.494 1.00 0.00 H new ATOM 0 HB3 LYS B 71 3.579 -15.217 -10.784 1.00 0.00 H new ATOM 0 HG2 LYS B 71 3.085 -16.192 -7.942 1.00 0.00 H new ATOM 0 HG3 LYS B 71 1.796 -16.065 -9.123 1.00 0.00 H new ATOM 0 HD2 LYS B 71 3.090 -17.602 -10.659 1.00 0.00 H new ATOM 0 HD3 LYS B 71 4.323 -17.767 -9.424 1.00 0.00 H new ATOM 0 HE2 LYS B 71 2.638 -18.709 -7.844 1.00 0.00 H new ATOM 0 HE3 LYS B 71 1.380 -18.508 -9.048 1.00 0.00 H new ATOM 0 HZ1 LYS B 71 2.200 -20.764 -9.006 1.00 0.00 H new ATOM 0 HZ2 LYS B 71 2.562 -20.042 -10.500 1.00 0.00 H new ATOM 0 HZ3 LYS B 71 3.781 -20.237 -9.334 1.00 0.00 H new ATOM 1424 N ILE B 72 6.595 -13.364 -10.453 1.00 0.00 N ATOM 1425 CA ILE B 72 7.300 -12.707 -11.570 1.00 0.00 C ATOM 1426 C ILE B 72 8.825 -12.624 -11.327 1.00 0.00 C ATOM 1427 O ILE B 72 9.609 -12.697 -12.280 1.00 0.00 O ATOM 1428 CB ILE B 72 6.668 -11.309 -11.768 1.00 0.00 C ATOM 1429 CG1 ILE B 72 5.137 -11.387 -11.961 1.00 0.00 C ATOM 1430 CG2 ILE B 72 7.283 -10.493 -12.918 1.00 0.00 C ATOM 1431 CD1 ILE B 72 4.644 -12.315 -13.084 1.00 0.00 C ATOM 0 H ILE B 72 6.610 -12.795 -9.606 1.00 0.00 H new ATOM 0 HA ILE B 72 7.185 -13.298 -12.478 1.00 0.00 H new ATOM 0 HB ILE B 72 6.895 -10.782 -10.842 1.00 0.00 H new ATOM 0 HG12 ILE B 72 4.689 -11.715 -11.023 1.00 0.00 H new ATOM 0 HG13 ILE B 72 4.764 -10.382 -12.158 1.00 0.00 H new ATOM 0 HG21 ILE B 72 6.782 -9.527 -12.987 1.00 0.00 H new ATOM 0 HG22 ILE B 72 8.345 -10.338 -12.727 1.00 0.00 H new ATOM 0 HG23 ILE B 72 7.158 -11.035 -13.856 1.00 0.00 H new ATOM 0 HD11 ILE B 72 3.555 -12.289 -13.126 1.00 0.00 H new ATOM 0 HD12 ILE B 72 5.052 -11.980 -14.038 1.00 0.00 H new ATOM 0 HD13 ILE B 72 4.975 -13.334 -12.885 1.00 0.00 H new ATOM 1443 N GLU B 73 9.244 -12.527 -10.056 1.00 0.00 N ATOM 1444 CA GLU B 73 10.624 -12.714 -9.562 1.00 0.00 C ATOM 1445 C GLU B 73 11.174 -14.116 -9.858 1.00 0.00 C ATOM 1446 O GLU B 73 12.330 -14.200 -10.322 1.00 0.00 O ATOM 1447 CB GLU B 73 10.686 -12.451 -8.049 1.00 0.00 C ATOM 1448 CG GLU B 73 10.509 -10.973 -7.699 1.00 0.00 C ATOM 1449 CD GLU B 73 10.581 -10.781 -6.191 1.00 0.00 C ATOM 1450 OE1 GLU B 73 11.702 -10.563 -5.675 1.00 0.00 O ATOM 1451 OE2 GLU B 73 9.522 -10.840 -5.528 1.00 0.00 O ATOM 0 H GLU B 73 8.596 -12.304 -9.301 1.00 0.00 H new ATOM 0 HA GLU B 73 11.248 -11.996 -10.095 1.00 0.00 H new ATOM 0 HB2 GLU B 73 9.911 -13.033 -7.551 1.00 0.00 H new ATOM 0 HB3 GLU B 73 11.644 -12.799 -7.663 1.00 0.00 H new ATOM 0 HG2 GLU B 73 11.283 -10.381 -8.186 1.00 0.00 H new ATOM 0 HG3 GLU B 73 9.550 -10.615 -8.074 1.00 0.00 H new TER 1458 GLU B 73