USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 498 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 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= -0.218 USER MOD Single : A 48 SER OG : rot 180:sc= 0.0457 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -2.48 K(o=-2.5,f=-3.7) USER MOD Single : A 52 SER OG : rot 52:sc= 0.318 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc=-0.000925 X(o=-0.00093,f=0) USER MOD Single : A 60 ASN : amide:sc= -0.0733 K(o=-0.073,f=-1.2) USER MOD Single : A 61 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.0863) USER MOD Single : A 68 ASN : amide:sc= -4.02 K(o=-4,f=-5.8!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl -155:sc= -0.732 (180deg=-1.68!) USER MOD Single : B 78 SER OG : rot 180:sc= 0 USER MOD Single : B 82 SER OG : rot 180:sc= 0 USER MOD Single : B 83 THR OG1 : rot -73:sc= -1.12 USER MOD Single : B 84 LYS NZ :NH3+ 167:sc= -0.127 (180deg=-0.49) USER MOD ----------------------------------------------------------------- ATOM 50 N ARG A 19 -8.534 -5.446 2.787 1.00 0.00 N ATOM 51 CA ARG A 19 -7.556 -5.424 1.707 1.00 0.00 C ATOM 52 C ARG A 19 -7.593 -4.083 0.983 1.00 0.00 C ATOM 53 O ARG A 19 -7.848 -4.017 -0.219 1.00 0.00 O ATOM 54 CB ARG A 19 -7.822 -6.565 0.721 1.00 0.00 C ATOM 55 CG ARG A 19 -9.288 -6.726 0.356 1.00 0.00 C ATOM 56 CD ARG A 19 -9.591 -8.137 -0.118 1.00 0.00 C ATOM 57 NE ARG A 19 -10.180 -8.150 -1.455 1.00 0.00 N ATOM 58 CZ ARG A 19 -11.265 -8.848 -1.778 1.00 0.00 C ATOM 59 NH1 ARG A 19 -11.881 -9.586 -0.863 1.00 0.00 N ATOM 60 NH2 ARG A 19 -11.737 -8.806 -3.016 1.00 0.00 N ATOM 0 HA ARG A 19 -6.564 -5.560 2.138 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.247 -6.389 -0.188 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.459 -7.498 1.152 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.908 -6.491 1.221 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.550 -6.014 -0.427 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -8.672 -8.724 -0.121 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.274 -8.617 0.584 1.00 0.00 H new ATOM 0 HE ARG A 19 -9.733 -7.592 -2.182 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -11.523 -9.619 0.091 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -12.713 -10.120 -1.114 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -11.268 -8.238 -3.722 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -12.569 -9.342 -3.263 1.00 0.00 H new ATOM 74 N TRP A 20 -7.351 -3.017 1.737 1.00 0.00 N ATOM 75 CA TRP A 20 -7.359 -1.664 1.202 1.00 0.00 C ATOM 76 C TRP A 20 -6.203 -0.866 1.779 1.00 0.00 C ATOM 77 O TRP A 20 -5.679 -1.203 2.838 1.00 0.00 O ATOM 78 CB TRP A 20 -8.695 -0.991 1.515 1.00 0.00 C ATOM 79 CG TRP A 20 -9.827 -1.655 0.809 1.00 0.00 C ATOM 80 CD1 TRP A 20 -10.494 -2.774 1.210 1.00 0.00 C ATOM 81 CD2 TRP A 20 -10.405 -1.259 -0.436 1.00 0.00 C ATOM 82 NE1 TRP A 20 -11.453 -3.104 0.282 1.00 0.00 N ATOM 83 CE2 TRP A 20 -11.418 -2.185 -0.737 1.00 0.00 C ATOM 84 CE3 TRP A 20 -10.163 -0.209 -1.326 1.00 0.00 C ATOM 85 CZ2 TRP A 20 -12.184 -2.093 -1.895 1.00 0.00 C ATOM 86 CZ3 TRP A 20 -10.927 -0.119 -2.473 1.00 0.00 C ATOM 87 CH2 TRP A 20 -11.927 -1.057 -2.750 1.00 0.00 C ATOM 0 H TRP A 20 -7.144 -3.068 2.735 1.00 0.00 H new ATOM 0 HA TRP A 20 -7.237 -1.705 0.120 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -8.872 -1.017 2.590 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -8.650 0.059 1.224 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -10.298 -3.320 2.121 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -12.087 -3.901 0.341 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -9.392 0.519 -1.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -12.956 -2.816 -2.112 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -10.749 0.689 -3.167 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -12.507 -0.961 -3.656 1.00 0.00 H new ATOM 98 N ALA A 21 -5.787 0.179 1.081 1.00 0.00 N ATOM 99 CA ALA A 21 -4.692 0.996 1.549 1.00 0.00 C ATOM 100 C ALA A 21 -5.052 2.468 1.469 1.00 0.00 C ATOM 101 O ALA A 21 -5.028 3.066 0.394 1.00 0.00 O ATOM 102 CB ALA A 21 -3.443 0.716 0.729 1.00 0.00 C ATOM 0 H ALA A 21 -6.192 0.476 0.193 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.494 0.746 2.591 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.624 1.337 1.090 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.172 -0.335 0.827 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.637 0.945 -0.319 1.00 0.00 H new ATOM 108 N ARG A 22 -5.354 3.061 2.615 1.00 0.00 N ATOM 109 CA ARG A 22 -5.679 4.473 2.659 1.00 0.00 C ATOM 110 C ARG A 22 -4.516 5.216 3.281 1.00 0.00 C ATOM 111 O ARG A 22 -4.242 5.089 4.477 1.00 0.00 O ATOM 112 CB ARG A 22 -6.974 4.722 3.439 1.00 0.00 C ATOM 113 CG ARG A 22 -7.079 6.120 4.032 1.00 0.00 C ATOM 114 CD ARG A 22 -8.013 6.147 5.232 1.00 0.00 C ATOM 115 NE ARG A 22 -7.857 7.366 6.023 1.00 0.00 N ATOM 116 CZ ARG A 22 -8.444 8.521 5.725 1.00 0.00 C ATOM 117 NH1 ARG A 22 -9.223 8.618 4.656 1.00 0.00 N ATOM 118 NH2 ARG A 22 -8.252 9.583 6.498 1.00 0.00 N ATOM 0 H ARG A 22 -5.380 2.588 3.518 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.847 4.838 1.646 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.823 4.554 2.777 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.048 3.990 4.244 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.089 6.465 4.332 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.441 6.813 3.272 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -9.045 6.067 4.890 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -7.818 5.279 5.862 1.00 0.00 H new ATOM 0 HE ARG A 22 -7.263 7.328 6.852 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -9.374 7.805 4.059 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -9.672 9.506 4.431 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -7.654 9.513 7.321 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -8.703 10.469 6.269 1.00 0.00 H new ATOM 132 N ALA A 23 -3.817 5.965 2.448 1.00 0.00 N ATOM 133 CA ALA A 23 -2.653 6.709 2.890 1.00 0.00 C ATOM 134 C ALA A 23 -3.033 7.960 3.663 1.00 0.00 C ATOM 135 O ALA A 23 -3.658 8.870 3.120 1.00 0.00 O ATOM 136 CB ALA A 23 -1.785 7.075 1.697 1.00 0.00 C ATOM 0 H ALA A 23 -4.037 6.074 1.458 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.091 6.066 3.567 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.914 7.633 2.039 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.458 6.166 1.192 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.360 7.689 1.003 1.00 0.00 H new ATOM 142 N LEU A 24 -2.615 8.008 4.924 1.00 0.00 N ATOM 143 CA LEU A 24 -2.868 9.163 5.771 1.00 0.00 C ATOM 144 C LEU A 24 -1.765 10.183 5.524 1.00 0.00 C ATOM 145 O LEU A 24 -1.865 11.351 5.903 1.00 0.00 O ATOM 146 CB LEU A 24 -2.899 8.754 7.246 1.00 0.00 C ATOM 147 CG LEU A 24 -3.401 7.333 7.515 1.00 0.00 C ATOM 148 CD1 LEU A 24 -2.872 6.823 8.848 1.00 0.00 C ATOM 149 CD2 LEU A 24 -4.921 7.292 7.493 1.00 0.00 C ATOM 0 H LEU A 24 -2.098 7.257 5.381 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.839 9.596 5.529 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.893 8.851 7.655 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.533 9.455 7.788 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.028 6.681 6.725 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.239 5.812 9.022 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.782 6.815 8.828 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.215 7.477 9.650 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.260 6.274 7.686 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.314 7.958 8.262 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.280 7.615 6.516 1.00 0.00 H new ATOM 161 N TYR A 25 -0.717 9.703 4.861 1.00 0.00 N ATOM 162 CA TYR A 25 0.442 10.509 4.504 1.00 0.00 C ATOM 163 C TYR A 25 0.890 10.134 3.094 1.00 0.00 C ATOM 164 O TYR A 25 0.298 9.254 2.469 1.00 0.00 O ATOM 165 CB TYR A 25 1.591 10.291 5.496 1.00 0.00 C ATOM 166 CG TYR A 25 1.152 9.759 6.844 1.00 0.00 C ATOM 167 CD1 TYR A 25 0.658 10.613 7.821 1.00 0.00 C ATOM 168 CD2 TYR A 25 1.237 8.404 7.138 1.00 0.00 C ATOM 169 CE1 TYR A 25 0.259 10.132 9.053 1.00 0.00 C ATOM 170 CE2 TYR A 25 0.838 7.915 8.367 1.00 0.00 C ATOM 171 CZ TYR A 25 0.351 8.783 9.322 1.00 0.00 C ATOM 172 OH TYR A 25 -0.048 8.298 10.547 1.00 0.00 O ATOM 0 H TYR A 25 -0.650 8.733 4.554 1.00 0.00 H new ATOM 0 HA TYR A 25 0.166 11.563 4.540 1.00 0.00 H new ATOM 0 HB2 TYR A 25 2.307 9.595 5.059 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.114 11.236 5.643 1.00 0.00 H new ATOM 0 HD1 TYR A 25 0.584 11.671 7.614 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.621 7.722 6.394 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -0.123 10.810 9.802 1.00 0.00 H new ATOM 0 HE2 TYR A 25 0.907 6.858 8.579 1.00 0.00 H new ATOM 0 HH TYR A 25 0.081 7.327 10.572 1.00 0.00 H new ATOM 182 N ASP A 26 1.923 10.802 2.591 1.00 0.00 N ATOM 183 CA ASP A 26 2.432 10.524 1.247 1.00 0.00 C ATOM 184 C ASP A 26 2.770 9.040 1.071 1.00 0.00 C ATOM 185 O ASP A 26 2.488 8.216 1.940 1.00 0.00 O ATOM 186 CB ASP A 26 3.672 11.375 0.964 1.00 0.00 C ATOM 187 CG ASP A 26 3.706 11.896 -0.461 1.00 0.00 C ATOM 188 OD1 ASP A 26 2.975 11.347 -1.312 1.00 0.00 O ATOM 189 OD2 ASP A 26 4.466 12.851 -0.725 1.00 0.00 O ATOM 0 H ASP A 26 2.424 11.537 3.089 1.00 0.00 H new ATOM 0 HA ASP A 26 1.646 10.780 0.536 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.697 12.217 1.656 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.567 10.782 1.152 1.00 0.00 H new ATOM 194 N PHE A 27 3.361 8.704 -0.072 1.00 0.00 N ATOM 195 CA PHE A 27 3.715 7.313 -0.377 1.00 0.00 C ATOM 196 C PHE A 27 5.194 7.017 -0.125 1.00 0.00 C ATOM 197 O PHE A 27 6.055 7.880 -0.295 1.00 0.00 O ATOM 198 CB PHE A 27 3.397 6.998 -1.834 1.00 0.00 C ATOM 199 CG PHE A 27 4.360 7.623 -2.803 1.00 0.00 C ATOM 200 CD1 PHE A 27 4.167 8.914 -3.262 1.00 0.00 C ATOM 201 CD2 PHE A 27 5.460 6.912 -3.253 1.00 0.00 C ATOM 202 CE1 PHE A 27 5.053 9.488 -4.153 1.00 0.00 C ATOM 203 CE2 PHE A 27 6.350 7.480 -4.144 1.00 0.00 C ATOM 204 CZ PHE A 27 6.147 8.769 -4.595 1.00 0.00 C ATOM 0 H PHE A 27 3.606 9.371 -0.804 1.00 0.00 H new ATOM 0 HA PHE A 27 3.123 6.686 0.290 1.00 0.00 H new ATOM 0 HB2 PHE A 27 3.402 5.917 -1.974 1.00 0.00 H new ATOM 0 HB3 PHE A 27 2.389 7.344 -2.061 1.00 0.00 H new ATOM 0 HD1 PHE A 27 3.313 9.480 -2.919 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.624 5.903 -2.904 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.891 10.497 -4.503 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.204 6.916 -4.488 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.842 9.214 -5.292 1.00 0.00 H new ATOM 214 N GLU A 28 5.468 5.775 0.275 1.00 0.00 N ATOM 215 CA GLU A 28 6.833 5.329 0.548 1.00 0.00 C ATOM 216 C GLU A 28 7.376 4.476 -0.591 1.00 0.00 C ATOM 217 O GLU A 28 8.411 3.825 -0.446 1.00 0.00 O ATOM 218 CB GLU A 28 6.874 4.509 1.834 1.00 0.00 C ATOM 219 CG GLU A 28 6.310 5.239 3.037 1.00 0.00 C ATOM 220 CD GLU A 28 7.344 5.453 4.125 1.00 0.00 C ATOM 221 OE1 GLU A 28 7.535 4.536 4.951 1.00 0.00 O ATOM 222 OE2 GLU A 28 7.964 6.538 4.149 1.00 0.00 O ATOM 0 H GLU A 28 4.758 5.057 0.418 1.00 0.00 H new ATOM 0 HA GLU A 28 7.452 6.220 0.651 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.314 3.586 1.684 1.00 0.00 H new ATOM 0 HB3 GLU A 28 7.906 4.226 2.042 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.916 6.205 2.720 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.473 4.671 3.443 1.00 0.00 H new ATOM 229 N ALA A 29 6.676 4.467 -1.719 1.00 0.00 N ATOM 230 CA ALA A 29 7.105 3.670 -2.861 1.00 0.00 C ATOM 231 C ALA A 29 8.372 4.240 -3.483 1.00 0.00 C ATOM 232 O ALA A 29 8.332 5.235 -4.205 1.00 0.00 O ATOM 233 CB ALA A 29 6.000 3.591 -3.901 1.00 0.00 C ATOM 0 H ALA A 29 5.817 4.997 -1.867 1.00 0.00 H new ATOM 0 HA ALA A 29 7.324 2.664 -2.503 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.338 2.992 -4.747 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.117 3.129 -3.459 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.751 4.595 -4.244 1.00 0.00 H new ATOM 239 N LEU A 30 9.496 3.591 -3.204 1.00 0.00 N ATOM 240 CA LEU A 30 10.780 4.021 -3.739 1.00 0.00 C ATOM 241 C LEU A 30 11.201 3.122 -4.893 1.00 0.00 C ATOM 242 O LEU A 30 12.198 3.385 -5.567 1.00 0.00 O ATOM 243 CB LEU A 30 11.850 4.003 -2.645 1.00 0.00 C ATOM 244 CG LEU A 30 11.397 4.534 -1.284 1.00 0.00 C ATOM 245 CD1 LEU A 30 12.428 4.210 -0.215 1.00 0.00 C ATOM 246 CD2 LEU A 30 11.149 6.034 -1.353 1.00 0.00 C ATOM 0 H LEU A 30 9.543 2.764 -2.609 1.00 0.00 H new ATOM 0 HA LEU A 30 10.673 5.041 -4.107 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.201 2.979 -2.519 1.00 0.00 H new ATOM 0 HB3 LEU A 30 12.702 4.593 -2.982 1.00 0.00 H new ATOM 0 HG LEU A 30 10.461 4.043 -1.017 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.089 4.595 0.746 1.00 0.00 H new ATOM 0 HD12 LEU A 30 12.556 3.130 -0.148 1.00 0.00 H new ATOM 0 HD13 LEU A 30 13.380 4.672 -0.476 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.827 6.395 -0.376 1.00 0.00 H new ATOM 0 HD22 LEU A 30 12.069 6.542 -1.643 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.373 6.241 -2.090 1.00 0.00 H new ATOM 258 N GLU A 31 10.434 2.058 -5.114 1.00 0.00 N ATOM 259 CA GLU A 31 10.734 1.118 -6.191 1.00 0.00 C ATOM 260 C GLU A 31 9.725 1.245 -7.328 1.00 0.00 C ATOM 261 O GLU A 31 8.647 1.814 -7.156 1.00 0.00 O ATOM 262 CB GLU A 31 10.745 -0.316 -5.662 1.00 0.00 C ATOM 263 CG GLU A 31 11.714 -1.227 -6.397 1.00 0.00 C ATOM 264 CD GLU A 31 12.672 -1.936 -5.461 1.00 0.00 C ATOM 265 OE1 GLU A 31 13.576 -1.267 -4.917 1.00 0.00 O ATOM 266 OE2 GLU A 31 12.520 -3.161 -5.272 1.00 0.00 O ATOM 0 H GLU A 31 9.606 1.826 -4.566 1.00 0.00 H new ATOM 0 HA GLU A 31 11.723 1.361 -6.580 1.00 0.00 H new ATOM 0 HB2 GLU A 31 11.004 -0.302 -4.603 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.740 -0.731 -5.739 1.00 0.00 H new ATOM 0 HG2 GLU A 31 11.151 -1.968 -6.964 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.284 -0.640 -7.117 1.00 0.00 H new ATOM 273 N GLU A 32 10.087 0.709 -8.492 1.00 0.00 N ATOM 274 CA GLU A 32 9.219 0.759 -9.663 1.00 0.00 C ATOM 275 C GLU A 32 8.115 -0.288 -9.568 1.00 0.00 C ATOM 276 O GLU A 32 7.000 -0.073 -10.045 1.00 0.00 O ATOM 277 CB GLU A 32 10.030 0.547 -10.944 1.00 0.00 C ATOM 278 CG GLU A 32 11.165 -0.454 -10.795 1.00 0.00 C ATOM 279 CD GLU A 32 12.500 0.214 -10.524 1.00 0.00 C ATOM 280 OE1 GLU A 32 12.671 1.383 -10.926 1.00 0.00 O ATOM 281 OE2 GLU A 32 13.373 -0.434 -9.911 1.00 0.00 O ATOM 0 H GLU A 32 10.977 0.235 -8.648 1.00 0.00 H new ATOM 0 HA GLU A 32 8.759 1.746 -9.696 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.361 0.208 -11.734 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.442 1.504 -11.264 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.934 -1.141 -9.980 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.240 -1.051 -11.704 1.00 0.00 H new ATOM 288 N ASP A 33 8.429 -1.419 -8.946 1.00 0.00 N ATOM 289 CA ASP A 33 7.459 -2.496 -8.784 1.00 0.00 C ATOM 290 C ASP A 33 6.428 -2.135 -7.723 1.00 0.00 C ATOM 291 O ASP A 33 5.505 -2.903 -7.450 1.00 0.00 O ATOM 292 CB ASP A 33 8.163 -3.799 -8.401 1.00 0.00 C ATOM 293 CG ASP A 33 8.330 -4.734 -9.581 1.00 0.00 C ATOM 294 OD1 ASP A 33 8.942 -4.319 -10.587 1.00 0.00 O ATOM 295 OD2 ASP A 33 7.847 -5.884 -9.501 1.00 0.00 O ATOM 0 H ASP A 33 9.347 -1.614 -8.546 1.00 0.00 H new ATOM 0 HA ASP A 33 6.948 -2.637 -9.737 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.142 -3.570 -7.981 1.00 0.00 H new ATOM 0 HB3 ASP A 33 7.592 -4.302 -7.621 1.00 0.00 H new ATOM 300 N GLU A 34 6.593 -0.959 -7.126 1.00 0.00 N ATOM 301 CA GLU A 34 5.682 -0.487 -6.093 1.00 0.00 C ATOM 302 C GLU A 34 4.767 0.604 -6.637 1.00 0.00 C ATOM 303 O GLU A 34 4.918 1.044 -7.777 1.00 0.00 O ATOM 304 CB GLU A 34 6.472 0.043 -4.894 1.00 0.00 C ATOM 305 CG GLU A 34 7.392 -0.993 -4.266 1.00 0.00 C ATOM 306 CD GLU A 34 8.453 -0.373 -3.376 1.00 0.00 C ATOM 307 OE1 GLU A 34 8.399 0.855 -3.153 1.00 0.00 O ATOM 308 OE2 GLU A 34 9.337 -1.117 -2.902 1.00 0.00 O ATOM 0 H GLU A 34 7.353 -0.314 -7.342 1.00 0.00 H new ATOM 0 HA GLU A 34 5.066 -1.326 -5.771 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.066 0.900 -5.211 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.773 0.402 -4.139 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.797 -1.694 -3.680 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.877 -1.568 -5.055 1.00 0.00 H new ATOM 315 N LEU A 35 3.818 1.035 -5.814 1.00 0.00 N ATOM 316 CA LEU A 35 2.878 2.074 -6.208 1.00 0.00 C ATOM 317 C LEU A 35 2.976 3.270 -5.267 1.00 0.00 C ATOM 318 O LEU A 35 3.116 3.109 -4.054 1.00 0.00 O ATOM 319 CB LEU A 35 1.451 1.516 -6.227 1.00 0.00 C ATOM 320 CG LEU A 35 0.559 1.926 -5.052 1.00 0.00 C ATOM 321 CD1 LEU A 35 -0.230 3.179 -5.393 1.00 0.00 C ATOM 322 CD2 LEU A 35 -0.381 0.792 -4.675 1.00 0.00 C ATOM 0 H LEU A 35 3.680 0.679 -4.868 1.00 0.00 H new ATOM 0 HA LEU A 35 3.132 2.411 -7.213 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.969 1.833 -7.152 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.507 0.428 -6.254 1.00 0.00 H new ATOM 0 HG LEU A 35 1.198 2.144 -4.196 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.858 3.455 -4.546 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.459 3.994 -5.615 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.858 2.988 -6.263 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.007 1.101 -3.838 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.012 0.544 -5.528 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.202 -0.083 -4.388 1.00 0.00 H new ATOM 334 N GLY A 36 2.909 4.468 -5.834 1.00 0.00 N ATOM 335 CA GLY A 36 3.002 5.669 -5.035 1.00 0.00 C ATOM 336 C GLY A 36 1.701 6.442 -4.953 1.00 0.00 C ATOM 337 O GLY A 36 1.219 6.973 -5.953 1.00 0.00 O ATOM 0 H GLY A 36 2.792 4.627 -6.835 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.321 5.402 -4.028 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.774 6.315 -5.453 1.00 0.00 H new ATOM 341 N PHE A 37 1.143 6.517 -3.748 1.00 0.00 N ATOM 342 CA PHE A 37 -0.101 7.243 -3.520 1.00 0.00 C ATOM 343 C PHE A 37 0.160 8.513 -2.718 1.00 0.00 C ATOM 344 O PHE A 37 1.303 8.859 -2.434 1.00 0.00 O ATOM 345 CB PHE A 37 -1.109 6.368 -2.772 1.00 0.00 C ATOM 346 CG PHE A 37 -0.487 5.422 -1.782 1.00 0.00 C ATOM 347 CD1 PHE A 37 0.326 5.896 -0.765 1.00 0.00 C ATOM 348 CD2 PHE A 37 -0.720 4.061 -1.870 1.00 0.00 C ATOM 349 CE1 PHE A 37 0.894 5.028 0.147 1.00 0.00 C ATOM 350 CE2 PHE A 37 -0.155 3.188 -0.961 1.00 0.00 C ATOM 351 CZ PHE A 37 0.654 3.673 0.050 1.00 0.00 C ATOM 0 H PHE A 37 1.535 6.082 -2.913 1.00 0.00 H new ATOM 0 HA PHE A 37 -0.515 7.511 -4.492 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.815 7.013 -2.248 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.682 5.792 -3.498 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.518 6.956 -0.685 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.351 3.677 -2.658 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.526 5.410 0.935 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.345 2.128 -1.040 1.00 0.00 H new ATOM 0 HZ PHE A 37 1.097 2.993 0.762 1.00 0.00 H new ATOM 361 N ARG A 38 -0.905 9.210 -2.359 1.00 0.00 N ATOM 362 CA ARG A 38 -0.779 10.442 -1.591 1.00 0.00 C ATOM 363 C ARG A 38 -1.683 10.435 -0.363 1.00 0.00 C ATOM 364 O ARG A 38 -2.398 9.465 -0.110 1.00 0.00 O ATOM 365 CB ARG A 38 -1.116 11.629 -2.478 1.00 0.00 C ATOM 366 CG ARG A 38 0.093 12.236 -3.154 1.00 0.00 C ATOM 367 CD ARG A 38 -0.168 13.675 -3.568 1.00 0.00 C ATOM 368 NE ARG A 38 0.910 14.220 -4.388 1.00 0.00 N ATOM 369 CZ ARG A 38 0.882 15.437 -4.926 1.00 0.00 C ATOM 370 NH1 ARG A 38 -0.165 16.228 -4.732 1.00 0.00 N ATOM 371 NH2 ARG A 38 1.902 15.864 -5.657 1.00 0.00 N ATOM 0 H ARG A 38 -1.864 8.947 -2.585 1.00 0.00 H new ATOM 0 HA ARG A 38 0.251 10.521 -1.242 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.829 11.313 -3.240 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.609 12.393 -1.878 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.947 12.200 -2.477 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.356 11.645 -4.031 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -1.105 13.727 -4.122 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.290 14.291 -2.677 1.00 0.00 H new ATOM 0 HE ARG A 38 1.729 13.636 -4.558 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.952 15.904 -4.169 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -0.184 17.160 -5.146 1.00 0.00 H new ATOM 0 HH21 ARG A 38 2.710 15.260 -5.808 1.00 0.00 H new ATOM 0 HH22 ARG A 38 1.879 16.797 -6.069 1.00 0.00 H new ATOM 385 N SER A 39 -1.640 11.525 0.396 1.00 0.00 N ATOM 386 CA SER A 39 -2.449 11.658 1.602 1.00 0.00 C ATOM 387 C SER A 39 -3.938 11.577 1.277 1.00 0.00 C ATOM 388 O SER A 39 -4.374 12.004 0.207 1.00 0.00 O ATOM 389 CB SER A 39 -2.141 12.985 2.299 1.00 0.00 C ATOM 390 OG SER A 39 -2.079 12.822 3.704 1.00 0.00 O ATOM 0 H SER A 39 -1.050 12.333 0.196 1.00 0.00 H new ATOM 0 HA SER A 39 -2.198 10.833 2.269 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.193 13.379 1.934 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.909 13.717 2.049 1.00 0.00 H new ATOM 0 HG SER A 39 -1.879 13.684 4.125 1.00 0.00 H new ATOM 396 N GLY A 40 -4.710 11.029 2.210 1.00 0.00 N ATOM 397 CA GLY A 40 -6.143 10.898 2.018 1.00 0.00 C ATOM 398 C GLY A 40 -6.504 10.203 0.719 1.00 0.00 C ATOM 399 O GLY A 40 -7.449 10.605 0.038 1.00 0.00 O ATOM 0 H GLY A 40 -4.366 10.671 3.101 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.567 10.340 2.853 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.598 11.888 2.033 1.00 0.00 H new ATOM 403 N GLU A 41 -5.752 9.162 0.367 1.00 0.00 N ATOM 404 CA GLU A 41 -6.011 8.424 -0.866 1.00 0.00 C ATOM 405 C GLU A 41 -6.412 6.982 -0.578 1.00 0.00 C ATOM 406 O GLU A 41 -5.741 6.276 0.173 1.00 0.00 O ATOM 407 CB GLU A 41 -4.778 8.455 -1.773 1.00 0.00 C ATOM 408 CG GLU A 41 -4.446 9.839 -2.311 1.00 0.00 C ATOM 409 CD GLU A 41 -5.661 10.562 -2.860 1.00 0.00 C ATOM 410 OE1 GLU A 41 -6.297 10.029 -3.793 1.00 0.00 O ATOM 411 OE2 GLU A 41 -5.976 11.661 -2.356 1.00 0.00 O ATOM 0 H GLU A 41 -4.965 8.813 0.914 1.00 0.00 H new ATOM 0 HA GLU A 41 -6.843 8.910 -1.376 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.920 8.076 -1.217 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.939 7.778 -2.612 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.002 10.437 -1.515 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.697 9.748 -3.097 1.00 0.00 H new ATOM 418 N VAL A 42 -7.513 6.551 -1.192 1.00 0.00 N ATOM 419 CA VAL A 42 -8.013 5.192 -1.014 1.00 0.00 C ATOM 420 C VAL A 42 -7.445 4.262 -2.081 1.00 0.00 C ATOM 421 O VAL A 42 -7.418 4.603 -3.264 1.00 0.00 O ATOM 422 CB VAL A 42 -9.552 5.141 -1.073 1.00 0.00 C ATOM 423 CG1 VAL A 42 -10.068 3.839 -0.482 1.00 0.00 C ATOM 424 CG2 VAL A 42 -10.155 6.339 -0.352 1.00 0.00 C ATOM 0 H VAL A 42 -8.076 7.126 -1.818 1.00 0.00 H new ATOM 0 HA VAL A 42 -7.688 4.861 -0.028 1.00 0.00 H new ATOM 0 HB VAL A 42 -9.858 5.184 -2.118 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.157 3.823 -0.533 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -9.665 2.998 -1.047 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -9.752 3.761 0.558 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -11.242 6.286 -0.404 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -9.841 6.331 0.692 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -9.814 7.259 -0.827 1.00 0.00 H new ATOM 434 N VAL A 43 -6.983 3.090 -1.655 1.00 0.00 N ATOM 435 CA VAL A 43 -6.405 2.117 -2.575 1.00 0.00 C ATOM 436 C VAL A 43 -7.004 0.727 -2.375 1.00 0.00 C ATOM 437 O VAL A 43 -7.247 0.304 -1.247 1.00 0.00 O ATOM 438 CB VAL A 43 -4.875 2.028 -2.393 1.00 0.00 C ATOM 439 CG1 VAL A 43 -4.283 0.947 -3.282 1.00 0.00 C ATOM 440 CG2 VAL A 43 -4.224 3.373 -2.672 1.00 0.00 C ATOM 0 H VAL A 43 -6.998 2.792 -0.680 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.637 2.462 -3.583 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.672 1.758 -1.357 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.204 0.905 -3.134 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.722 -0.017 -3.024 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.498 1.176 -4.326 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.145 3.290 -2.538 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.440 3.677 -3.696 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.619 4.118 -1.982 1.00 0.00 H new ATOM 450 N GLU A 44 -7.213 0.012 -3.475 1.00 0.00 N ATOM 451 CA GLU A 44 -7.750 -1.342 -3.415 1.00 0.00 C ATOM 452 C GLU A 44 -6.601 -2.344 -3.418 1.00 0.00 C ATOM 453 O GLU A 44 -5.917 -2.510 -4.427 1.00 0.00 O ATOM 454 CB GLU A 44 -8.686 -1.609 -4.597 1.00 0.00 C ATOM 455 CG GLU A 44 -9.397 -2.950 -4.520 1.00 0.00 C ATOM 456 CD GLU A 44 -10.670 -2.985 -5.342 1.00 0.00 C ATOM 457 OE1 GLU A 44 -10.655 -2.478 -6.483 1.00 0.00 O ATOM 458 OE2 GLU A 44 -11.685 -3.519 -4.844 1.00 0.00 O ATOM 0 H GLU A 44 -7.019 0.347 -4.418 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.326 -1.452 -2.496 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.431 -0.815 -4.646 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.111 -1.565 -5.522 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.724 -3.734 -4.867 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -9.635 -3.171 -3.480 1.00 0.00 H new ATOM 465 N VAL A 45 -6.379 -2.996 -2.281 1.00 0.00 N ATOM 466 CA VAL A 45 -5.293 -3.962 -2.166 1.00 0.00 C ATOM 467 C VAL A 45 -5.679 -5.299 -2.782 1.00 0.00 C ATOM 468 O VAL A 45 -6.782 -5.802 -2.567 1.00 0.00 O ATOM 469 CB VAL A 45 -4.871 -4.179 -0.701 1.00 0.00 C ATOM 470 CG1 VAL A 45 -3.749 -5.201 -0.607 1.00 0.00 C ATOM 471 CG2 VAL A 45 -4.448 -2.862 -0.071 1.00 0.00 C ATOM 0 H VAL A 45 -6.932 -2.874 -1.433 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.447 -3.545 -2.712 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.729 -4.567 -0.152 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.468 -5.338 0.437 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.087 -6.152 -1.019 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.886 -4.847 -1.172 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.153 -3.032 0.964 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.606 -2.448 -0.625 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.282 -2.161 -0.100 1.00 0.00 H new ATOM 481 N LEU A 46 -4.761 -5.863 -3.557 1.00 0.00 N ATOM 482 CA LEU A 46 -4.993 -7.137 -4.219 1.00 0.00 C ATOM 483 C LEU A 46 -4.267 -8.270 -3.498 1.00 0.00 C ATOM 484 O LEU A 46 -4.492 -9.445 -3.786 1.00 0.00 O ATOM 485 CB LEU A 46 -4.530 -7.055 -5.675 1.00 0.00 C ATOM 486 CG LEU A 46 -5.636 -6.765 -6.693 1.00 0.00 C ATOM 487 CD1 LEU A 46 -5.069 -6.050 -7.908 1.00 0.00 C ATOM 488 CD2 LEU A 46 -6.328 -8.054 -7.108 1.00 0.00 C ATOM 0 H LEU A 46 -3.845 -5.454 -3.742 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.062 -7.351 -4.191 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.771 -6.277 -5.755 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.051 -7.997 -5.941 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.373 -6.113 -6.224 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.870 -5.852 -8.620 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.618 -5.107 -7.598 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.311 -6.677 -8.378 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.111 -7.830 -7.832 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.600 -8.729 -7.558 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.769 -8.529 -6.232 1.00 0.00 H new ATOM 500 N ASP A 47 -3.392 -7.910 -2.561 1.00 0.00 N ATOM 501 CA ASP A 47 -2.634 -8.901 -1.804 1.00 0.00 C ATOM 502 C ASP A 47 -2.122 -8.327 -0.484 1.00 0.00 C ATOM 503 O ASP A 47 -1.024 -7.775 -0.423 1.00 0.00 O ATOM 504 CB ASP A 47 -1.460 -9.415 -2.637 1.00 0.00 C ATOM 505 CG ASP A 47 -1.086 -10.843 -2.290 1.00 0.00 C ATOM 506 OD1 ASP A 47 -1.743 -11.771 -2.806 1.00 0.00 O ATOM 507 OD2 ASP A 47 -0.133 -11.033 -1.504 1.00 0.00 O ATOM 0 H ASP A 47 -3.192 -6.942 -2.309 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.306 -9.728 -1.574 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.715 -9.356 -3.695 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.597 -8.768 -2.481 1.00 0.00 H new ATOM 512 N SER A 48 -2.922 -8.474 0.571 1.00 0.00 N ATOM 513 CA SER A 48 -2.553 -7.984 1.899 1.00 0.00 C ATOM 514 C SER A 48 -1.807 -9.044 2.673 1.00 0.00 C ATOM 515 O SER A 48 -1.369 -8.799 3.798 1.00 0.00 O ATOM 516 CB SER A 48 -3.797 -7.543 2.673 1.00 0.00 C ATOM 517 OG SER A 48 -4.957 -8.200 2.193 1.00 0.00 O ATOM 0 H SER A 48 -3.833 -8.930 0.532 1.00 0.00 H new ATOM 0 HA SER A 48 -1.897 -7.123 1.772 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.665 -7.760 3.733 1.00 0.00 H new ATOM 0 HB3 SER A 48 -3.922 -6.464 2.581 1.00 0.00 H new ATOM 0 HG SER A 48 -5.737 -7.902 2.705 1.00 0.00 H new ATOM 523 N SER A 49 -1.627 -10.212 2.075 1.00 0.00 N ATOM 524 CA SER A 49 -0.889 -11.245 2.758 1.00 0.00 C ATOM 525 C SER A 49 0.586 -10.886 2.718 1.00 0.00 C ATOM 526 O SER A 49 1.200 -10.852 1.652 1.00 0.00 O ATOM 527 CB SER A 49 -1.128 -12.603 2.097 1.00 0.00 C ATOM 528 OG SER A 49 -0.950 -13.662 3.021 1.00 0.00 O ATOM 0 H SER A 49 -1.972 -10.457 1.147 1.00 0.00 H new ATOM 0 HA SER A 49 -1.225 -11.317 3.792 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.138 -12.639 1.689 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.442 -12.728 1.260 1.00 0.00 H new ATOM 0 HG SER A 49 -1.111 -14.518 2.572 1.00 0.00 H new ATOM 534 N ASN A 50 1.124 -10.611 3.899 1.00 0.00 N ATOM 535 CA ASN A 50 2.521 -10.223 4.085 1.00 0.00 C ATOM 536 C ASN A 50 2.678 -9.584 5.465 1.00 0.00 C ATOM 537 O ASN A 50 1.685 -9.192 6.078 1.00 0.00 O ATOM 538 CB ASN A 50 2.945 -9.227 3.009 1.00 0.00 C ATOM 539 CG ASN A 50 3.776 -9.855 1.911 1.00 0.00 C ATOM 540 OD1 ASN A 50 4.721 -10.600 2.172 1.00 0.00 O ATOM 541 ND2 ASN A 50 3.419 -9.553 0.668 1.00 0.00 N ATOM 0 H ASN A 50 0.595 -10.651 4.770 1.00 0.00 H new ATOM 0 HA ASN A 50 3.153 -11.108 4.008 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.055 -8.776 2.570 1.00 0.00 H new ATOM 0 HB3 ASN A 50 3.515 -8.422 3.472 1.00 0.00 H new ATOM 0 HD21 ASN A 50 3.936 -9.944 -0.120 1.00 0.00 H new ATOM 0 HD22 ASN A 50 2.628 -8.931 0.501 1.00 0.00 H new ATOM 548 N PRO A 51 3.908 -9.489 5.996 1.00 0.00 N ATOM 549 CA PRO A 51 4.136 -8.920 7.315 1.00 0.00 C ATOM 550 C PRO A 51 4.464 -7.426 7.312 1.00 0.00 C ATOM 551 O PRO A 51 4.707 -6.850 8.373 1.00 0.00 O ATOM 552 CB PRO A 51 5.336 -9.727 7.798 1.00 0.00 C ATOM 553 CG PRO A 51 6.127 -10.015 6.559 1.00 0.00 C ATOM 554 CD PRO A 51 5.166 -9.953 5.390 1.00 0.00 C ATOM 0 HA PRO A 51 3.245 -8.979 7.940 1.00 0.00 H new ATOM 0 HB2 PRO A 51 5.926 -9.164 8.522 1.00 0.00 H new ATOM 0 HB3 PRO A 51 5.022 -10.648 8.290 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.929 -9.287 6.437 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.595 -10.998 6.621 1.00 0.00 H new ATOM 0 HD2 PRO A 51 5.516 -9.266 4.620 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.047 -10.928 4.917 1.00 0.00 H new ATOM 562 N SER A 52 4.474 -6.794 6.140 1.00 0.00 N ATOM 563 CA SER A 52 4.781 -5.364 6.076 1.00 0.00 C ATOM 564 C SER A 52 4.455 -4.752 4.716 1.00 0.00 C ATOM 565 O SER A 52 3.860 -3.678 4.644 1.00 0.00 O ATOM 566 CB SER A 52 6.255 -5.127 6.405 1.00 0.00 C ATOM 567 OG SER A 52 6.408 -4.588 7.706 1.00 0.00 O ATOM 0 H SER A 52 4.278 -7.235 5.241 1.00 0.00 H new ATOM 0 HA SER A 52 4.149 -4.872 6.815 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.803 -6.066 6.331 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.689 -4.446 5.673 1.00 0.00 H new ATOM 0 HG SER A 52 5.924 -5.146 8.350 1.00 0.00 H new ATOM 573 N TRP A 53 4.862 -5.417 3.641 1.00 0.00 N ATOM 574 CA TRP A 53 4.617 -4.902 2.296 1.00 0.00 C ATOM 575 C TRP A 53 3.547 -5.711 1.569 1.00 0.00 C ATOM 576 O TRP A 53 3.734 -6.895 1.295 1.00 0.00 O ATOM 577 CB TRP A 53 5.913 -4.917 1.482 1.00 0.00 C ATOM 578 CG TRP A 53 6.741 -3.678 1.646 1.00 0.00 C ATOM 579 CD1 TRP A 53 7.675 -3.438 2.610 1.00 0.00 C ATOM 580 CD2 TRP A 53 6.711 -2.511 0.816 1.00 0.00 C ATOM 581 NE1 TRP A 53 8.230 -2.195 2.431 1.00 0.00 N ATOM 582 CE2 TRP A 53 7.654 -1.605 1.337 1.00 0.00 C ATOM 583 CE3 TRP A 53 5.980 -2.143 -0.316 1.00 0.00 C ATOM 584 CZ2 TRP A 53 7.884 -0.357 0.764 1.00 0.00 C ATOM 585 CZ3 TRP A 53 6.209 -0.904 -0.883 1.00 0.00 C ATOM 586 CH2 TRP A 53 7.154 -0.025 -0.343 1.00 0.00 C ATOM 0 H TRP A 53 5.359 -6.307 3.672 1.00 0.00 H new ATOM 0 HA TRP A 53 4.258 -3.878 2.397 1.00 0.00 H new ATOM 0 HB2 TRP A 53 6.507 -5.782 1.777 1.00 0.00 H new ATOM 0 HB3 TRP A 53 5.668 -5.043 0.427 1.00 0.00 H new ATOM 0 HD1 TRP A 53 7.940 -4.126 3.400 1.00 0.00 H new ATOM 0 HE1 TRP A 53 8.953 -1.779 3.017 1.00 0.00 H new ATOM 0 HE3 TRP A 53 5.249 -2.815 -0.740 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 8.612 0.324 1.179 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 5.649 -0.609 -1.758 1.00 0.00 H new ATOM 0 HH2 TRP A 53 7.310 0.936 -0.811 1.00 0.00 H new ATOM 597 N TRP A 54 2.432 -5.057 1.243 1.00 0.00 N ATOM 598 CA TRP A 54 1.343 -5.719 0.528 1.00 0.00 C ATOM 599 C TRP A 54 1.225 -5.186 -0.895 1.00 0.00 C ATOM 600 O TRP A 54 1.352 -3.984 -1.130 1.00 0.00 O ATOM 601 CB TRP A 54 -0.001 -5.520 1.240 1.00 0.00 C ATOM 602 CG TRP A 54 -0.002 -5.870 2.694 1.00 0.00 C ATOM 603 CD1 TRP A 54 0.870 -6.689 3.339 1.00 0.00 C ATOM 604 CD2 TRP A 54 -0.941 -5.425 3.681 1.00 0.00 C ATOM 605 NE1 TRP A 54 0.528 -6.796 4.661 1.00 0.00 N ATOM 606 CE2 TRP A 54 -0.576 -6.022 4.900 1.00 0.00 C ATOM 607 CE3 TRP A 54 -2.054 -4.580 3.651 1.00 0.00 C ATOM 608 CZ2 TRP A 54 -1.284 -5.802 6.080 1.00 0.00 C ATOM 609 CZ3 TRP A 54 -2.755 -4.360 4.822 1.00 0.00 C ATOM 610 CH2 TRP A 54 -2.367 -4.968 6.022 1.00 0.00 C ATOM 0 H TRP A 54 2.260 -4.076 1.461 1.00 0.00 H new ATOM 0 HA TRP A 54 1.581 -6.783 0.505 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.302 -4.478 1.132 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.756 -6.124 0.736 1.00 0.00 H new ATOM 0 HD1 TRP A 54 1.711 -7.184 2.876 1.00 0.00 H new ATOM 0 HE1 TRP A 54 1.017 -7.361 5.355 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -2.361 -4.107 2.730 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.989 -6.273 7.006 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.616 -3.708 4.811 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -2.934 -4.775 6.920 1.00 0.00 H new ATOM 621 N THR A 55 0.965 -6.083 -1.840 1.00 0.00 N ATOM 622 CA THR A 55 0.813 -5.695 -3.236 1.00 0.00 C ATOM 623 C THR A 55 -0.610 -5.214 -3.512 1.00 0.00 C ATOM 624 O THR A 55 -1.566 -5.980 -3.398 1.00 0.00 O ATOM 625 CB THR A 55 1.142 -6.860 -4.186 1.00 0.00 C ATOM 626 OG1 THR A 55 2.379 -7.474 -3.804 1.00 0.00 O ATOM 627 CG2 THR A 55 1.235 -6.374 -5.625 1.00 0.00 C ATOM 0 H THR A 55 0.855 -7.082 -1.664 1.00 0.00 H new ATOM 0 HA THR A 55 1.516 -4.883 -3.420 1.00 0.00 H new ATOM 0 HB THR A 55 0.338 -7.593 -4.116 1.00 0.00 H new ATOM 0 HG1 THR A 55 2.578 -8.215 -4.414 1.00 0.00 H new ATOM 0 HG21 THR A 55 1.468 -7.215 -6.279 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.283 -5.936 -5.923 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.021 -5.623 -5.705 1.00 0.00 H new ATOM 635 N GLY A 56 -0.739 -3.944 -3.880 1.00 0.00 N ATOM 636 CA GLY A 56 -2.046 -3.379 -4.172 1.00 0.00 C ATOM 637 C GLY A 56 -2.003 -2.425 -5.351 1.00 0.00 C ATOM 638 O GLY A 56 -0.954 -2.251 -5.968 1.00 0.00 O ATOM 0 H GLY A 56 0.040 -3.293 -3.982 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.750 -4.184 -4.383 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.418 -2.852 -3.293 1.00 0.00 H new ATOM 642 N ARG A 57 -3.135 -1.806 -5.674 1.00 0.00 N ATOM 643 CA ARG A 57 -3.189 -0.874 -6.797 1.00 0.00 C ATOM 644 C ARG A 57 -4.104 0.317 -6.513 1.00 0.00 C ATOM 645 O ARG A 57 -5.234 0.152 -6.051 1.00 0.00 O ATOM 646 CB ARG A 57 -3.649 -1.596 -8.067 1.00 0.00 C ATOM 647 CG ARG A 57 -4.973 -2.326 -7.908 1.00 0.00 C ATOM 648 CD ARG A 57 -5.663 -2.524 -9.248 1.00 0.00 C ATOM 649 NE ARG A 57 -6.923 -3.250 -9.116 1.00 0.00 N ATOM 650 CZ ARG A 57 -7.672 -3.624 -10.150 1.00 0.00 C ATOM 651 NH1 ARG A 57 -7.288 -3.341 -11.388 1.00 0.00 N ATOM 652 NH2 ARG A 57 -8.805 -4.282 -9.946 1.00 0.00 N ATOM 0 H ARG A 57 -4.019 -1.930 -5.180 1.00 0.00 H new ATOM 0 HA ARG A 57 -2.181 -0.487 -6.944 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -3.739 -0.870 -8.875 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -2.883 -2.312 -8.365 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -4.802 -3.295 -7.439 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.624 -1.760 -7.242 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -5.851 -1.553 -9.705 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -5.000 -3.069 -9.920 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.247 -3.484 -8.178 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -6.417 -2.836 -11.549 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -7.864 -3.629 -12.179 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -9.103 -4.502 -8.996 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -9.378 -4.568 -10.739 1.00 0.00 H new ATOM 666 N LEU A 58 -3.604 1.514 -6.813 1.00 0.00 N ATOM 667 CA LEU A 58 -4.364 2.747 -6.613 1.00 0.00 C ATOM 668 C LEU A 58 -4.973 3.198 -7.935 1.00 0.00 C ATOM 669 O LEU A 58 -4.251 3.500 -8.884 1.00 0.00 O ATOM 670 CB LEU A 58 -3.451 3.844 -6.046 1.00 0.00 C ATOM 671 CG LEU A 58 -4.001 5.275 -6.118 1.00 0.00 C ATOM 672 CD1 LEU A 58 -3.720 6.022 -4.825 1.00 0.00 C ATOM 673 CD2 LEU A 58 -3.402 6.018 -7.303 1.00 0.00 C ATOM 0 H LEU A 58 -2.670 1.657 -7.198 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.167 2.559 -5.900 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.237 3.609 -5.003 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.502 3.813 -6.581 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.081 5.220 -6.255 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.118 7.034 -4.896 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.196 5.502 -3.994 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.644 6.066 -4.657 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.803 7.031 -7.338 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.318 6.061 -7.195 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.655 5.495 -8.226 1.00 0.00 H new ATOM 685 N HIS A 59 -6.303 3.227 -7.992 1.00 0.00 N ATOM 686 CA HIS A 59 -7.013 3.624 -9.206 1.00 0.00 C ATOM 687 C HIS A 59 -6.764 2.615 -10.323 1.00 0.00 C ATOM 688 O HIS A 59 -7.547 1.684 -10.514 1.00 0.00 O ATOM 689 CB HIS A 59 -6.586 5.026 -9.653 1.00 0.00 C ATOM 690 CG HIS A 59 -7.190 6.130 -8.839 1.00 0.00 C ATOM 691 ND1 HIS A 59 -7.431 7.391 -9.343 1.00 0.00 N ATOM 692 CD2 HIS A 59 -7.600 6.160 -7.548 1.00 0.00 C ATOM 693 CE1 HIS A 59 -7.961 8.147 -8.399 1.00 0.00 C ATOM 694 NE2 HIS A 59 -8.075 7.424 -7.301 1.00 0.00 N ATOM 0 H HIS A 59 -6.911 2.980 -7.211 1.00 0.00 H new ATOM 0 HA HIS A 59 -8.080 3.645 -8.984 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -5.500 5.100 -9.599 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -6.863 5.164 -10.698 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -7.560 5.342 -6.844 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -8.252 9.181 -8.507 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -8.455 7.751 -6.413 1.00 0.00 H new ATOM 703 N ASN A 60 -5.668 2.799 -11.057 1.00 0.00 N ATOM 704 CA ASN A 60 -5.323 1.895 -12.150 1.00 0.00 C ATOM 705 C ASN A 60 -3.832 1.559 -12.150 1.00 0.00 C ATOM 706 O ASN A 60 -3.349 0.849 -13.033 1.00 0.00 O ATOM 707 CB ASN A 60 -5.718 2.512 -13.493 1.00 0.00 C ATOM 708 CG ASN A 60 -6.115 1.468 -14.518 1.00 0.00 C ATOM 709 OD1 ASN A 60 -5.872 0.275 -14.333 1.00 0.00 O ATOM 710 ND2 ASN A 60 -6.729 1.914 -15.607 1.00 0.00 N ATOM 0 H ASN A 60 -5.007 3.563 -10.915 1.00 0.00 H new ATOM 0 HA ASN A 60 -5.878 0.969 -12.001 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -6.548 3.202 -13.342 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.884 3.097 -13.880 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.020 1.259 -16.333 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.910 2.912 -15.718 1.00 0.00 H new ATOM 717 N LYS A 61 -3.110 2.060 -11.153 1.00 0.00 N ATOM 718 CA LYS A 61 -1.679 1.801 -11.038 1.00 0.00 C ATOM 719 C LYS A 61 -1.427 0.672 -10.047 1.00 0.00 C ATOM 720 O LYS A 61 -1.925 0.705 -8.924 1.00 0.00 O ATOM 721 CB LYS A 61 -0.942 3.064 -10.594 1.00 0.00 C ATOM 722 CG LYS A 61 -1.084 4.223 -11.566 1.00 0.00 C ATOM 723 CD LYS A 61 -0.090 5.332 -11.260 1.00 0.00 C ATOM 724 CE LYS A 61 1.182 5.177 -12.078 1.00 0.00 C ATOM 725 NZ LYS A 61 0.970 5.534 -13.508 1.00 0.00 N ATOM 0 H LYS A 61 -3.493 2.648 -10.413 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.301 1.503 -12.016 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.319 3.371 -9.618 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.116 2.833 -10.469 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.930 3.866 -12.584 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.099 4.618 -11.517 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.545 6.299 -11.472 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.155 5.321 -10.198 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.963 5.810 -11.658 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.535 4.148 -12.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.891 5.679 -13.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.460 4.764 -13.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.411 6.409 -13.568 1.00 0.00 H new ATOM 739 N LEU A 62 -0.664 -0.330 -10.469 1.00 0.00 N ATOM 740 CA LEU A 62 -0.367 -1.473 -9.614 1.00 0.00 C ATOM 741 C LEU A 62 1.045 -1.390 -9.044 1.00 0.00 C ATOM 742 O LEU A 62 1.979 -0.965 -9.723 1.00 0.00 O ATOM 743 CB LEU A 62 -0.537 -2.775 -10.401 1.00 0.00 C ATOM 744 CG LEU A 62 -1.799 -2.849 -11.263 1.00 0.00 C ATOM 745 CD1 LEU A 62 -1.448 -2.724 -12.737 1.00 0.00 C ATOM 746 CD2 LEU A 62 -2.548 -4.147 -11.000 1.00 0.00 C ATOM 0 H LEU A 62 -0.241 -0.374 -11.396 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.068 -1.459 -8.780 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.333 -2.909 -11.044 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.546 -3.608 -9.698 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.449 -2.016 -10.994 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.358 -2.779 -13.334 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.955 -1.768 -12.914 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.778 -3.535 -13.022 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.443 -4.183 -11.621 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.905 -4.993 -11.241 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.834 -4.196 -9.949 1.00 0.00 H new ATOM 758 N GLY A 63 1.187 -1.804 -7.787 1.00 0.00 N ATOM 759 CA GLY A 63 2.483 -1.777 -7.134 1.00 0.00 C ATOM 760 C GLY A 63 2.385 -1.989 -5.633 1.00 0.00 C ATOM 761 O GLY A 63 1.353 -1.709 -5.026 1.00 0.00 O ATOM 0 H GLY A 63 0.425 -2.158 -7.209 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.119 -2.550 -7.566 1.00 0.00 H new ATOM 0 HA3 GLY A 63 2.965 -0.820 -7.331 1.00 0.00 H new ATOM 765 N LEU A 64 3.465 -2.483 -5.035 1.00 0.00 N ATOM 766 CA LEU A 64 3.498 -2.733 -3.594 1.00 0.00 C ATOM 767 C LEU A 64 3.436 -1.423 -2.811 1.00 0.00 C ATOM 768 O LEU A 64 3.844 -0.373 -3.308 1.00 0.00 O ATOM 769 CB LEU A 64 4.762 -3.513 -3.209 1.00 0.00 C ATOM 770 CG LEU A 64 5.477 -4.223 -4.363 1.00 0.00 C ATOM 771 CD1 LEU A 64 6.903 -4.571 -3.970 1.00 0.00 C ATOM 772 CD2 LEU A 64 4.716 -5.474 -4.773 1.00 0.00 C ATOM 0 H LEU A 64 4.329 -2.719 -5.523 1.00 0.00 H new ATOM 0 HA LEU A 64 2.623 -3.331 -3.339 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.464 -2.824 -2.739 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.494 -4.257 -2.458 1.00 0.00 H new ATOM 0 HG LEU A 64 5.510 -3.546 -5.217 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.397 -5.075 -4.801 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.446 -3.658 -3.725 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.891 -5.230 -3.102 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.239 -5.965 -5.594 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.652 -6.155 -3.925 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.711 -5.200 -5.095 1.00 0.00 H new ATOM 784 N PHE A 65 2.921 -1.489 -1.585 1.00 0.00 N ATOM 785 CA PHE A 65 2.804 -0.303 -0.739 1.00 0.00 C ATOM 786 C PHE A 65 3.163 -0.625 0.714 1.00 0.00 C ATOM 787 O PHE A 65 3.153 -1.789 1.118 1.00 0.00 O ATOM 788 CB PHE A 65 1.378 0.263 -0.815 1.00 0.00 C ATOM 789 CG PHE A 65 0.424 -0.360 0.166 1.00 0.00 C ATOM 790 CD1 PHE A 65 0.336 0.122 1.460 1.00 0.00 C ATOM 791 CD2 PHE A 65 -0.376 -1.430 -0.203 1.00 0.00 C ATOM 792 CE1 PHE A 65 -0.525 -0.447 2.371 1.00 0.00 C ATOM 793 CE2 PHE A 65 -1.242 -2.007 0.704 1.00 0.00 C ATOM 794 CZ PHE A 65 -1.317 -1.516 1.995 1.00 0.00 C ATOM 0 H PHE A 65 2.579 -2.349 -1.156 1.00 0.00 H new ATOM 0 HA PHE A 65 3.507 0.445 -1.106 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.414 1.338 -0.639 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.993 0.118 -1.824 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.952 0.957 1.760 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.321 -1.816 -1.210 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.582 -0.059 3.377 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.860 -2.841 0.406 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.992 -1.966 2.707 1.00 0.00 H new ATOM 804 N PRO A 66 3.475 0.407 1.526 1.00 0.00 N ATOM 805 CA PRO A 66 3.823 0.223 2.940 1.00 0.00 C ATOM 806 C PRO A 66 2.589 0.027 3.820 1.00 0.00 C ATOM 807 O PRO A 66 1.853 0.975 4.090 1.00 0.00 O ATOM 808 CB PRO A 66 4.508 1.541 3.285 1.00 0.00 C ATOM 809 CG PRO A 66 3.800 2.538 2.441 1.00 0.00 C ATOM 810 CD PRO A 66 3.512 1.837 1.140 1.00 0.00 C ATOM 0 HA PRO A 66 4.435 -0.663 3.106 1.00 0.00 H new ATOM 0 HB2 PRO A 66 4.414 1.775 4.345 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.574 1.510 3.059 1.00 0.00 H new ATOM 0 HG2 PRO A 66 2.879 2.872 2.918 1.00 0.00 H new ATOM 0 HG3 PRO A 66 4.415 3.423 2.281 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.565 2.162 0.709 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.285 2.034 0.397 1.00 0.00 H new ATOM 818 N ALA A 67 2.367 -1.205 4.267 1.00 0.00 N ATOM 819 CA ALA A 67 1.220 -1.508 5.117 1.00 0.00 C ATOM 820 C ALA A 67 1.347 -0.830 6.477 1.00 0.00 C ATOM 821 O ALA A 67 0.404 -0.824 7.268 1.00 0.00 O ATOM 822 CB ALA A 67 1.066 -3.011 5.288 1.00 0.00 C ATOM 0 H ALA A 67 2.962 -2.006 4.057 1.00 0.00 H new ATOM 0 HA ALA A 67 0.328 -1.117 4.627 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.206 -3.219 5.925 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.916 -3.475 4.313 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.966 -3.419 5.749 1.00 0.00 H new ATOM 828 N ASN A 68 2.517 -0.257 6.740 1.00 0.00 N ATOM 829 CA ASN A 68 2.766 0.426 8.004 1.00 0.00 C ATOM 830 C ASN A 68 2.452 1.914 7.885 1.00 0.00 C ATOM 831 O ASN A 68 2.038 2.550 8.855 1.00 0.00 O ATOM 832 CB ASN A 68 4.222 0.220 8.440 1.00 0.00 C ATOM 833 CG ASN A 68 4.938 1.520 8.762 1.00 0.00 C ATOM 834 OD1 ASN A 68 5.194 1.828 9.926 1.00 0.00 O ATOM 835 ND2 ASN A 68 5.267 2.288 7.729 1.00 0.00 N ATOM 0 H ASN A 68 3.307 -0.252 6.095 1.00 0.00 H new ATOM 0 HA ASN A 68 2.109 -0.001 8.762 1.00 0.00 H new ATOM 0 HB2 ASN A 68 4.244 -0.427 9.317 1.00 0.00 H new ATOM 0 HB3 ASN A 68 4.762 -0.299 7.648 1.00 0.00 H new ATOM 0 HD21 ASN A 68 5.751 3.172 7.885 1.00 0.00 H new ATOM 0 HD22 ASN A 68 5.035 1.994 6.780 1.00 0.00 H new ATOM 842 N TYR A 69 2.650 2.465 6.690 1.00 0.00 N ATOM 843 CA TYR A 69 2.389 3.878 6.447 1.00 0.00 C ATOM 844 C TYR A 69 0.893 4.145 6.347 1.00 0.00 C ATOM 845 O TYR A 69 0.399 5.153 6.853 1.00 0.00 O ATOM 846 CB TYR A 69 3.085 4.338 5.166 1.00 0.00 C ATOM 847 CG TYR A 69 3.783 5.674 5.295 1.00 0.00 C ATOM 848 CD1 TYR A 69 4.810 5.860 6.211 1.00 0.00 C ATOM 849 CD2 TYR A 69 3.417 6.749 4.493 1.00 0.00 C ATOM 850 CE1 TYR A 69 5.451 7.079 6.328 1.00 0.00 C ATOM 851 CE2 TYR A 69 4.055 7.971 4.603 1.00 0.00 C ATOM 852 CZ TYR A 69 5.071 8.130 5.521 1.00 0.00 C ATOM 853 OH TYR A 69 5.708 9.345 5.633 1.00 0.00 O ATOM 0 H TYR A 69 2.990 1.953 5.876 1.00 0.00 H new ATOM 0 HA TYR A 69 2.787 4.443 7.290 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.815 3.585 4.870 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.348 4.400 4.365 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.113 5.038 6.843 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.622 6.628 3.772 1.00 0.00 H new ATOM 0 HE1 TYR A 69 6.246 7.207 7.048 1.00 0.00 H new ATOM 0 HE2 TYR A 69 3.759 8.797 3.973 1.00 0.00 H new ATOM 0 HH TYR A 69 5.321 9.977 4.992 1.00 0.00 H new ATOM 863 N VAL A 70 0.174 3.243 5.684 1.00 0.00 N ATOM 864 CA VAL A 70 -1.268 3.400 5.517 1.00 0.00 C ATOM 865 C VAL A 70 -2.033 2.194 6.067 1.00 0.00 C ATOM 866 O VAL A 70 -1.469 1.114 6.239 1.00 0.00 O ATOM 867 CB VAL A 70 -1.634 3.621 4.032 1.00 0.00 C ATOM 868 CG1 VAL A 70 -0.443 4.178 3.266 1.00 0.00 C ATOM 869 CG2 VAL A 70 -2.125 2.333 3.387 1.00 0.00 C ATOM 0 H VAL A 70 0.562 2.402 5.257 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.562 4.281 6.087 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.446 4.347 3.993 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.719 4.327 2.222 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.144 5.131 3.702 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.388 3.475 3.324 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.375 2.521 2.343 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.342 1.577 3.442 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.011 1.977 3.913 1.00 0.00 H new ATOM 879 N ALA A 71 -3.322 2.395 6.344 1.00 0.00 N ATOM 880 CA ALA A 71 -4.170 1.329 6.880 1.00 0.00 C ATOM 881 C ALA A 71 -5.383 1.081 5.984 1.00 0.00 C ATOM 882 O ALA A 71 -5.845 1.989 5.292 1.00 0.00 O ATOM 883 CB ALA A 71 -4.612 1.673 8.293 1.00 0.00 C ATOM 0 H ALA A 71 -3.801 3.285 6.206 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.584 0.410 6.906 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.242 0.873 8.682 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.735 1.787 8.931 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.176 2.606 8.281 1.00 0.00 H new ATOM 889 N PRO A 72 -5.910 -0.162 5.967 1.00 0.00 N ATOM 890 CA PRO A 72 -7.064 -0.525 5.133 1.00 0.00 C ATOM 891 C PRO A 72 -8.292 0.339 5.366 1.00 0.00 C ATOM 892 O PRO A 72 -8.288 1.253 6.189 1.00 0.00 O ATOM 893 CB PRO A 72 -7.351 -1.976 5.520 1.00 0.00 C ATOM 894 CG PRO A 72 -6.051 -2.486 6.025 1.00 0.00 C ATOM 895 CD PRO A 72 -5.417 -1.321 6.736 1.00 0.00 C ATOM 0 HA PRO A 72 -6.836 -0.380 4.077 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -8.126 -2.038 6.284 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.700 -2.554 4.664 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.195 -3.329 6.701 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -5.422 -2.838 5.207 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.720 -1.271 7.782 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.329 -1.382 6.722 1.00 0.00 H new ATOM 903 N MET A 73 -9.339 0.040 4.606 1.00 0.00 N ATOM 904 CA MET A 73 -10.588 0.776 4.683 1.00 0.00 C ATOM 905 C MET A 73 -11.755 -0.100 4.245 1.00 0.00 C ATOM 906 O MET A 73 -11.986 -0.285 3.050 1.00 0.00 O ATOM 907 CB MET A 73 -10.503 2.008 3.788 1.00 0.00 C ATOM 908 CG MET A 73 -11.405 3.150 4.226 1.00 0.00 C ATOM 909 SD MET A 73 -13.070 3.022 3.545 1.00 0.00 S ATOM 910 CE MET A 73 -12.720 3.013 1.789 1.00 0.00 C ATOM 0 H MET A 73 -9.343 -0.717 3.923 1.00 0.00 H new ATOM 0 HA MET A 73 -10.755 1.081 5.716 1.00 0.00 H new ATOM 0 HB2 MET A 73 -9.472 2.360 3.768 1.00 0.00 H new ATOM 0 HB3 MET A 73 -10.763 1.723 2.768 1.00 0.00 H new ATOM 0 HG2 MET A 73 -11.462 3.165 5.314 1.00 0.00 H new ATOM 0 HG3 MET A 73 -10.962 4.097 3.917 1.00 0.00 H new ATOM 0 HE1 MET A 73 -13.590 3.378 1.243 1.00 0.00 H new ATOM 0 HE2 MET A 73 -11.866 3.659 1.585 1.00 0.00 H new ATOM 0 HE3 MET A 73 -12.491 1.997 1.469 1.00 0.00 H new ATOM 975 N PRO B 77 5.298 6.432 10.651 1.00 0.00 N ATOM 976 CA PRO B 77 5.453 5.011 10.319 1.00 0.00 C ATOM 977 C PRO B 77 6.694 4.738 9.476 1.00 0.00 C ATOM 978 O PRO B 77 6.901 5.364 8.438 1.00 0.00 O ATOM 979 CB PRO B 77 4.189 4.698 9.520 1.00 0.00 C ATOM 980 CG PRO B 77 3.178 5.664 10.028 1.00 0.00 C ATOM 981 CD PRO B 77 3.939 6.923 10.342 1.00 0.00 C ATOM 0 HA PRO B 77 5.578 4.397 11.211 1.00 0.00 H new ATOM 0 HB2 PRO B 77 4.355 4.823 8.450 1.00 0.00 H new ATOM 0 HB3 PRO B 77 3.867 3.668 9.674 1.00 0.00 H new ATOM 0 HG2 PRO B 77 2.405 5.850 9.282 1.00 0.00 H new ATOM 0 HG3 PRO B 77 2.678 5.277 10.916 1.00 0.00 H new ATOM 0 HD2 PRO B 77 3.943 7.612 9.497 1.00 0.00 H new ATOM 0 HD3 PRO B 77 3.503 7.457 11.186 1.00 0.00 H new ATOM 989 N SER B 78 7.514 3.797 9.929 1.00 0.00 N ATOM 990 CA SER B 78 8.733 3.439 9.214 1.00 0.00 C ATOM 991 C SER B 78 8.593 2.078 8.550 1.00 0.00 C ATOM 992 O SER B 78 8.349 1.070 9.215 1.00 0.00 O ATOM 993 CB SER B 78 9.932 3.441 10.164 1.00 0.00 C ATOM 994 OG SER B 78 11.153 3.403 9.444 1.00 0.00 O ATOM 0 H SER B 78 7.357 3.269 10.787 1.00 0.00 H new ATOM 0 HA SER B 78 8.899 4.185 8.437 1.00 0.00 H new ATOM 0 HB2 SER B 78 9.903 4.333 10.790 1.00 0.00 H new ATOM 0 HB3 SER B 78 9.873 2.581 10.831 1.00 0.00 H new ATOM 0 HG SER B 78 11.904 3.407 10.073 1.00 0.00 H new ATOM 1000 N ILE B 79 8.745 2.060 7.232 1.00 0.00 N ATOM 1001 CA ILE B 79 8.632 0.830 6.467 1.00 0.00 C ATOM 1002 C ILE B 79 9.963 0.464 5.813 1.00 0.00 C ATOM 1003 O ILE B 79 10.658 1.320 5.265 1.00 0.00 O ATOM 1004 CB ILE B 79 7.519 0.948 5.399 1.00 0.00 C ATOM 1005 CG1 ILE B 79 6.351 0.023 5.761 1.00 0.00 C ATOM 1006 CG2 ILE B 79 8.043 0.644 4.000 1.00 0.00 C ATOM 1007 CD1 ILE B 79 6.593 -1.439 5.441 1.00 0.00 C ATOM 0 H ILE B 79 8.947 2.888 6.671 1.00 0.00 H new ATOM 0 HA ILE B 79 8.364 0.032 7.159 1.00 0.00 H new ATOM 0 HB ILE B 79 7.165 1.979 5.389 1.00 0.00 H new ATOM 0 HG12 ILE B 79 6.142 0.120 6.826 1.00 0.00 H new ATOM 0 HG13 ILE B 79 5.460 0.357 5.230 1.00 0.00 H new ATOM 0 HG21 ILE B 79 7.231 0.738 3.279 1.00 0.00 H new ATOM 0 HG22 ILE B 79 8.836 1.348 3.747 1.00 0.00 H new ATOM 0 HG23 ILE B 79 8.438 -0.372 3.972 1.00 0.00 H new ATOM 0 HD11 ILE B 79 5.719 -2.024 5.728 1.00 0.00 H new ATOM 0 HD12 ILE B 79 6.771 -1.553 4.372 1.00 0.00 H new ATOM 0 HD13 ILE B 79 7.464 -1.793 5.993 1.00 0.00 H new ATOM 1019 N ASP B 80 10.306 -0.816 5.881 1.00 0.00 N ATOM 1020 CA ASP B 80 11.548 -1.313 5.301 1.00 0.00 C ATOM 1021 C ASP B 80 11.276 -2.094 4.019 1.00 0.00 C ATOM 1022 O ASP B 80 10.440 -2.996 3.996 1.00 0.00 O ATOM 1023 CB ASP B 80 12.287 -2.200 6.306 1.00 0.00 C ATOM 1024 CG ASP B 80 12.196 -1.668 7.723 1.00 0.00 C ATOM 1025 OD1 ASP B 80 12.794 -0.607 7.996 1.00 0.00 O ATOM 1026 OD2 ASP B 80 11.527 -2.313 8.556 1.00 0.00 O ATOM 0 H ASP B 80 9.739 -1.532 6.334 1.00 0.00 H new ATOM 0 HA ASP B 80 12.174 -0.455 5.056 1.00 0.00 H new ATOM 0 HB2 ASP B 80 11.872 -3.207 6.272 1.00 0.00 H new ATOM 0 HB3 ASP B 80 13.335 -2.277 6.016 1.00 0.00 H new ATOM 1031 N ARG B 81 11.989 -1.739 2.954 1.00 0.00 N ATOM 1032 CA ARG B 81 11.829 -2.402 1.665 1.00 0.00 C ATOM 1033 C ARG B 81 12.436 -3.802 1.689 1.00 0.00 C ATOM 1034 O ARG B 81 12.318 -4.557 0.724 1.00 0.00 O ATOM 1035 CB ARG B 81 12.475 -1.571 0.555 1.00 0.00 C ATOM 1036 CG ARG B 81 11.950 -0.145 0.482 1.00 0.00 C ATOM 1037 CD ARG B 81 11.748 0.301 -0.957 1.00 0.00 C ATOM 1038 NE ARG B 81 12.838 -0.136 -1.826 1.00 0.00 N ATOM 1039 CZ ARG B 81 14.059 0.389 -1.798 1.00 0.00 C ATOM 1040 NH1 ARG B 81 14.347 1.364 -0.946 1.00 0.00 N ATOM 1041 NH2 ARG B 81 14.995 -0.062 -2.622 1.00 0.00 N ATOM 0 H ARG B 81 12.685 -0.993 2.959 1.00 0.00 H new ATOM 0 HA ARG B 81 10.761 -2.494 1.465 1.00 0.00 H new ATOM 0 HB2 ARG B 81 13.553 -1.545 0.712 1.00 0.00 H new ATOM 0 HB3 ARG B 81 12.304 -2.062 -0.403 1.00 0.00 H new ATOM 0 HG2 ARG B 81 11.005 -0.076 1.021 1.00 0.00 H new ATOM 0 HG3 ARG B 81 12.650 0.527 0.978 1.00 0.00 H new ATOM 0 HD2 ARG B 81 10.805 -0.098 -1.331 1.00 0.00 H new ATOM 0 HD3 ARG B 81 11.671 1.388 -0.992 1.00 0.00 H new ATOM 0 HE ARG B 81 12.652 -0.886 -2.492 1.00 0.00 H new ATOM 0 HH11 ARG B 81 13.631 1.713 -0.310 1.00 0.00 H new ATOM 0 HH12 ARG B 81 15.285 1.764 -0.927 1.00 0.00 H new ATOM 0 HH21 ARG B 81 14.778 -0.812 -3.278 1.00 0.00 H new ATOM 0 HH22 ARG B 81 15.932 0.341 -2.600 1.00 0.00 H new ATOM 1055 N SER B 82 13.081 -4.144 2.799 1.00 0.00 N ATOM 1056 CA SER B 82 13.700 -5.456 2.950 1.00 0.00 C ATOM 1057 C SER B 82 12.659 -6.485 3.369 1.00 0.00 C ATOM 1058 O SER B 82 12.981 -7.648 3.618 1.00 0.00 O ATOM 1059 CB SER B 82 14.828 -5.399 3.983 1.00 0.00 C ATOM 1060 OG SER B 82 15.955 -6.141 3.550 1.00 0.00 O ATOM 0 H SER B 82 13.189 -3.531 3.607 1.00 0.00 H new ATOM 0 HA SER B 82 14.121 -5.752 1.989 1.00 0.00 H new ATOM 0 HB2 SER B 82 15.116 -4.362 4.155 1.00 0.00 H new ATOM 0 HB3 SER B 82 14.473 -5.793 4.935 1.00 0.00 H new ATOM 0 HG SER B 82 16.662 -6.087 4.227 1.00 0.00 H new ATOM 1066 N THR B 83 11.409 -6.042 3.447 1.00 0.00 N ATOM 1067 CA THR B 83 10.308 -6.911 3.839 1.00 0.00 C ATOM 1068 C THR B 83 9.266 -7.013 2.729 1.00 0.00 C ATOM 1069 O THR B 83 8.125 -7.406 2.968 1.00 0.00 O ATOM 1070 CB THR B 83 9.625 -6.399 5.119 1.00 0.00 C ATOM 1071 OG1 THR B 83 8.742 -5.320 4.801 1.00 0.00 O ATOM 1072 CG2 THR B 83 10.653 -5.934 6.137 1.00 0.00 C ATOM 0 H THR B 83 11.133 -5.081 3.243 1.00 0.00 H new ATOM 0 HA THR B 83 10.732 -7.897 4.027 1.00 0.00 H new ATOM 0 HB THR B 83 9.057 -7.221 5.553 1.00 0.00 H new ATOM 0 HG1 THR B 83 9.266 -4.518 4.595 1.00 0.00 H new ATOM 0 HG21 THR B 83 10.143 -5.577 7.032 1.00 0.00 H new ATOM 0 HG22 THR B 83 11.307 -6.765 6.399 1.00 0.00 H new ATOM 0 HG23 THR B 83 11.247 -5.125 5.711 1.00 0.00 H new ATOM 1080 N LYS B 84 9.672 -6.653 1.516 1.00 0.00 N ATOM 1081 CA LYS B 84 8.787 -6.700 0.362 1.00 0.00 C ATOM 1082 C LYS B 84 8.235 -8.112 0.154 1.00 0.00 C ATOM 1083 O LYS B 84 8.828 -9.086 0.620 1.00 0.00 O ATOM 1084 CB LYS B 84 9.552 -6.238 -0.878 1.00 0.00 C ATOM 1085 CG LYS B 84 9.219 -4.819 -1.309 1.00 0.00 C ATOM 1086 CD LYS B 84 10.467 -4.040 -1.703 1.00 0.00 C ATOM 1087 CE LYS B 84 11.207 -4.701 -2.857 1.00 0.00 C ATOM 1088 NZ LYS B 84 10.275 -5.180 -3.914 1.00 0.00 N ATOM 0 H LYS B 84 10.615 -6.324 1.308 1.00 0.00 H new ATOM 0 HA LYS B 84 7.941 -6.035 0.536 1.00 0.00 H new ATOM 0 HB2 LYS B 84 10.622 -6.306 -0.680 1.00 0.00 H new ATOM 0 HB3 LYS B 84 9.336 -6.918 -1.702 1.00 0.00 H new ATOM 0 HG2 LYS B 84 8.528 -4.848 -2.151 1.00 0.00 H new ATOM 0 HG3 LYS B 84 8.710 -4.302 -0.496 1.00 0.00 H new ATOM 0 HD2 LYS B 84 10.188 -3.025 -1.985 1.00 0.00 H new ATOM 0 HD3 LYS B 84 11.132 -3.961 -0.843 1.00 0.00 H new ATOM 0 HE2 LYS B 84 11.912 -3.991 -3.290 1.00 0.00 H new ATOM 0 HE3 LYS B 84 11.791 -5.541 -2.480 1.00 0.00 H new ATOM 0 HZ1 LYS B 84 10.815 -5.420 -4.770 1.00 0.00 H new ATOM 0 HZ2 LYS B 84 9.770 -6.024 -3.575 1.00 0.00 H new ATOM 0 HZ3 LYS B 84 9.588 -4.431 -4.137 1.00 0.00 H new ATOM 1102 N PRO B 85 7.086 -8.245 -0.544 1.00 0.00 N ATOM 1103 CA PRO B 85 6.459 -9.546 -0.802 1.00 0.00 C ATOM 1104 C PRO B 85 7.466 -10.616 -1.211 1.00 0.00 C ATOM 1105 O PRO B 85 8.045 -10.555 -2.296 1.00 0.00 O ATOM 1106 CB PRO B 85 5.505 -9.244 -1.953 1.00 0.00 C ATOM 1107 CG PRO B 85 5.111 -7.823 -1.750 1.00 0.00 C ATOM 1108 CD PRO B 85 6.304 -7.137 -1.132 1.00 0.00 C ATOM 0 HA PRO B 85 5.974 -9.948 0.087 1.00 0.00 H new ATOM 0 HB2 PRO B 85 5.991 -9.387 -2.918 1.00 0.00 H new ATOM 0 HB3 PRO B 85 4.637 -9.903 -1.932 1.00 0.00 H new ATOM 0 HG2 PRO B 85 4.841 -7.355 -2.697 1.00 0.00 H new ATOM 0 HG3 PRO B 85 4.240 -7.750 -1.099 1.00 0.00 H new ATOM 0 HD2 PRO B 85 6.882 -6.592 -1.878 1.00 0.00 H new ATOM 0 HD3 PRO B 85 6.001 -6.415 -0.373 1.00 0.00 H new ATOM 1116 N ALA B 86 7.668 -11.597 -0.335 1.00 0.00 N ATOM 1117 CA ALA B 86 8.602 -12.683 -0.602 1.00 0.00 C ATOM 1118 C ALA B 86 7.988 -14.033 -0.248 1.00 0.00 C ATOM 1119 O ALA B 86 8.066 -14.957 -1.085 1.00 0.00 O ATOM 1120 CB ALA B 86 9.895 -12.471 0.171 1.00 0.00 C ATOM 1121 OXT ALA B 86 7.437 -14.157 0.866 1.00 0.00 O ATOM 0 H ALA B 86 7.196 -11.660 0.567 1.00 0.00 H new ATOM 0 HA ALA B 86 8.826 -12.682 -1.669 1.00 0.00 H new ATOM 0 HB1 ALA B 86 10.583 -13.290 -0.039 1.00 0.00 H new ATOM 0 HB2 ALA B 86 10.350 -11.528 -0.133 1.00 0.00 H new ATOM 0 HB3 ALA B 86 9.680 -12.442 1.239 1.00 0.00 H new