USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 562 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -104:sc= 0.416 (180deg=-0.631) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0183 USER MOD Single : A 23 ASN : amide:sc= -0.235 X(o=-0.23,f=-0.026) USER MOD Single : A 28 SER OG : rot -53:sc= 1.11 USER MOD Single : A 30 THR OG1 : rot -56:sc= 0.884 USER MOD Single : A 37 GLN : amide:sc= -2.43 K(o=-2.4,f=-4.9!) USER MOD Single : A 45 GLN : amide:sc=-0.00753 X(o=-0.0075,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -55:sc= 0.762 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -69:sc= 0.93 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.183 -11.030 24.474 1.00 0.00 N ATOM 2 CA MET A 1 -3.710 -12.161 23.693 1.00 0.00 C ATOM 3 C MET A 1 -4.647 -13.361 23.842 1.00 0.00 C ATOM 4 O MET A 1 -5.180 -13.606 24.924 1.00 0.00 O ATOM 5 CB MET A 1 -2.305 -12.550 24.157 1.00 0.00 C ATOM 6 CG MET A 1 -2.254 -12.706 25.678 1.00 0.00 C ATOM 7 SD MET A 1 -1.506 -11.263 26.416 1.00 0.00 S ATOM 8 CE MET A 1 -1.996 -11.495 28.117 1.00 0.00 C ATOM 0 H1 MET A 1 -4.617 -10.328 23.841 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.888 -11.356 25.165 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.382 -10.595 24.975 1.00 0.00 H new ATOM 0 HA MET A 1 -3.688 -11.869 22.643 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.007 -13.485 23.682 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.590 -11.790 23.842 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.261 -12.845 26.071 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.683 -13.596 25.941 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.609 -10.675 28.722 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.084 -11.513 28.183 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.595 -12.439 28.486 1.00 0.00 H new ATOM 18 N SER A 2 -4.820 -14.076 22.741 1.00 0.00 N ATOM 19 CA SER A 2 -5.684 -15.245 22.735 1.00 0.00 C ATOM 20 C SER A 2 -5.631 -15.928 21.368 1.00 0.00 C ATOM 21 O SER A 2 -4.624 -15.845 20.667 1.00 0.00 O ATOM 22 CB SER A 2 -7.125 -14.866 23.084 1.00 0.00 C ATOM 23 OG SER A 2 -7.798 -15.911 23.781 1.00 0.00 O ATOM 0 H SER A 2 -4.377 -13.869 21.846 1.00 0.00 H new ATOM 0 HA SER A 2 -5.325 -15.940 23.495 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.125 -13.964 23.696 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.670 -14.631 22.170 1.00 0.00 H new ATOM 0 HG SER A 2 -8.714 -15.630 23.987 1.00 0.00 H new ATOM 29 N LEU A 3 -6.729 -16.589 21.029 1.00 0.00 N ATOM 30 CA LEU A 3 -6.820 -17.287 19.758 1.00 0.00 C ATOM 31 C LEU A 3 -7.752 -16.514 18.822 1.00 0.00 C ATOM 32 O LEU A 3 -7.458 -16.357 17.638 1.00 0.00 O ATOM 33 CB LEU A 3 -7.236 -18.743 19.974 1.00 0.00 C ATOM 34 CG LEU A 3 -6.179 -19.657 20.598 1.00 0.00 C ATOM 35 CD1 LEU A 3 -6.782 -20.507 21.719 1.00 0.00 C ATOM 36 CD2 LEU A 3 -5.498 -20.516 19.531 1.00 0.00 C ATOM 0 H LEU A 3 -7.563 -16.656 21.613 1.00 0.00 H new ATOM 0 HA LEU A 3 -5.843 -17.327 19.275 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -8.121 -18.757 20.610 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.529 -19.163 19.012 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.408 -19.031 21.047 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -6.010 -21.147 22.145 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -7.182 -19.855 22.495 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -7.584 -21.125 21.316 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -4.751 -21.156 20.001 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.244 -21.135 19.031 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -5.013 -19.870 18.799 1.00 0.00 H new ATOM 48 N GLY A 4 -8.856 -16.051 19.389 1.00 0.00 N ATOM 49 CA GLY A 4 -9.833 -15.298 18.621 1.00 0.00 C ATOM 50 C GLY A 4 -9.233 -13.988 18.105 1.00 0.00 C ATOM 51 O GLY A 4 -9.383 -13.652 16.932 1.00 0.00 O ATOM 0 H GLY A 4 -9.096 -16.183 20.372 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.181 -15.898 17.781 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.703 -15.084 19.242 1.00 0.00 H new ATOM 55 N VAL A 5 -8.567 -13.284 19.009 1.00 0.00 N ATOM 56 CA VAL A 5 -7.944 -12.018 18.660 1.00 0.00 C ATOM 57 C VAL A 5 -6.890 -12.255 17.577 1.00 0.00 C ATOM 58 O VAL A 5 -6.633 -11.378 16.753 1.00 0.00 O ATOM 59 CB VAL A 5 -7.374 -11.352 19.914 1.00 0.00 C ATOM 60 CG1 VAL A 5 -6.087 -12.046 20.366 1.00 0.00 C ATOM 61 CG2 VAL A 5 -7.140 -9.858 19.684 1.00 0.00 C ATOM 0 H VAL A 5 -8.445 -13.566 19.982 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.682 -11.329 18.250 1.00 0.00 H new ATOM 0 HB VAL A 5 -8.109 -11.456 20.712 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.702 -11.553 21.259 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.297 -13.092 20.590 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -5.344 -11.988 19.571 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -6.735 -9.409 20.591 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -6.434 -9.722 18.865 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -8.085 -9.376 19.432 1.00 0.00 H new ATOM 71 N LEU A 6 -6.307 -13.444 17.613 1.00 0.00 N ATOM 72 CA LEU A 6 -5.286 -13.807 16.645 1.00 0.00 C ATOM 73 C LEU A 6 -5.886 -13.767 15.238 1.00 0.00 C ATOM 74 O LEU A 6 -5.339 -13.125 14.344 1.00 0.00 O ATOM 75 CB LEU A 6 -4.658 -15.154 17.008 1.00 0.00 C ATOM 76 CG LEU A 6 -3.431 -15.564 16.191 1.00 0.00 C ATOM 77 CD1 LEU A 6 -2.970 -16.974 16.565 1.00 0.00 C ATOM 78 CD2 LEU A 6 -3.701 -15.428 14.691 1.00 0.00 C ATOM 0 H LEU A 6 -6.522 -14.169 18.298 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.469 -13.085 16.664 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.377 -15.129 18.061 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.418 -15.928 16.899 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.615 -14.883 16.434 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.097 -17.241 15.970 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.711 -17.003 17.623 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.774 -17.684 16.368 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.813 -15.726 14.133 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.537 -16.070 14.412 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.946 -14.392 14.458 1.00 0.00 H new ATOM 90 N ALA A 7 -7.004 -14.463 15.087 1.00 0.00 N ATOM 91 CA ALA A 7 -7.685 -14.515 13.804 1.00 0.00 C ATOM 92 C ALA A 7 -8.023 -13.093 13.353 1.00 0.00 C ATOM 93 O ALA A 7 -8.048 -12.807 12.157 1.00 0.00 O ATOM 94 CB ALA A 7 -8.927 -15.401 13.921 1.00 0.00 C ATOM 0 H ALA A 7 -7.455 -14.995 15.831 1.00 0.00 H new ATOM 0 HA ALA A 7 -7.040 -14.957 13.044 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.438 -15.440 12.959 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.630 -16.408 14.215 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -9.600 -14.987 14.672 1.00 0.00 H new ATOM 100 N ALA A 8 -8.275 -12.239 14.334 1.00 0.00 N ATOM 101 CA ALA A 8 -8.610 -10.853 14.053 1.00 0.00 C ATOM 102 C ALA A 8 -7.378 -10.137 13.497 1.00 0.00 C ATOM 103 O ALA A 8 -7.502 -9.207 12.702 1.00 0.00 O ATOM 104 CB ALA A 8 -9.147 -10.190 15.323 1.00 0.00 C ATOM 0 H ALA A 8 -8.254 -12.480 15.325 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.394 -10.793 13.298 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.398 -9.150 15.112 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.039 -10.718 15.660 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.387 -10.229 16.103 1.00 0.00 H new ATOM 110 N ALA A 9 -6.216 -10.599 13.936 1.00 0.00 N ATOM 111 CA ALA A 9 -4.963 -10.014 13.492 1.00 0.00 C ATOM 112 C ALA A 9 -4.693 -10.434 12.046 1.00 0.00 C ATOM 113 O ALA A 9 -4.022 -9.720 11.303 1.00 0.00 O ATOM 114 CB ALA A 9 -3.839 -10.434 14.441 1.00 0.00 C ATOM 0 H ALA A 9 -6.117 -11.372 14.594 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.018 -8.926 13.514 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.899 -9.995 14.108 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.065 -10.086 15.449 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.752 -11.520 14.443 1.00 0.00 H new ATOM 120 N ILE A 10 -5.229 -11.592 11.690 1.00 0.00 N ATOM 121 CA ILE A 10 -5.055 -12.117 10.346 1.00 0.00 C ATOM 122 C ILE A 10 -6.019 -11.404 9.396 1.00 0.00 C ATOM 123 O ILE A 10 -5.604 -10.879 8.364 1.00 0.00 O ATOM 124 CB ILE A 10 -5.200 -13.640 10.342 1.00 0.00 C ATOM 125 CG1 ILE A 10 -3.840 -14.321 10.505 1.00 0.00 C ATOM 126 CG2 ILE A 10 -5.934 -14.117 9.087 1.00 0.00 C ATOM 127 CD1 ILE A 10 -3.717 -14.978 11.882 1.00 0.00 C ATOM 0 H ILE A 10 -5.785 -12.182 12.309 1.00 0.00 H new ATOM 0 HA ILE A 10 -4.046 -11.916 9.986 1.00 0.00 H new ATOM 0 HB ILE A 10 -5.808 -13.928 11.200 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.710 -15.073 9.727 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -3.044 -13.587 10.376 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -6.024 -15.203 9.109 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -6.928 -13.671 9.055 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -5.374 -13.817 8.202 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.741 -15.455 11.972 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.823 -14.220 12.658 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.499 -15.728 11.998 1.00 0.00 H new ATOM 139 N ALA A 11 -7.287 -11.408 9.779 1.00 0.00 N ATOM 140 CA ALA A 11 -8.314 -10.769 8.974 1.00 0.00 C ATOM 141 C ALA A 11 -7.971 -9.288 8.800 1.00 0.00 C ATOM 142 O ALA A 11 -8.426 -8.649 7.852 1.00 0.00 O ATOM 143 CB ALA A 11 -9.681 -10.977 9.630 1.00 0.00 C ATOM 0 H ALA A 11 -7.627 -11.844 10.636 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.357 -11.217 7.981 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.451 -10.498 9.026 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.890 -12.044 9.704 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.676 -10.538 10.628 1.00 0.00 H new ATOM 149 N VAL A 12 -7.171 -8.786 9.729 1.00 0.00 N ATOM 150 CA VAL A 12 -6.761 -7.392 9.689 1.00 0.00 C ATOM 151 C VAL A 12 -5.625 -7.227 8.678 1.00 0.00 C ATOM 152 O VAL A 12 -5.578 -6.239 7.947 1.00 0.00 O ATOM 153 CB VAL A 12 -6.384 -6.918 11.095 1.00 0.00 C ATOM 154 CG1 VAL A 12 -5.278 -5.862 11.038 1.00 0.00 C ATOM 155 CG2 VAL A 12 -7.610 -6.389 11.842 1.00 0.00 C ATOM 0 H VAL A 12 -6.796 -9.319 10.514 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.585 -6.761 9.357 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.000 -7.776 11.647 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.028 -5.542 12.050 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.394 -6.287 10.563 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.623 -5.004 10.461 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.315 -6.059 12.838 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.036 -5.550 11.293 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.354 -7.181 11.928 1.00 0.00 H new ATOM 165 N GLY A 13 -4.737 -8.210 8.668 1.00 0.00 N ATOM 166 CA GLY A 13 -3.605 -8.186 7.758 1.00 0.00 C ATOM 167 C GLY A 13 -4.057 -8.411 6.314 1.00 0.00 C ATOM 168 O GLY A 13 -3.467 -7.864 5.383 1.00 0.00 O ATOM 0 H GLY A 13 -4.779 -9.028 9.276 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.091 -7.228 7.837 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.889 -8.957 8.043 1.00 0.00 H new ATOM 172 N LEU A 14 -5.099 -9.216 6.172 1.00 0.00 N ATOM 173 CA LEU A 14 -5.637 -9.520 4.857 1.00 0.00 C ATOM 174 C LEU A 14 -6.479 -8.338 4.370 1.00 0.00 C ATOM 175 O LEU A 14 -6.429 -7.979 3.194 1.00 0.00 O ATOM 176 CB LEU A 14 -6.398 -10.847 4.882 1.00 0.00 C ATOM 177 CG LEU A 14 -7.650 -10.920 4.006 1.00 0.00 C ATOM 178 CD1 LEU A 14 -7.278 -11.026 2.526 1.00 0.00 C ATOM 179 CD2 LEU A 14 -8.565 -12.063 4.450 1.00 0.00 C ATOM 0 H LEU A 14 -5.586 -9.668 6.946 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.829 -9.656 4.138 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.716 -11.640 4.573 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.687 -11.058 5.912 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.209 -9.993 4.132 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -8.186 -11.076 1.925 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.697 -10.151 2.233 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.685 -11.926 2.363 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.447 -12.092 3.811 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -8.029 -13.009 4.372 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.871 -11.903 5.484 1.00 0.00 H new ATOM 191 N GLY A 15 -7.232 -7.767 5.298 1.00 0.00 N ATOM 192 CA GLY A 15 -8.082 -6.633 4.978 1.00 0.00 C ATOM 193 C GLY A 15 -7.247 -5.382 4.698 1.00 0.00 C ATOM 194 O GLY A 15 -7.539 -4.631 3.769 1.00 0.00 O ATOM 0 H GLY A 15 -7.271 -8.068 6.272 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.695 -6.868 4.108 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.765 -6.441 5.806 1.00 0.00 H new ATOM 198 N ALA A 16 -6.224 -5.197 5.520 1.00 0.00 N ATOM 199 CA ALA A 16 -5.344 -4.050 5.373 1.00 0.00 C ATOM 200 C ALA A 16 -4.422 -4.271 4.173 1.00 0.00 C ATOM 201 O ALA A 16 -3.844 -3.321 3.646 1.00 0.00 O ATOM 202 CB ALA A 16 -4.568 -3.832 6.673 1.00 0.00 C ATOM 0 H ALA A 16 -5.985 -5.822 6.290 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.921 -3.145 5.183 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.908 -2.972 6.563 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.268 -3.650 7.488 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.974 -4.719 6.895 1.00 0.00 H new ATOM 208 N LEU A 17 -4.312 -5.530 3.775 1.00 0.00 N ATOM 209 CA LEU A 17 -3.469 -5.887 2.647 1.00 0.00 C ATOM 210 C LEU A 17 -4.069 -5.307 1.364 1.00 0.00 C ATOM 211 O LEU A 17 -3.420 -4.526 0.669 1.00 0.00 O ATOM 212 CB LEU A 17 -3.255 -7.401 2.596 1.00 0.00 C ATOM 213 CG LEU A 17 -2.946 -7.989 1.218 1.00 0.00 C ATOM 214 CD1 LEU A 17 -1.626 -8.762 1.235 1.00 0.00 C ATOM 215 CD2 LEU A 17 -4.107 -8.850 0.715 1.00 0.00 C ATOM 0 H LEU A 17 -4.793 -6.315 4.214 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.476 -5.452 2.760 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.436 -7.655 3.269 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.150 -7.888 2.984 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.828 -7.165 0.515 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.430 -9.170 0.243 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.815 -8.091 1.518 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.691 -9.577 1.956 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.861 -9.255 -0.266 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.281 -9.669 1.413 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.007 -8.239 0.640 1.00 0.00 H new ATOM 227 N GLY A 18 -5.300 -5.712 1.089 1.00 0.00 N ATOM 228 CA GLY A 18 -5.994 -5.242 -0.098 1.00 0.00 C ATOM 229 C GLY A 18 -6.486 -3.805 0.088 1.00 0.00 C ATOM 230 O GLY A 18 -6.488 -3.019 -0.858 1.00 0.00 O ATOM 0 H GLY A 18 -5.835 -6.360 1.667 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.327 -5.293 -0.958 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.840 -5.895 -0.312 1.00 0.00 H new ATOM 234 N ALA A 19 -6.893 -3.506 1.313 1.00 0.00 N ATOM 235 CA ALA A 19 -7.386 -2.178 1.634 1.00 0.00 C ATOM 236 C ALA A 19 -6.254 -1.163 1.463 1.00 0.00 C ATOM 237 O ALA A 19 -6.462 -0.083 0.911 1.00 0.00 O ATOM 238 CB ALA A 19 -7.962 -2.176 3.052 1.00 0.00 C ATOM 0 H ALA A 19 -6.891 -4.161 2.095 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.190 -1.893 0.955 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -8.332 -1.179 3.293 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.782 -2.892 3.113 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.183 -2.455 3.762 1.00 0.00 H new ATOM 244 N GLY A 20 -5.082 -1.545 1.948 1.00 0.00 N ATOM 245 CA GLY A 20 -3.917 -0.681 1.856 1.00 0.00 C ATOM 246 C GLY A 20 -3.604 -0.336 0.398 1.00 0.00 C ATOM 247 O GLY A 20 -3.485 0.837 0.046 1.00 0.00 O ATOM 0 H GLY A 20 -4.914 -2.441 2.406 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.093 0.235 2.420 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.057 -1.174 2.309 1.00 0.00 H new ATOM 251 N ILE A 21 -3.481 -1.378 -0.410 1.00 0.00 N ATOM 252 CA ILE A 21 -3.184 -1.200 -1.821 1.00 0.00 C ATOM 253 C ILE A 21 -4.167 -0.192 -2.421 1.00 0.00 C ATOM 254 O ILE A 21 -3.830 0.525 -3.362 1.00 0.00 O ATOM 255 CB ILE A 21 -3.172 -2.550 -2.541 1.00 0.00 C ATOM 256 CG1 ILE A 21 -1.918 -2.700 -3.404 1.00 0.00 C ATOM 257 CG2 ILE A 21 -4.454 -2.750 -3.352 1.00 0.00 C ATOM 258 CD1 ILE A 21 -2.149 -2.139 -4.809 1.00 0.00 C ATOM 0 H ILE A 21 -3.582 -2.349 -0.115 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.184 -0.787 -1.950 1.00 0.00 H new ATOM 0 HB ILE A 21 -3.141 -3.338 -1.789 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.084 -2.180 -2.933 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -1.641 -3.752 -3.470 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -4.420 -3.717 -3.854 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.315 -2.717 -2.685 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -4.541 -1.958 -4.096 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.242 -2.258 -5.402 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -2.968 -2.678 -5.286 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.402 -1.081 -4.741 1.00 0.00 H new ATOM 270 N GLY A 22 -5.363 -0.169 -1.851 1.00 0.00 N ATOM 271 CA GLY A 22 -6.397 0.740 -2.318 1.00 0.00 C ATOM 272 C GLY A 22 -6.096 2.178 -1.891 1.00 0.00 C ATOM 273 O GLY A 22 -6.428 3.123 -2.605 1.00 0.00 O ATOM 0 H GLY A 22 -5.639 -0.765 -1.071 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.469 0.687 -3.404 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.364 0.433 -1.919 1.00 0.00 H new ATOM 277 N ASN A 23 -5.473 2.298 -0.728 1.00 0.00 N ATOM 278 CA ASN A 23 -5.124 3.605 -0.197 1.00 0.00 C ATOM 279 C ASN A 23 -3.886 4.133 -0.925 1.00 0.00 C ATOM 280 O ASN A 23 -3.705 5.343 -1.053 1.00 0.00 O ATOM 281 CB ASN A 23 -4.797 3.524 1.295 1.00 0.00 C ATOM 282 CG ASN A 23 -4.967 4.887 1.969 1.00 0.00 C ATOM 283 OD1 ASN A 23 -4.046 5.444 2.543 1.00 0.00 O ATOM 284 ND2 ASN A 23 -6.193 5.392 1.866 1.00 0.00 N ATOM 0 H ASN A 23 -5.201 1.512 -0.138 1.00 0.00 H new ATOM 0 HA ASN A 23 -5.977 4.267 -0.343 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -5.449 2.794 1.774 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.773 3.174 1.428 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -6.408 6.298 2.282 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -6.918 4.873 1.371 1.00 0.00 H new ATOM 291 N GLY A 24 -3.065 3.199 -1.382 1.00 0.00 N ATOM 292 CA GLY A 24 -1.849 3.554 -2.094 1.00 0.00 C ATOM 293 C GLY A 24 -2.160 3.995 -3.525 1.00 0.00 C ATOM 294 O GLY A 24 -1.632 5.000 -3.998 1.00 0.00 O ATOM 0 H GLY A 24 -3.218 2.196 -1.273 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.336 4.357 -1.566 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.172 2.700 -2.112 1.00 0.00 H new ATOM 298 N LEU A 25 -3.017 3.221 -4.176 1.00 0.00 N ATOM 299 CA LEU A 25 -3.404 3.519 -5.544 1.00 0.00 C ATOM 300 C LEU A 25 -4.174 4.841 -5.575 1.00 0.00 C ATOM 301 O LEU A 25 -4.066 5.604 -6.534 1.00 0.00 O ATOM 302 CB LEU A 25 -4.175 2.344 -6.150 1.00 0.00 C ATOM 303 CG LEU A 25 -5.414 1.886 -5.378 1.00 0.00 C ATOM 304 CD1 LEU A 25 -6.616 2.780 -5.690 1.00 0.00 C ATOM 305 CD2 LEU A 25 -5.713 0.409 -5.648 1.00 0.00 C ATOM 0 H LEU A 25 -3.454 2.388 -3.781 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.521 3.649 -6.170 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.481 2.618 -7.160 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.495 1.497 -6.242 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.208 1.984 -4.312 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.483 2.433 -5.128 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.388 3.808 -5.407 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.834 2.737 -6.757 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.598 0.109 -5.087 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.891 0.263 -6.713 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.863 -0.197 -5.336 1.00 0.00 H new ATOM 317 N ILE A 26 -4.934 5.072 -4.515 1.00 0.00 N ATOM 318 CA ILE A 26 -5.721 6.289 -4.408 1.00 0.00 C ATOM 319 C ILE A 26 -4.782 7.496 -4.370 1.00 0.00 C ATOM 320 O ILE A 26 -5.035 8.504 -5.028 1.00 0.00 O ATOM 321 CB ILE A 26 -6.670 6.210 -3.211 1.00 0.00 C ATOM 322 CG1 ILE A 26 -8.001 5.566 -3.608 1.00 0.00 C ATOM 323 CG2 ILE A 26 -6.868 7.587 -2.576 1.00 0.00 C ATOM 324 CD1 ILE A 26 -8.839 6.520 -4.461 1.00 0.00 C ATOM 0 H ILE A 26 -5.022 4.437 -3.722 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.359 6.408 -5.283 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.214 5.570 -2.456 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -7.813 4.647 -4.162 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -8.557 5.290 -2.712 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.547 7.502 -1.728 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.907 7.972 -2.235 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.291 8.270 -3.313 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.779 6.038 -4.729 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.046 7.428 -3.895 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -8.290 6.775 -5.368 1.00 0.00 H new ATOM 336 N VAL A 27 -3.719 7.354 -3.593 1.00 0.00 N ATOM 337 CA VAL A 27 -2.741 8.421 -3.460 1.00 0.00 C ATOM 338 C VAL A 27 -1.969 8.565 -4.773 1.00 0.00 C ATOM 339 O VAL A 27 -1.696 9.679 -5.218 1.00 0.00 O ATOM 340 CB VAL A 27 -1.833 8.152 -2.259 1.00 0.00 C ATOM 341 CG1 VAL A 27 -0.785 9.256 -2.106 1.00 0.00 C ATOM 342 CG2 VAL A 27 -2.652 7.993 -0.977 1.00 0.00 C ATOM 0 H VAL A 27 -3.513 6.516 -3.049 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.237 9.372 -3.268 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.308 7.214 -2.440 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.153 9.040 -1.245 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.171 9.302 -3.005 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.284 10.214 -1.959 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.982 7.803 -0.139 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.217 8.907 -0.790 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.342 7.156 -1.087 1.00 0.00 H new ATOM 352 N SER A 28 -1.637 7.423 -5.356 1.00 0.00 N ATOM 353 CA SER A 28 -0.902 7.408 -6.609 1.00 0.00 C ATOM 354 C SER A 28 -1.710 8.113 -7.700 1.00 0.00 C ATOM 355 O SER A 28 -1.142 8.660 -8.644 1.00 0.00 O ATOM 356 CB SER A 28 -0.570 5.976 -7.036 1.00 0.00 C ATOM 357 OG SER A 28 -1.601 5.407 -7.840 1.00 0.00 O ATOM 0 H SER A 28 -1.864 6.501 -4.984 1.00 0.00 H new ATOM 0 HA SER A 28 0.037 7.941 -6.460 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.368 5.971 -7.592 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.419 5.359 -6.150 1.00 0.00 H new ATOM 0 HG SER A 28 -2.461 5.495 -7.379 1.00 0.00 H new ATOM 363 N ARG A 29 -3.024 8.078 -7.533 1.00 0.00 N ATOM 364 CA ARG A 29 -3.917 8.708 -8.491 1.00 0.00 C ATOM 365 C ARG A 29 -3.926 10.225 -8.291 1.00 0.00 C ATOM 366 O ARG A 29 -4.016 10.981 -9.257 1.00 0.00 O ATOM 367 CB ARG A 29 -5.343 8.173 -8.350 1.00 0.00 C ATOM 368 CG ARG A 29 -5.714 7.279 -9.535 1.00 0.00 C ATOM 369 CD ARG A 29 -6.349 8.096 -10.661 1.00 0.00 C ATOM 370 NE ARG A 29 -7.652 7.507 -11.041 1.00 0.00 N ATOM 371 CZ ARG A 29 -8.463 8.018 -11.979 1.00 0.00 C ATOM 372 NH1 ARG A 29 -8.109 9.130 -12.636 1.00 0.00 N ATOM 373 NH2 ARG A 29 -9.627 7.415 -12.258 1.00 0.00 N ATOM 0 H ARG A 29 -3.492 7.623 -6.749 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.550 8.472 -9.490 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.433 7.608 -7.422 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.043 9.006 -8.285 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.823 6.773 -9.906 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.407 6.504 -9.208 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.487 9.128 -10.339 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.685 8.118 -11.525 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.952 6.659 -10.560 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.223 9.588 -12.423 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.726 9.519 -13.349 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.896 6.568 -11.757 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.244 7.803 -12.971 1.00 0.00 H new ATOM 387 N THR A 30 -3.833 10.624 -7.031 1.00 0.00 N ATOM 388 CA THR A 30 -3.830 12.036 -6.692 1.00 0.00 C ATOM 389 C THR A 30 -2.498 12.677 -7.087 1.00 0.00 C ATOM 390 O THR A 30 -2.469 13.802 -7.582 1.00 0.00 O ATOM 391 CB THR A 30 -4.147 12.165 -5.201 1.00 0.00 C ATOM 392 OG1 THR A 30 -2.951 11.740 -4.553 1.00 0.00 O ATOM 393 CG2 THR A 30 -5.201 11.157 -4.737 1.00 0.00 C ATOM 0 H THR A 30 -3.759 9.993 -6.233 1.00 0.00 H new ATOM 0 HA THR A 30 -4.594 12.578 -7.250 1.00 0.00 H new ATOM 0 HB THR A 30 -4.495 13.176 -4.990 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.717 10.838 -4.857 1.00 0.00 H new ATOM 0 HG21 THR A 30 -5.389 11.291 -3.672 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.126 11.316 -5.292 1.00 0.00 H new ATOM 0 HG23 THR A 30 -4.840 10.144 -4.917 1.00 0.00 H new ATOM 401 N ILE A 31 -1.427 11.932 -6.853 1.00 0.00 N ATOM 402 CA ILE A 31 -0.095 12.413 -7.179 1.00 0.00 C ATOM 403 C ILE A 31 0.031 12.563 -8.696 1.00 0.00 C ATOM 404 O ILE A 31 0.652 13.508 -9.180 1.00 0.00 O ATOM 405 CB ILE A 31 0.968 11.504 -6.560 1.00 0.00 C ATOM 406 CG1 ILE A 31 2.248 12.286 -6.256 1.00 0.00 C ATOM 407 CG2 ILE A 31 1.237 10.289 -7.449 1.00 0.00 C ATOM 408 CD1 ILE A 31 2.134 13.030 -4.924 1.00 0.00 C ATOM 0 H ILE A 31 -1.455 10.999 -6.442 1.00 0.00 H new ATOM 0 HA ILE A 31 0.071 13.400 -6.746 1.00 0.00 H new ATOM 0 HB ILE A 31 0.585 11.129 -5.611 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.097 11.603 -6.223 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.443 12.998 -7.058 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.997 9.660 -6.985 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.317 9.717 -7.571 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.589 10.623 -8.425 1.00 0.00 H new ATOM 0 HD11 ILE A 31 3.057 13.577 -4.733 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.300 13.730 -4.969 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.964 12.313 -4.120 1.00 0.00 H new ATOM 420 N GLU A 32 -0.567 11.616 -9.404 1.00 0.00 N ATOM 421 CA GLU A 32 -0.529 11.631 -10.857 1.00 0.00 C ATOM 422 C GLU A 32 -1.389 12.775 -11.398 1.00 0.00 C ATOM 423 O GLU A 32 -1.138 13.281 -12.491 1.00 0.00 O ATOM 424 CB GLU A 32 -0.979 10.287 -11.431 1.00 0.00 C ATOM 425 CG GLU A 32 0.207 9.512 -12.008 1.00 0.00 C ATOM 426 CD GLU A 32 -0.200 8.746 -13.269 1.00 0.00 C ATOM 427 OE1 GLU A 32 -0.257 9.397 -14.335 1.00 0.00 O ATOM 428 OE2 GLU A 32 -0.444 7.527 -13.138 1.00 0.00 O ATOM 0 H GLU A 32 -1.081 10.833 -8.999 1.00 0.00 H new ATOM 0 HA GLU A 32 0.501 11.796 -11.173 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.459 9.696 -10.650 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.724 10.451 -12.210 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.017 10.202 -12.243 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.588 8.815 -11.262 1.00 0.00 H new ATOM 435 N GLY A 33 -2.385 13.149 -10.609 1.00 0.00 N ATOM 436 CA GLY A 33 -3.284 14.223 -10.996 1.00 0.00 C ATOM 437 C GLY A 33 -2.550 15.565 -11.032 1.00 0.00 C ATOM 438 O GLY A 33 -2.747 16.360 -11.950 1.00 0.00 O ATOM 0 H GLY A 33 -2.590 12.727 -9.703 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.709 14.011 -11.977 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.115 14.278 -10.293 1.00 0.00 H new ATOM 442 N ILE A 34 -1.720 15.777 -10.021 1.00 0.00 N ATOM 443 CA ILE A 34 -0.956 17.009 -9.926 1.00 0.00 C ATOM 444 C ILE A 34 0.175 16.984 -10.956 1.00 0.00 C ATOM 445 O ILE A 34 0.600 18.031 -11.442 1.00 0.00 O ATOM 446 CB ILE A 34 -0.475 17.232 -8.490 1.00 0.00 C ATOM 447 CG1 ILE A 34 0.759 16.381 -8.187 1.00 0.00 C ATOM 448 CG2 ILE A 34 -1.605 16.980 -7.489 1.00 0.00 C ATOM 449 CD1 ILE A 34 2.003 17.257 -8.024 1.00 0.00 C ATOM 0 H ILE A 34 -1.560 15.116 -9.261 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.585 17.866 -10.164 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.179 18.276 -8.386 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.593 15.805 -7.276 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.918 15.664 -8.993 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.237 17.145 -6.476 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.430 17.663 -7.692 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.954 15.952 -7.585 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.866 16.627 -7.809 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.180 17.813 -8.945 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.851 17.956 -7.202 1.00 0.00 H new ATOM 461 N ALA A 35 0.630 15.777 -11.259 1.00 0.00 N ATOM 462 CA ALA A 35 1.703 15.602 -12.223 1.00 0.00 C ATOM 463 C ALA A 35 1.178 15.910 -13.626 1.00 0.00 C ATOM 464 O ALA A 35 1.956 16.028 -14.572 1.00 0.00 O ATOM 465 CB ALA A 35 2.266 14.184 -12.109 1.00 0.00 C ATOM 0 H ALA A 35 0.275 14.911 -10.854 1.00 0.00 H new ATOM 0 HA ALA A 35 2.520 16.294 -12.018 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.071 14.053 -12.832 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.653 14.026 -11.102 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.475 13.461 -12.311 1.00 0.00 H new ATOM 471 N ARG A 36 -0.138 16.030 -13.718 1.00 0.00 N ATOM 472 CA ARG A 36 -0.777 16.321 -14.990 1.00 0.00 C ATOM 473 C ARG A 36 -0.256 17.645 -15.554 1.00 0.00 C ATOM 474 O ARG A 36 -0.014 17.760 -16.754 1.00 0.00 O ATOM 475 CB ARG A 36 -2.297 16.402 -14.838 1.00 0.00 C ATOM 476 CG ARG A 36 -2.891 15.027 -14.529 1.00 0.00 C ATOM 477 CD ARG A 36 -4.416 15.098 -14.425 1.00 0.00 C ATOM 478 NE ARG A 36 -5.011 13.801 -14.814 1.00 0.00 N ATOM 479 CZ ARG A 36 -6.329 13.570 -14.888 1.00 0.00 C ATOM 480 NH1 ARG A 36 -7.197 14.549 -14.599 1.00 0.00 N ATOM 481 NH2 ARG A 36 -6.779 12.361 -15.250 1.00 0.00 N ATOM 0 H ARG A 36 -0.780 15.931 -12.932 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.536 15.509 -15.676 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.549 17.099 -14.039 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.737 16.795 -15.755 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.609 14.321 -15.310 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.477 14.650 -13.594 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.708 15.350 -13.405 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.796 15.890 -15.070 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.378 13.034 -15.040 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.854 15.469 -14.323 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.200 14.374 -14.655 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.118 11.616 -15.469 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.782 12.186 -15.306 1.00 0.00 H new ATOM 495 N GLN A 37 -0.100 18.612 -14.661 1.00 0.00 N ATOM 496 CA GLN A 37 0.387 19.923 -15.054 1.00 0.00 C ATOM 497 C GLN A 37 1.729 19.795 -15.777 1.00 0.00 C ATOM 498 O GLN A 37 2.402 18.771 -15.669 1.00 0.00 O ATOM 499 CB GLN A 37 0.502 20.851 -13.844 1.00 0.00 C ATOM 500 CG GLN A 37 -0.823 21.569 -13.575 1.00 0.00 C ATOM 501 CD GLN A 37 -0.980 22.788 -14.486 1.00 0.00 C ATOM 502 OE1 GLN A 37 -1.303 22.683 -15.658 1.00 0.00 O ATOM 503 NE2 GLN A 37 -0.733 23.948 -13.884 1.00 0.00 N ATOM 0 H GLN A 37 -0.303 18.513 -13.666 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.334 20.366 -15.742 1.00 0.00 H new ATOM 0 HB2 GLN A 37 0.792 20.275 -12.966 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.289 21.585 -14.018 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.653 20.881 -13.736 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -0.866 21.882 -12.532 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.467 23.965 -12.899 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -0.810 24.820 -14.407 1.00 0.00 H new ATOM 512 N PRO A 38 2.088 20.878 -16.517 1.00 0.00 N ATOM 513 CA PRO A 38 3.339 20.897 -17.258 1.00 0.00 C ATOM 514 C PRO A 38 4.529 21.101 -16.318 1.00 0.00 C ATOM 515 O PRO A 38 5.583 20.495 -16.506 1.00 0.00 O ATOM 516 CB PRO A 38 3.180 22.022 -18.268 1.00 0.00 C ATOM 517 CG PRO A 38 2.043 22.888 -17.753 1.00 0.00 C ATOM 518 CD PRO A 38 1.317 22.108 -16.669 1.00 0.00 C ATOM 0 HA PRO A 38 3.544 19.953 -17.762 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.100 22.599 -18.358 1.00 0.00 H new ATOM 0 HB3 PRO A 38 2.953 21.628 -19.259 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.428 23.827 -17.355 1.00 0.00 H new ATOM 0 HG3 PRO A 38 1.360 23.142 -18.563 1.00 0.00 H new ATOM 0 HD2 PRO A 38 1.279 22.669 -15.735 1.00 0.00 H new ATOM 0 HD3 PRO A 38 0.287 21.897 -16.956 1.00 0.00 H new ATOM 526 N GLU A 39 4.321 21.956 -15.328 1.00 0.00 N ATOM 527 CA GLU A 39 5.364 22.248 -14.359 1.00 0.00 C ATOM 528 C GLU A 39 5.622 21.027 -13.474 1.00 0.00 C ATOM 529 O GLU A 39 6.672 20.925 -12.841 1.00 0.00 O ATOM 530 CB GLU A 39 5.001 23.471 -13.514 1.00 0.00 C ATOM 531 CG GLU A 39 6.199 23.939 -12.686 1.00 0.00 C ATOM 532 CD GLU A 39 5.751 24.850 -11.541 1.00 0.00 C ATOM 533 OE1 GLU A 39 4.760 25.581 -11.752 1.00 0.00 O ATOM 534 OE2 GLU A 39 6.410 24.794 -10.480 1.00 0.00 O ATOM 0 H GLU A 39 3.445 22.456 -15.176 1.00 0.00 H new ATOM 0 HA GLU A 39 6.281 22.481 -14.900 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.665 24.279 -14.163 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.170 23.227 -12.852 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.727 23.075 -12.283 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.902 24.472 -13.326 1.00 0.00 H new ATOM 541 N LEU A 40 4.646 20.131 -13.457 1.00 0.00 N ATOM 542 CA LEU A 40 4.754 18.921 -12.660 1.00 0.00 C ATOM 543 C LEU A 40 5.110 17.745 -13.572 1.00 0.00 C ATOM 544 O LEU A 40 4.693 16.614 -13.324 1.00 0.00 O ATOM 545 CB LEU A 40 3.479 18.701 -11.844 1.00 0.00 C ATOM 546 CG LEU A 40 3.085 19.836 -10.896 1.00 0.00 C ATOM 547 CD1 LEU A 40 4.032 19.902 -9.696 1.00 0.00 C ATOM 548 CD2 LEU A 40 3.010 21.171 -11.641 1.00 0.00 C ATOM 0 H LEU A 40 3.776 20.219 -13.983 1.00 0.00 H new ATOM 0 HA LEU A 40 5.559 19.016 -11.931 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.654 18.529 -12.535 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.599 17.790 -11.258 1.00 0.00 H new ATOM 0 HG LEU A 40 2.088 19.627 -10.508 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.730 20.717 -9.038 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.992 18.960 -9.149 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.050 20.076 -10.045 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.728 21.961 -10.945 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.983 21.400 -12.075 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.265 21.104 -12.434 1.00 0.00 H new ATOM 560 N ARG A 41 5.878 18.052 -14.607 1.00 0.00 N ATOM 561 CA ARG A 41 6.295 17.034 -15.557 1.00 0.00 C ATOM 562 C ARG A 41 7.176 15.991 -14.865 1.00 0.00 C ATOM 563 O ARG A 41 7.049 14.796 -15.125 1.00 0.00 O ATOM 564 CB ARG A 41 7.070 17.653 -16.722 1.00 0.00 C ATOM 565 CG ARG A 41 7.136 16.690 -17.909 1.00 0.00 C ATOM 566 CD ARG A 41 8.486 15.971 -17.958 1.00 0.00 C ATOM 567 NE ARG A 41 9.103 16.143 -19.292 1.00 0.00 N ATOM 568 CZ ARG A 41 10.120 15.401 -19.751 1.00 0.00 C ATOM 569 NH1 ARG A 41 10.640 14.432 -18.985 1.00 0.00 N ATOM 570 NH2 ARG A 41 10.617 15.628 -20.974 1.00 0.00 N ATOM 0 H ARG A 41 6.222 18.991 -14.809 1.00 0.00 H new ATOM 0 HA ARG A 41 5.396 16.555 -15.946 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.591 18.583 -17.029 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.079 17.907 -16.398 1.00 0.00 H new ATOM 0 HG2 ARG A 41 6.332 15.957 -17.833 1.00 0.00 H new ATOM 0 HG3 ARG A 41 6.979 17.240 -18.837 1.00 0.00 H new ATOM 0 HD2 ARG A 41 9.147 16.369 -17.188 1.00 0.00 H new ATOM 0 HD3 ARG A 41 8.351 14.911 -17.745 1.00 0.00 H new ATOM 0 HE ARG A 41 8.731 16.872 -19.900 1.00 0.00 H new ATOM 0 HH11 ARG A 41 10.262 14.260 -18.054 1.00 0.00 H new ATOM 0 HH12 ARG A 41 11.414 13.867 -19.333 1.00 0.00 H new ATOM 0 HH21 ARG A 41 10.221 16.366 -21.556 1.00 0.00 H new ATOM 0 HH22 ARG A 41 11.391 15.063 -21.323 1.00 0.00 H new ATOM 584 N PRO A 42 8.072 16.495 -13.974 1.00 0.00 N ATOM 585 CA PRO A 42 8.973 15.621 -13.243 1.00 0.00 C ATOM 586 C PRO A 42 8.232 14.877 -12.130 1.00 0.00 C ATOM 587 O PRO A 42 8.715 13.863 -11.628 1.00 0.00 O ATOM 588 CB PRO A 42 10.069 16.534 -12.720 1.00 0.00 C ATOM 589 CG PRO A 42 9.502 17.943 -12.780 1.00 0.00 C ATOM 590 CD PRO A 42 8.250 17.905 -13.641 1.00 0.00 C ATOM 0 HA PRO A 42 9.394 14.833 -13.868 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.346 16.267 -11.700 1.00 0.00 H new ATOM 0 HB3 PRO A 42 10.970 16.450 -13.327 1.00 0.00 H new ATOM 0 HG2 PRO A 42 9.266 18.302 -11.778 1.00 0.00 H new ATOM 0 HG3 PRO A 42 10.234 18.632 -13.201 1.00 0.00 H new ATOM 0 HD2 PRO A 42 7.387 18.297 -13.103 1.00 0.00 H new ATOM 0 HD3 PRO A 42 8.368 18.512 -14.539 1.00 0.00 H new ATOM 598 N VAL A 43 7.072 15.410 -11.776 1.00 0.00 N ATOM 599 CA VAL A 43 6.260 14.810 -10.732 1.00 0.00 C ATOM 600 C VAL A 43 5.830 13.408 -11.168 1.00 0.00 C ATOM 601 O VAL A 43 5.612 12.533 -10.331 1.00 0.00 O ATOM 602 CB VAL A 43 5.077 15.722 -10.400 1.00 0.00 C ATOM 603 CG1 VAL A 43 4.126 15.047 -9.409 1.00 0.00 C ATOM 604 CG2 VAL A 43 5.559 17.072 -9.865 1.00 0.00 C ATOM 0 H VAL A 43 6.675 16.251 -12.194 1.00 0.00 H new ATOM 0 HA VAL A 43 6.838 14.702 -9.814 1.00 0.00 H new ATOM 0 HB VAL A 43 4.525 15.905 -11.322 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.294 15.716 -9.190 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.744 14.123 -9.843 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.662 14.820 -8.487 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.699 17.701 -9.637 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.145 16.916 -8.959 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.177 17.562 -10.617 1.00 0.00 H new ATOM 614 N LEU A 44 5.721 13.238 -12.478 1.00 0.00 N ATOM 615 CA LEU A 44 5.321 11.957 -13.035 1.00 0.00 C ATOM 616 C LEU A 44 6.229 10.858 -12.479 1.00 0.00 C ATOM 617 O LEU A 44 5.753 9.795 -12.085 1.00 0.00 O ATOM 618 CB LEU A 44 5.299 12.022 -14.564 1.00 0.00 C ATOM 619 CG LEU A 44 3.942 11.773 -15.225 1.00 0.00 C ATOM 620 CD1 LEU A 44 3.533 12.961 -16.099 1.00 0.00 C ATOM 621 CD2 LEU A 44 3.946 10.459 -16.009 1.00 0.00 C ATOM 0 H LEU A 44 5.903 13.966 -13.169 1.00 0.00 H new ATOM 0 HA LEU A 44 4.302 11.712 -12.734 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.656 13.005 -14.872 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.009 11.290 -14.950 1.00 0.00 H new ATOM 0 HG LEU A 44 3.192 11.676 -14.440 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.565 12.759 -16.558 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.463 13.858 -15.484 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.279 13.113 -16.879 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.969 10.307 -16.469 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.710 10.501 -16.785 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.161 9.632 -15.332 1.00 0.00 H new ATOM 633 N GLN A 45 7.521 11.152 -12.466 1.00 0.00 N ATOM 634 CA GLN A 45 8.500 10.202 -11.965 1.00 0.00 C ATOM 635 C GLN A 45 8.216 9.871 -10.499 1.00 0.00 C ATOM 636 O GLN A 45 8.402 8.734 -10.068 1.00 0.00 O ATOM 637 CB GLN A 45 9.922 10.737 -12.141 1.00 0.00 C ATOM 638 CG GLN A 45 10.956 9.710 -11.673 1.00 0.00 C ATOM 639 CD GLN A 45 12.320 9.975 -12.312 1.00 0.00 C ATOM 640 OE1 GLN A 45 12.866 11.064 -12.244 1.00 0.00 O ATOM 641 NE2 GLN A 45 12.839 8.921 -12.936 1.00 0.00 N ATOM 0 H GLN A 45 7.913 12.035 -12.794 1.00 0.00 H new ATOM 0 HA GLN A 45 8.418 9.284 -12.547 1.00 0.00 H new ATOM 0 HB2 GLN A 45 10.095 10.981 -13.189 1.00 0.00 H new ATOM 0 HB3 GLN A 45 10.040 11.661 -11.575 1.00 0.00 H new ATOM 0 HG2 GLN A 45 11.046 9.748 -10.587 1.00 0.00 H new ATOM 0 HG3 GLN A 45 10.619 8.706 -11.930 1.00 0.00 H new ATOM 0 HE21 GLN A 45 12.329 8.038 -12.955 1.00 0.00 H new ATOM 0 HE22 GLN A 45 13.747 8.996 -13.395 1.00 0.00 H new ATOM 650 N THR A 46 7.770 10.885 -9.772 1.00 0.00 N ATOM 651 CA THR A 46 7.459 10.716 -8.363 1.00 0.00 C ATOM 652 C THR A 46 6.258 9.784 -8.190 1.00 0.00 C ATOM 653 O THR A 46 6.201 9.009 -7.236 1.00 0.00 O ATOM 654 CB THR A 46 7.242 12.104 -7.756 1.00 0.00 C ATOM 655 OG1 THR A 46 8.167 12.158 -6.674 1.00 0.00 O ATOM 656 CG2 THR A 46 5.874 12.243 -7.085 1.00 0.00 C ATOM 0 H THR A 46 7.617 11.827 -10.133 1.00 0.00 H new ATOM 0 HA THR A 46 8.282 10.238 -7.832 1.00 0.00 H new ATOM 0 HB THR A 46 7.342 12.860 -8.535 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.095 13.026 -6.225 1.00 0.00 H new ATOM 0 HG21 THR A 46 5.772 13.246 -6.671 1.00 0.00 H new ATOM 0 HG22 THR A 46 5.089 12.073 -7.821 1.00 0.00 H new ATOM 0 HG23 THR A 46 5.785 11.509 -6.284 1.00 0.00 H new ATOM 664 N THR A 47 5.328 9.889 -9.128 1.00 0.00 N ATOM 665 CA THR A 47 4.132 9.064 -9.091 1.00 0.00 C ATOM 666 C THR A 47 4.467 7.621 -9.473 1.00 0.00 C ATOM 667 O THR A 47 3.859 6.683 -8.962 1.00 0.00 O ATOM 668 CB THR A 47 3.087 9.708 -10.005 1.00 0.00 C ATOM 669 OG1 THR A 47 3.522 9.373 -11.320 1.00 0.00 O ATOM 670 CG2 THR A 47 3.141 11.236 -9.971 1.00 0.00 C ATOM 0 H THR A 47 5.378 10.532 -9.918 1.00 0.00 H new ATOM 0 HA THR A 47 3.718 9.012 -8.084 1.00 0.00 H new ATOM 0 HB THR A 47 2.092 9.374 -9.710 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.447 9.671 -11.445 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.379 11.642 -10.637 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.957 11.584 -8.955 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.125 11.573 -10.298 1.00 0.00 H new ATOM 678 N MET A 48 5.434 7.489 -10.369 1.00 0.00 N ATOM 679 CA MET A 48 5.857 6.176 -10.826 1.00 0.00 C ATOM 680 C MET A 48 6.400 5.341 -9.665 1.00 0.00 C ATOM 681 O MET A 48 6.068 4.163 -9.535 1.00 0.00 O ATOM 682 CB MET A 48 6.942 6.332 -11.894 1.00 0.00 C ATOM 683 CG MET A 48 6.354 6.185 -13.299 1.00 0.00 C ATOM 684 SD MET A 48 7.545 6.714 -14.518 1.00 0.00 S ATOM 685 CE MET A 48 6.637 6.358 -16.013 1.00 0.00 C ATOM 0 H MET A 48 5.937 8.270 -10.791 1.00 0.00 H new ATOM 0 HA MET A 48 4.993 5.662 -11.246 1.00 0.00 H new ATOM 0 HB2 MET A 48 7.417 7.308 -11.795 1.00 0.00 H new ATOM 0 HB3 MET A 48 7.719 5.583 -11.741 1.00 0.00 H new ATOM 0 HG2 MET A 48 6.075 5.147 -13.478 1.00 0.00 H new ATOM 0 HG3 MET A 48 5.444 6.779 -13.385 1.00 0.00 H new ATOM 0 HE1 MET A 48 7.240 6.631 -16.879 1.00 0.00 H new ATOM 0 HE2 MET A 48 6.405 5.294 -16.053 1.00 0.00 H new ATOM 0 HE3 MET A 48 5.710 6.932 -16.021 1.00 0.00 H new ATOM 695 N PHE A 49 7.225 5.982 -8.851 1.00 0.00 N ATOM 696 CA PHE A 49 7.817 5.313 -7.705 1.00 0.00 C ATOM 697 C PHE A 49 6.773 5.067 -6.614 1.00 0.00 C ATOM 698 O PHE A 49 6.841 4.069 -5.898 1.00 0.00 O ATOM 699 CB PHE A 49 8.902 6.241 -7.156 1.00 0.00 C ATOM 700 CG PHE A 49 10.113 5.508 -6.576 1.00 0.00 C ATOM 701 CD1 PHE A 49 10.058 4.991 -5.319 1.00 0.00 C ATOM 702 CD2 PHE A 49 11.245 5.374 -7.318 1.00 0.00 C ATOM 703 CE1 PHE A 49 11.182 4.311 -4.782 1.00 0.00 C ATOM 704 CE2 PHE A 49 12.370 4.693 -6.780 1.00 0.00 C ATOM 705 CZ PHE A 49 12.315 4.176 -5.523 1.00 0.00 C ATOM 0 H PHE A 49 7.498 6.959 -8.962 1.00 0.00 H new ATOM 0 HA PHE A 49 8.222 4.347 -8.007 1.00 0.00 H new ATOM 0 HB2 PHE A 49 9.239 6.902 -7.955 1.00 0.00 H new ATOM 0 HB3 PHE A 49 8.467 6.873 -6.381 1.00 0.00 H new ATOM 0 HD1 PHE A 49 9.159 5.098 -4.730 1.00 0.00 H new ATOM 0 HD2 PHE A 49 11.289 5.785 -8.316 1.00 0.00 H new ATOM 0 HE1 PHE A 49 11.138 3.900 -3.784 1.00 0.00 H new ATOM 0 HE2 PHE A 49 13.269 4.586 -7.369 1.00 0.00 H new ATOM 0 HZ PHE A 49 13.170 3.659 -5.114 1.00 0.00 H new ATOM 715 N ILE A 50 5.830 5.994 -6.522 1.00 0.00 N ATOM 716 CA ILE A 50 4.773 5.890 -5.531 1.00 0.00 C ATOM 717 C ILE A 50 3.865 4.709 -5.881 1.00 0.00 C ATOM 718 O ILE A 50 3.335 4.044 -4.992 1.00 0.00 O ATOM 719 CB ILE A 50 4.029 7.220 -5.400 1.00 0.00 C ATOM 720 CG1 ILE A 50 4.001 7.693 -3.945 1.00 0.00 C ATOM 721 CG2 ILE A 50 2.624 7.123 -5.998 1.00 0.00 C ATOM 722 CD1 ILE A 50 5.311 8.390 -3.570 1.00 0.00 C ATOM 0 H ILE A 50 5.776 6.820 -7.118 1.00 0.00 H new ATOM 0 HA ILE A 50 5.193 5.688 -4.546 1.00 0.00 H new ATOM 0 HB ILE A 50 4.572 7.972 -5.972 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.166 8.377 -3.797 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.836 6.841 -3.285 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.116 8.082 -5.892 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.695 6.865 -7.055 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.058 6.353 -5.474 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.265 8.716 -2.531 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.142 7.695 -3.696 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.461 9.255 -4.216 1.00 0.00 H new ATOM 734 N GLY A 51 3.715 4.484 -7.178 1.00 0.00 N ATOM 735 CA GLY A 51 2.880 3.395 -7.656 1.00 0.00 C ATOM 736 C GLY A 51 3.456 2.040 -7.240 1.00 0.00 C ATOM 737 O GLY A 51 2.756 1.221 -6.646 1.00 0.00 O ATOM 0 H GLY A 51 4.157 5.037 -7.912 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.871 3.503 -7.257 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.800 3.443 -8.742 1.00 0.00 H new ATOM 741 N VAL A 52 4.724 1.846 -7.568 1.00 0.00 N ATOM 742 CA VAL A 52 5.402 0.604 -7.236 1.00 0.00 C ATOM 743 C VAL A 52 5.341 0.384 -5.723 1.00 0.00 C ATOM 744 O VAL A 52 4.951 -0.688 -5.263 1.00 0.00 O ATOM 745 CB VAL A 52 6.832 0.626 -7.780 1.00 0.00 C ATOM 746 CG1 VAL A 52 7.520 -0.724 -7.567 1.00 0.00 C ATOM 747 CG2 VAL A 52 6.850 1.024 -9.257 1.00 0.00 C ATOM 0 H VAL A 52 5.301 2.528 -8.061 1.00 0.00 H new ATOM 0 HA VAL A 52 4.902 -0.242 -7.708 1.00 0.00 H new ATOM 0 HB VAL A 52 7.391 1.378 -7.224 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.535 -0.682 -7.962 1.00 0.00 H new ATOM 0 HG12 VAL A 52 7.555 -0.950 -6.501 1.00 0.00 H new ATOM 0 HG13 VAL A 52 6.961 -1.503 -8.085 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.878 1.032 -9.619 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.267 0.306 -9.834 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.417 2.018 -9.371 1.00 0.00 H new ATOM 757 N ALA A 53 5.731 1.417 -4.991 1.00 0.00 N ATOM 758 CA ALA A 53 5.726 1.350 -3.539 1.00 0.00 C ATOM 759 C ALA A 53 4.340 0.916 -3.058 1.00 0.00 C ATOM 760 O ALA A 53 4.223 0.139 -2.112 1.00 0.00 O ATOM 761 CB ALA A 53 6.146 2.704 -2.964 1.00 0.00 C ATOM 0 H ALA A 53 6.053 2.305 -5.376 1.00 0.00 H new ATOM 0 HA ALA A 53 6.444 0.610 -3.186 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.142 2.654 -1.875 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.149 2.952 -3.312 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.447 3.472 -3.294 1.00 0.00 H new ATOM 767 N LEU A 54 3.325 1.437 -3.732 1.00 0.00 N ATOM 768 CA LEU A 54 1.952 1.114 -3.385 1.00 0.00 C ATOM 769 C LEU A 54 1.709 -0.378 -3.619 1.00 0.00 C ATOM 770 O LEU A 54 0.858 -0.982 -2.968 1.00 0.00 O ATOM 771 CB LEU A 54 0.980 2.021 -4.142 1.00 0.00 C ATOM 772 CG LEU A 54 0.138 1.345 -5.226 1.00 0.00 C ATOM 773 CD1 LEU A 54 -1.146 0.758 -4.636 1.00 0.00 C ATOM 774 CD2 LEU A 54 -0.150 2.310 -6.378 1.00 0.00 C ATOM 0 H LEU A 54 3.426 2.081 -4.517 1.00 0.00 H new ATOM 0 HA LEU A 54 1.772 1.305 -2.327 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.305 2.480 -3.420 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.551 2.827 -4.603 1.00 0.00 H new ATOM 0 HG LEU A 54 0.713 0.515 -5.637 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.726 0.283 -5.427 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.892 0.017 -3.878 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.735 1.555 -4.182 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.750 1.804 -7.135 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.696 3.175 -6.000 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.790 2.639 -6.821 1.00 0.00 H new ATOM 786 N VAL A 55 2.473 -0.930 -4.550 1.00 0.00 N ATOM 787 CA VAL A 55 2.351 -2.341 -4.878 1.00 0.00 C ATOM 788 C VAL A 55 3.177 -3.163 -3.887 1.00 0.00 C ATOM 789 O VAL A 55 2.870 -4.327 -3.634 1.00 0.00 O ATOM 790 CB VAL A 55 2.758 -2.576 -6.335 1.00 0.00 C ATOM 791 CG1 VAL A 55 3.180 -4.030 -6.558 1.00 0.00 C ATOM 792 CG2 VAL A 55 1.630 -2.180 -7.289 1.00 0.00 C ATOM 0 H VAL A 55 3.179 -0.426 -5.088 1.00 0.00 H new ATOM 0 HA VAL A 55 1.315 -2.667 -4.787 1.00 0.00 H new ATOM 0 HB VAL A 55 3.617 -1.941 -6.550 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.464 -4.171 -7.601 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.029 -4.265 -5.916 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.348 -4.691 -6.316 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.945 -2.357 -8.318 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.744 -2.777 -7.073 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.396 -1.124 -7.157 1.00 0.00 H new ATOM 802 N GLU A 56 4.208 -2.526 -3.353 1.00 0.00 N ATOM 803 CA GLU A 56 5.080 -3.184 -2.395 1.00 0.00 C ATOM 804 C GLU A 56 4.391 -3.288 -1.033 1.00 0.00 C ATOM 805 O GLU A 56 4.946 -3.856 -0.094 1.00 0.00 O ATOM 806 CB GLU A 56 6.419 -2.452 -2.278 1.00 0.00 C ATOM 807 CG GLU A 56 7.404 -2.936 -3.344 1.00 0.00 C ATOM 808 CD GLU A 56 8.740 -2.201 -3.230 1.00 0.00 C ATOM 809 OE1 GLU A 56 9.476 -2.508 -2.267 1.00 0.00 O ATOM 810 OE2 GLU A 56 8.996 -1.349 -4.107 1.00 0.00 O ATOM 0 H GLU A 56 4.459 -1.561 -3.566 1.00 0.00 H new ATOM 0 HA GLU A 56 5.285 -4.192 -2.754 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.261 -1.379 -2.384 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.841 -2.615 -1.287 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.565 -4.009 -3.236 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.980 -2.776 -4.335 1.00 0.00 H new ATOM 817 N ALA A 57 3.191 -2.729 -0.970 1.00 0.00 N ATOM 818 CA ALA A 57 2.420 -2.751 0.262 1.00 0.00 C ATOM 819 C ALA A 57 1.564 -4.019 0.299 1.00 0.00 C ATOM 820 O ALA A 57 1.135 -4.451 1.368 1.00 0.00 O ATOM 821 CB ALA A 57 1.579 -1.477 0.361 1.00 0.00 C ATOM 0 H ALA A 57 2.734 -2.259 -1.751 1.00 0.00 H new ATOM 0 HA ALA A 57 3.081 -2.773 1.128 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.001 -1.494 1.285 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.235 -0.607 0.359 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.901 -1.422 -0.490 1.00 0.00 H new ATOM 827 N LEU A 58 1.340 -4.579 -0.880 1.00 0.00 N ATOM 828 CA LEU A 58 0.542 -5.788 -0.995 1.00 0.00 C ATOM 829 C LEU A 58 1.252 -6.933 -0.269 1.00 0.00 C ATOM 830 O LEU A 58 0.654 -7.605 0.570 1.00 0.00 O ATOM 831 CB LEU A 58 0.235 -6.089 -2.464 1.00 0.00 C ATOM 832 CG LEU A 58 -1.212 -6.472 -2.781 1.00 0.00 C ATOM 833 CD1 LEU A 58 -2.195 -5.574 -2.027 1.00 0.00 C ATOM 834 CD2 LEU A 58 -1.465 -6.459 -4.290 1.00 0.00 C ATOM 0 H LEU A 58 1.697 -4.218 -1.765 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.426 -5.654 -0.511 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.496 -5.212 -3.056 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.885 -6.900 -2.792 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.378 -7.492 -2.436 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.216 -5.868 -2.270 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.033 -5.678 -0.954 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.037 -4.536 -2.319 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.501 -6.735 -4.488 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.274 -5.460 -4.682 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.800 -7.173 -4.777 1.00 0.00 H new ATOM 846 N PRO A 59 2.550 -7.124 -0.627 1.00 0.00 N ATOM 847 CA PRO A 59 3.347 -8.175 -0.018 1.00 0.00 C ATOM 848 C PRO A 59 3.759 -7.796 1.406 1.00 0.00 C ATOM 849 O PRO A 59 3.793 -8.648 2.293 1.00 0.00 O ATOM 850 CB PRO A 59 4.533 -8.360 -0.950 1.00 0.00 C ATOM 851 CG PRO A 59 4.601 -7.096 -1.793 1.00 0.00 C ATOM 852 CD PRO A 59 3.290 -6.347 -1.616 1.00 0.00 C ATOM 0 HA PRO A 59 2.796 -9.109 0.094 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.455 -8.503 -0.386 1.00 0.00 H new ATOM 0 HB3 PRO A 59 4.403 -9.242 -1.578 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.441 -6.474 -1.482 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.760 -7.345 -2.842 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.460 -5.327 -1.272 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.743 -6.279 -2.556 1.00 0.00 H new ATOM 860 N ILE A 60 4.061 -6.518 1.580 1.00 0.00 N ATOM 861 CA ILE A 60 4.470 -6.016 2.881 1.00 0.00 C ATOM 862 C ILE A 60 3.384 -6.336 3.910 1.00 0.00 C ATOM 863 O ILE A 60 3.663 -6.937 4.946 1.00 0.00 O ATOM 864 CB ILE A 60 4.817 -4.529 2.796 1.00 0.00 C ATOM 865 CG1 ILE A 60 6.311 -4.329 2.534 1.00 0.00 C ATOM 866 CG2 ILE A 60 4.351 -3.784 4.049 1.00 0.00 C ATOM 867 CD1 ILE A 60 6.599 -2.904 2.057 1.00 0.00 C ATOM 0 H ILE A 60 4.031 -5.815 0.842 1.00 0.00 H new ATOM 0 HA ILE A 60 5.381 -6.514 3.213 1.00 0.00 H new ATOM 0 HB ILE A 60 4.281 -4.101 1.949 1.00 0.00 H new ATOM 0 HG12 ILE A 60 6.874 -4.532 3.445 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.651 -5.043 1.784 1.00 0.00 H new ATOM 0 HG21 ILE A 60 4.610 -2.729 3.962 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.271 -3.885 4.152 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.840 -4.207 4.927 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.668 -2.789 1.878 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.054 -2.713 1.133 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.280 -2.194 2.820 1.00 0.00 H new ATOM 879 N ILE A 61 2.167 -5.921 3.588 1.00 0.00 N ATOM 880 CA ILE A 61 1.038 -6.155 4.472 1.00 0.00 C ATOM 881 C ILE A 61 0.816 -7.662 4.620 1.00 0.00 C ATOM 882 O ILE A 61 0.572 -8.152 5.721 1.00 0.00 O ATOM 883 CB ILE A 61 -0.196 -5.398 3.977 1.00 0.00 C ATOM 884 CG1 ILE A 61 0.121 -3.917 3.758 1.00 0.00 C ATOM 885 CG2 ILE A 61 -1.378 -5.597 4.928 1.00 0.00 C ATOM 886 CD1 ILE A 61 -0.785 -3.316 2.682 1.00 0.00 C ATOM 0 H ILE A 61 1.939 -5.424 2.727 1.00 0.00 H new ATOM 0 HA ILE A 61 1.246 -5.763 5.468 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.487 -5.811 3.011 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.008 -3.372 4.693 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.165 -3.804 3.464 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.243 -5.049 4.554 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.620 -6.658 4.990 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.114 -5.226 5.919 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.539 -2.263 2.546 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.636 -3.848 1.742 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.826 -3.408 2.990 1.00 0.00 H new ATOM 898 N GLY A 62 0.911 -8.355 3.495 1.00 0.00 N ATOM 899 CA GLY A 62 0.723 -9.796 3.485 1.00 0.00 C ATOM 900 C GLY A 62 1.673 -10.479 4.472 1.00 0.00 C ATOM 901 O GLY A 62 1.313 -11.476 5.096 1.00 0.00 O ATOM 0 H GLY A 62 1.116 -7.945 2.584 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.309 -10.034 3.744 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.897 -10.182 2.481 1.00 0.00 H new ATOM 905 N VAL A 63 2.867 -9.915 4.581 1.00 0.00 N ATOM 906 CA VAL A 63 3.870 -10.457 5.481 1.00 0.00 C ATOM 907 C VAL A 63 3.421 -10.243 6.928 1.00 0.00 C ATOM 908 O VAL A 63 3.627 -11.106 7.780 1.00 0.00 O ATOM 909 CB VAL A 63 5.235 -9.833 5.180 1.00 0.00 C ATOM 910 CG1 VAL A 63 6.176 -9.968 6.379 1.00 0.00 C ATOM 911 CG2 VAL A 63 5.854 -10.448 3.924 1.00 0.00 C ATOM 0 H VAL A 63 3.162 -9.089 4.061 1.00 0.00 H new ATOM 0 HA VAL A 63 3.978 -11.531 5.330 1.00 0.00 H new ATOM 0 HB VAL A 63 5.083 -8.770 4.992 1.00 0.00 H new ATOM 0 HG11 VAL A 63 7.139 -9.517 6.139 1.00 0.00 H new ATOM 0 HG12 VAL A 63 5.742 -9.461 7.241 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.318 -11.023 6.613 1.00 0.00 H new ATOM 0 HG21 VAL A 63 6.823 -9.987 3.733 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.985 -11.520 4.070 1.00 0.00 H new ATOM 0 HG23 VAL A 63 5.196 -10.276 3.072 1.00 0.00 H new ATOM 921 N VAL A 64 2.816 -9.087 7.161 1.00 0.00 N ATOM 922 CA VAL A 64 2.336 -8.749 8.490 1.00 0.00 C ATOM 923 C VAL A 64 1.315 -9.795 8.941 1.00 0.00 C ATOM 924 O VAL A 64 1.425 -10.344 10.036 1.00 0.00 O ATOM 925 CB VAL A 64 1.776 -7.325 8.497 1.00 0.00 C ATOM 926 CG1 VAL A 64 0.879 -7.095 9.716 1.00 0.00 C ATOM 927 CG2 VAL A 64 2.903 -6.292 8.443 1.00 0.00 C ATOM 0 H VAL A 64 2.647 -8.373 6.452 1.00 0.00 H new ATOM 0 HA VAL A 64 3.156 -8.766 9.208 1.00 0.00 H new ATOM 0 HB VAL A 64 1.165 -7.201 7.603 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.494 -6.075 9.697 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.046 -7.798 9.693 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.457 -7.248 10.627 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.477 -5.289 8.449 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.552 -6.416 9.310 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.484 -6.434 7.532 1.00 0.00 H new ATOM 937 N PHE A 65 0.345 -10.041 8.072 1.00 0.00 N ATOM 938 CA PHE A 65 -0.695 -11.012 8.367 1.00 0.00 C ATOM 939 C PHE A 65 -0.090 -12.362 8.758 1.00 0.00 C ATOM 940 O PHE A 65 -0.561 -13.011 9.690 1.00 0.00 O ATOM 941 CB PHE A 65 -1.519 -11.187 7.090 1.00 0.00 C ATOM 942 CG PHE A 65 -1.698 -12.644 6.659 1.00 0.00 C ATOM 943 CD1 PHE A 65 -2.322 -13.526 7.484 1.00 0.00 C ATOM 944 CD2 PHE A 65 -1.231 -13.057 5.450 1.00 0.00 C ATOM 945 CE1 PHE A 65 -2.488 -14.878 7.084 1.00 0.00 C ATOM 946 CE2 PHE A 65 -1.397 -14.409 5.049 1.00 0.00 C ATOM 947 CZ PHE A 65 -2.021 -15.291 5.875 1.00 0.00 C ATOM 0 H PHE A 65 0.258 -9.585 7.164 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.305 -10.662 9.200 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.502 -10.740 7.240 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.038 -10.636 6.281 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -2.692 -13.198 8.444 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.734 -12.357 4.795 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -2.985 -15.578 7.739 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.028 -14.737 4.088 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.146 -16.320 5.571 1.00 0.00 H new ATOM 957 N SER A 66 0.945 -12.745 8.025 1.00 0.00 N ATOM 958 CA SER A 66 1.620 -14.005 8.283 1.00 0.00 C ATOM 959 C SER A 66 2.296 -13.966 9.655 1.00 0.00 C ATOM 960 O SER A 66 2.150 -14.894 10.449 1.00 0.00 O ATOM 961 CB SER A 66 2.649 -14.313 7.193 1.00 0.00 C ATOM 962 OG SER A 66 3.945 -13.828 7.531 1.00 0.00 O ATOM 0 H SER A 66 1.333 -12.204 7.252 1.00 0.00 H new ATOM 0 HA SER A 66 0.874 -14.800 8.275 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.695 -15.390 7.032 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.327 -13.864 6.253 1.00 0.00 H new ATOM 0 HG SER A 66 3.943 -12.848 7.511 1.00 0.00 H new ATOM 968 N PHE A 67 3.020 -12.882 9.891 1.00 0.00 N ATOM 969 CA PHE A 67 3.719 -12.710 11.153 1.00 0.00 C ATOM 970 C PHE A 67 2.743 -12.758 12.331 1.00 0.00 C ATOM 971 O PHE A 67 3.089 -13.238 13.409 1.00 0.00 O ATOM 972 CB PHE A 67 4.383 -11.332 11.112 1.00 0.00 C ATOM 973 CG PHE A 67 5.883 -11.373 10.812 1.00 0.00 C ATOM 974 CD1 PHE A 67 6.693 -12.217 11.505 1.00 0.00 C ATOM 975 CD2 PHE A 67 6.406 -10.566 9.850 1.00 0.00 C ATOM 976 CE1 PHE A 67 8.084 -12.255 11.226 1.00 0.00 C ATOM 977 CE2 PHE A 67 7.798 -10.604 9.571 1.00 0.00 C ATOM 978 CZ PHE A 67 8.608 -11.448 10.265 1.00 0.00 C ATOM 0 H PHE A 67 3.138 -12.114 9.230 1.00 0.00 H new ATOM 0 HA PHE A 67 4.448 -13.509 11.287 1.00 0.00 H new ATOM 0 HB2 PHE A 67 3.888 -10.724 10.355 1.00 0.00 H new ATOM 0 HB3 PHE A 67 4.228 -10.837 12.070 1.00 0.00 H new ATOM 0 HD1 PHE A 67 6.278 -12.859 12.268 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.763 -9.896 9.298 1.00 0.00 H new ATOM 0 HE1 PHE A 67 8.727 -12.925 11.777 1.00 0.00 H new ATOM 0 HE2 PHE A 67 8.213 -9.963 8.808 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.667 -11.477 10.053 1.00 0.00 H new ATOM 988 N ILE A 68 1.543 -12.253 12.085 1.00 0.00 N ATOM 989 CA ILE A 68 0.515 -12.232 13.112 1.00 0.00 C ATOM 990 C ILE A 68 0.261 -13.659 13.601 1.00 0.00 C ATOM 991 O ILE A 68 0.284 -13.920 14.803 1.00 0.00 O ATOM 992 CB ILE A 68 -0.741 -11.525 12.598 1.00 0.00 C ATOM 993 CG1 ILE A 68 -1.095 -10.327 13.481 1.00 0.00 C ATOM 994 CG2 ILE A 68 -1.907 -12.506 12.467 1.00 0.00 C ATOM 995 CD1 ILE A 68 0.096 -9.378 13.622 1.00 0.00 C ATOM 0 H ILE A 68 1.260 -11.855 11.190 1.00 0.00 H new ATOM 0 HA ILE A 68 0.848 -11.654 13.974 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.532 -11.139 11.600 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.942 -9.792 13.051 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.405 -10.676 14.466 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.787 -11.978 12.100 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.640 -13.297 11.766 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -2.126 -12.943 13.441 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.183 -8.535 14.255 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.933 -9.910 14.074 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.388 -9.012 12.638 1.00 0.00 H new ATOM 1007 N TYR A 69 0.024 -14.546 12.646 1.00 0.00 N ATOM 1008 CA TYR A 69 -0.234 -15.939 12.965 1.00 0.00 C ATOM 1009 C TYR A 69 0.955 -16.564 13.697 1.00 0.00 C ATOM 1010 O TYR A 69 0.784 -17.204 14.734 1.00 0.00 O ATOM 1011 CB TYR A 69 -0.422 -16.651 11.623 1.00 0.00 C ATOM 1012 CG TYR A 69 -1.274 -17.919 11.706 1.00 0.00 C ATOM 1013 CD1 TYR A 69 -0.813 -19.016 12.406 1.00 0.00 C ATOM 1014 CD2 TYR A 69 -2.504 -17.966 11.081 1.00 0.00 C ATOM 1015 CE1 TYR A 69 -1.615 -20.209 12.484 1.00 0.00 C ATOM 1016 CE2 TYR A 69 -3.306 -19.160 11.159 1.00 0.00 C ATOM 1017 CZ TYR A 69 -2.822 -20.222 11.856 1.00 0.00 C ATOM 1018 OH TYR A 69 -3.580 -21.350 11.930 1.00 0.00 O ATOM 0 H TYR A 69 0.005 -14.326 11.650 1.00 0.00 H new ATOM 0 HA TYR A 69 -1.106 -16.029 13.613 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -0.885 -15.960 10.918 1.00 0.00 H new ATOM 0 HB3 TYR A 69 0.557 -16.909 11.220 1.00 0.00 H new ATOM 0 HD1 TYR A 69 0.149 -18.979 12.895 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -2.865 -17.108 10.534 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -1.267 -21.074 13.029 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -4.270 -19.210 10.675 1.00 0.00 H new ATOM 0 HH TYR A 69 -4.416 -21.215 11.436 1.00 0.00 H new ATOM 1028 N LEU A 70 2.134 -16.356 13.130 1.00 0.00 N ATOM 1029 CA LEU A 70 3.351 -16.890 13.716 1.00 0.00 C ATOM 1030 C LEU A 70 3.398 -16.529 15.202 1.00 0.00 C ATOM 1031 O LEU A 70 4.069 -17.197 15.987 1.00 0.00 O ATOM 1032 CB LEU A 70 4.577 -16.419 12.930 1.00 0.00 C ATOM 1033 CG LEU A 70 5.578 -17.506 12.535 1.00 0.00 C ATOM 1034 CD1 LEU A 70 5.287 -18.035 11.129 1.00 0.00 C ATOM 1035 CD2 LEU A 70 7.017 -17.002 12.672 1.00 0.00 C ATOM 0 H LEU A 70 2.272 -15.825 12.270 1.00 0.00 H new ATOM 0 HA LEU A 70 3.358 -17.978 13.651 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.233 -15.922 12.023 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.100 -15.670 13.525 1.00 0.00 H new ATOM 0 HG LEU A 70 5.463 -18.343 13.224 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.013 -18.807 10.873 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.283 -18.458 11.100 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.357 -17.218 10.411 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.709 -17.794 12.385 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.164 -16.139 12.022 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.205 -16.713 13.706 1.00 0.00 H new ATOM 1047 N GLY A 71 2.676 -15.471 15.544 1.00 0.00 N ATOM 1048 CA GLY A 71 2.627 -15.013 16.922 1.00 0.00 C ATOM 1049 C GLY A 71 3.174 -13.589 17.046 1.00 0.00 C ATOM 1050 O GLY A 71 3.394 -13.099 18.153 1.00 0.00 O ATOM 0 H GLY A 71 2.121 -14.919 14.891 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.599 -15.044 17.283 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.207 -15.686 17.554 1.00 0.00 H new ATOM 1054 N ARG A 72 3.378 -12.965 15.895 1.00 0.00 N ATOM 1055 CA ARG A 72 3.895 -11.608 15.861 1.00 0.00 C ATOM 1056 C ARG A 72 2.933 -10.693 15.101 1.00 0.00 C ATOM 1057 O ARG A 72 2.382 -9.754 15.673 1.00 0.00 O ATOM 1058 CB ARG A 72 5.270 -11.559 15.192 1.00 0.00 C ATOM 1059 CG ARG A 72 6.309 -12.322 16.017 1.00 0.00 C ATOM 1060 CD ARG A 72 6.652 -13.662 15.363 1.00 0.00 C ATOM 1061 NE ARG A 72 7.933 -14.173 15.900 1.00 0.00 N ATOM 1062 CZ ARG A 72 8.051 -14.837 17.058 1.00 0.00 C ATOM 1063 NH1 ARG A 72 6.966 -15.073 17.808 1.00 0.00 N ATOM 1064 NH2 ARG A 72 9.254 -15.264 17.466 1.00 0.00 N ATOM 0 H ARG A 72 3.194 -13.375 14.979 1.00 0.00 H new ATOM 0 HA ARG A 72 3.992 -11.264 16.891 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.207 -11.989 14.192 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.584 -10.522 15.074 1.00 0.00 H new ATOM 0 HG2 ARG A 72 7.212 -11.720 16.117 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.926 -12.492 17.023 1.00 0.00 H new ATOM 0 HD2 ARG A 72 5.856 -14.382 15.551 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.724 -13.541 14.282 1.00 0.00 H new ATOM 0 HE ARG A 72 8.779 -14.009 15.354 1.00 0.00 H new ATOM 0 HH11 ARG A 72 6.051 -14.747 17.497 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.055 -15.578 18.689 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.080 -15.084 16.895 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.344 -15.769 18.347 1.00 0.00 H new TER 1078 ARG A 72