USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 635 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 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 33:sc= 0.414 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= -0.53 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 GLY N :NH3+ 132:sc= 0.00291 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS :FLIP no HD1:sc= -0.418 F(o=-2.7,f=-0.42) USER MOD Single : A 33 THR OG1 : rot -52:sc= -1.83 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.269 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HE2:sc= -4.41 K(o=-4.4,f=-6!) USER MOD Single : A 66 ASN : amide:sc= -0.044 K(o=-0.044,f=-3!) USER MOD Single : A 67 MET CE :methyl -117:sc= -0.0883 (180deg=-2.64) USER MOD Single : A 68 ASN : amide:sc= 0.347 X(o=0.35,f=0) USER MOD Single : A 70 SER OG : rot 126:sc= 0.0106 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= 0.0171 K(o=0.017,f=-2.9!) USER MOD Single : A 83 LYS NZ :NH3+ -148:sc= 0.202 (180deg=0.00284) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 -0.359 18.195 11.464 1.00 0.00 N ATOM 2 CA GLY A -2 -1.477 18.991 10.886 1.00 0.00 C ATOM 3 C GLY A -2 -1.212 19.399 9.451 1.00 0.00 C ATOM 4 O GLY A -2 -0.088 19.760 9.098 1.00 0.00 O ATOM 0 H1 GLY A -2 -0.108 18.576 12.399 1.00 0.00 H new ATOM 0 H2 GLY A -2 -0.654 17.203 11.563 1.00 0.00 H new ATOM 0 H3 GLY A -2 0.467 18.250 10.835 1.00 0.00 H new ATOM 0 HA2 GLY A -2 -2.397 18.408 10.931 1.00 0.00 H new ATOM 0 HA3 GLY A -2 -1.635 19.883 11.492 1.00 0.00 H new ATOM 10 N SER A -1 -2.248 19.340 8.619 1.00 0.00 N ATOM 11 CA SER A -1 -2.120 19.704 7.212 1.00 0.00 C ATOM 12 C SER A -1 -1.062 18.846 6.521 1.00 0.00 C ATOM 13 O SER A -1 0.119 19.194 6.505 1.00 0.00 O ATOM 14 CB SER A -1 -1.761 21.186 7.082 1.00 0.00 C ATOM 15 OG SER A -1 -2.882 22.008 7.356 1.00 0.00 O ATOM 0 H SER A -1 -3.184 19.044 8.895 1.00 0.00 H new ATOM 0 HA SER A -1 -3.078 19.525 6.725 1.00 0.00 H new ATOM 0 HB2 SER A -1 -0.951 21.429 7.770 1.00 0.00 H new ATOM 0 HB3 SER A -1 -1.395 21.388 6.075 1.00 0.00 H new ATOM 0 HG SER A -1 -2.626 22.950 7.268 1.00 0.00 H new ATOM 21 N THR A 3 -1.494 17.722 5.956 1.00 0.00 N ATOM 22 CA THR A 3 -0.585 16.810 5.268 1.00 0.00 C ATOM 23 C THR A 3 -0.512 17.133 3.776 1.00 0.00 C ATOM 24 O THR A 3 0.565 17.386 3.237 1.00 0.00 O ATOM 25 CB THR A 3 -1.033 15.364 5.479 1.00 0.00 C ATOM 26 OG1 THR A 3 -1.267 15.109 6.854 1.00 0.00 O ATOM 27 CG2 THR A 3 -0.021 14.353 4.992 1.00 0.00 C ATOM 0 H THR A 3 -2.468 17.421 5.961 1.00 0.00 H new ATOM 0 HA THR A 3 0.412 16.936 5.690 1.00 0.00 H new ATOM 0 HB THR A 3 -1.947 15.253 4.895 1.00 0.00 H new ATOM 0 HG1 THR A 3 -1.555 14.179 6.970 1.00 0.00 H new ATOM 0 HG21 THR A 3 -0.398 13.346 5.170 1.00 0.00 H new ATOM 0 HG22 THR A 3 0.149 14.493 3.924 1.00 0.00 H new ATOM 0 HG23 THR A 3 0.917 14.489 5.530 1.00 0.00 H new ATOM 35 N THR A 4 -1.669 17.133 3.121 1.00 0.00 N ATOM 36 CA THR A 4 -1.755 17.441 1.693 1.00 0.00 C ATOM 37 C THR A 4 -0.768 16.622 0.857 1.00 0.00 C ATOM 38 O THR A 4 0.192 17.166 0.309 1.00 0.00 O ATOM 39 CB THR A 4 -1.516 18.937 1.464 1.00 0.00 C ATOM 40 OG1 THR A 4 -0.392 19.387 2.198 1.00 0.00 O ATOM 41 CG2 THR A 4 -2.695 19.800 1.859 1.00 0.00 C ATOM 0 H THR A 4 -2.566 16.922 3.558 1.00 0.00 H new ATOM 0 HA THR A 4 -2.759 17.171 1.366 1.00 0.00 H new ATOM 0 HB THR A 4 -1.353 19.039 0.391 1.00 0.00 H new ATOM 0 HG1 THR A 4 0.268 18.665 2.261 1.00 0.00 H new ATOM 0 HG21 THR A 4 -2.458 20.847 1.671 1.00 0.00 H new ATOM 0 HG22 THR A 4 -3.568 19.514 1.272 1.00 0.00 H new ATOM 0 HG23 THR A 4 -2.909 19.661 2.919 1.00 0.00 H new ATOM 49 N LYS A 5 -1.019 15.318 0.738 1.00 0.00 N ATOM 50 CA LYS A 5 -0.159 14.438 -0.060 1.00 0.00 C ATOM 51 C LYS A 5 -0.997 13.432 -0.851 1.00 0.00 C ATOM 52 O LYS A 5 -2.222 13.530 -0.894 1.00 0.00 O ATOM 53 CB LYS A 5 0.848 13.684 0.820 1.00 0.00 C ATOM 54 CG LYS A 5 1.568 14.551 1.843 1.00 0.00 C ATOM 55 CD LYS A 5 2.982 14.890 1.395 1.00 0.00 C ATOM 56 CE LYS A 5 3.957 13.793 1.785 1.00 0.00 C ATOM 57 NZ LYS A 5 5.365 14.134 1.432 1.00 0.00 N ATOM 0 H LYS A 5 -1.808 14.847 1.182 1.00 0.00 H new ATOM 0 HA LYS A 5 0.394 15.072 -0.753 1.00 0.00 H new ATOM 0 HB2 LYS A 5 0.325 12.884 1.344 1.00 0.00 H new ATOM 0 HB3 LYS A 5 1.590 13.211 0.177 1.00 0.00 H new ATOM 0 HG2 LYS A 5 1.005 15.471 2.001 1.00 0.00 H new ATOM 0 HG3 LYS A 5 1.604 14.031 2.800 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.001 15.030 0.314 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.293 15.833 1.844 1.00 0.00 H new ATOM 0 HE2 LYS A 5 3.887 13.613 2.858 1.00 0.00 H new ATOM 0 HE3 LYS A 5 3.675 12.865 1.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 5.993 13.356 1.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.440 14.280 0.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.646 15.004 1.927 1.00 0.00 H new ATOM 71 N ARG A 6 -0.321 12.468 -1.477 1.00 0.00 N ATOM 72 CA ARG A 6 -1.001 11.443 -2.268 1.00 0.00 C ATOM 73 C ARG A 6 -0.475 10.045 -1.947 1.00 0.00 C ATOM 74 O ARG A 6 -0.999 9.050 -2.449 1.00 0.00 O ATOM 75 CB ARG A 6 -0.831 11.726 -3.762 1.00 0.00 C ATOM 76 CG ARG A 6 0.618 11.905 -4.189 1.00 0.00 C ATOM 77 CD ARG A 6 0.935 13.358 -4.527 1.00 0.00 C ATOM 78 NE ARG A 6 1.846 13.962 -3.557 1.00 0.00 N ATOM 79 CZ ARG A 6 2.510 15.095 -3.772 1.00 0.00 C ATOM 80 NH1 ARG A 6 2.362 15.754 -4.913 1.00 0.00 N ATOM 81 NH2 ARG A 6 3.326 15.571 -2.840 1.00 0.00 N ATOM 0 H ARG A 6 0.695 12.376 -1.452 1.00 0.00 H new ATOM 0 HA ARG A 6 -2.059 11.477 -2.009 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -1.269 10.906 -4.330 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -1.390 12.626 -4.018 1.00 0.00 H new ATOM 0 HG2 ARG A 6 1.277 11.566 -3.389 1.00 0.00 H new ATOM 0 HG3 ARG A 6 0.821 11.278 -5.057 1.00 0.00 H new ATOM 0 HD2 ARG A 6 1.379 13.410 -5.521 1.00 0.00 H new ATOM 0 HD3 ARG A 6 0.009 13.932 -4.561 1.00 0.00 H new ATOM 0 HE ARG A 6 1.981 13.488 -2.664 1.00 0.00 H new ATOM 0 HH11 ARG A 6 1.736 15.393 -5.633 1.00 0.00 H new ATOM 0 HH12 ARG A 6 2.874 16.622 -5.071 1.00 0.00 H new ATOM 0 HH21 ARG A 6 3.444 15.069 -1.960 1.00 0.00 H new ATOM 0 HH22 ARG A 6 3.836 16.439 -3.003 1.00 0.00 H new ATOM 95 N VAL A 7 0.557 9.968 -1.109 1.00 0.00 N ATOM 96 CA VAL A 7 1.132 8.689 -0.729 1.00 0.00 C ATOM 97 C VAL A 7 0.332 8.060 0.407 1.00 0.00 C ATOM 98 O VAL A 7 0.129 8.678 1.451 1.00 0.00 O ATOM 99 CB VAL A 7 2.607 8.832 -0.303 1.00 0.00 C ATOM 100 CG1 VAL A 7 3.515 8.882 -1.524 1.00 0.00 C ATOM 101 CG2 VAL A 7 2.806 10.065 0.565 1.00 0.00 C ATOM 0 H VAL A 7 1.008 10.778 -0.683 1.00 0.00 H new ATOM 0 HA VAL A 7 1.090 8.042 -1.605 1.00 0.00 H new ATOM 0 HB VAL A 7 2.874 7.957 0.289 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.552 8.983 -1.203 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.401 7.963 -2.100 1.00 0.00 H new ATOM 0 HG13 VAL A 7 3.243 9.735 -2.145 1.00 0.00 H new ATOM 0 HG21 VAL A 7 3.855 10.143 0.852 1.00 0.00 H new ATOM 0 HG22 VAL A 7 2.516 10.954 0.006 1.00 0.00 H new ATOM 0 HG23 VAL A 7 2.190 9.983 1.461 1.00 0.00 H new ATOM 111 N LEU A 8 -0.140 6.836 0.184 1.00 0.00 N ATOM 112 CA LEU A 8 -0.944 6.123 1.175 1.00 0.00 C ATOM 113 C LEU A 8 -0.215 4.904 1.729 1.00 0.00 C ATOM 114 O LEU A 8 0.732 4.402 1.126 1.00 0.00 O ATOM 115 CB LEU A 8 -2.269 5.687 0.553 1.00 0.00 C ATOM 116 CG LEU A 8 -2.976 6.755 -0.276 1.00 0.00 C ATOM 117 CD1 LEU A 8 -4.315 6.234 -0.771 1.00 0.00 C ATOM 118 CD2 LEU A 8 -3.163 8.028 0.537 1.00 0.00 C ATOM 0 H LEU A 8 0.021 6.315 -0.678 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.128 6.808 2.003 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.087 4.819 -0.080 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.939 5.365 1.351 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.355 6.992 -1.140 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.810 7.005 -1.361 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.156 5.350 -1.389 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.941 5.972 0.082 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.669 8.777 -0.072 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.765 7.811 1.420 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.190 8.409 0.846 1.00 0.00 H new ATOM 130 N TYR A 9 -0.673 4.431 2.886 1.00 0.00 N ATOM 131 CA TYR A 9 -0.081 3.263 3.535 1.00 0.00 C ATOM 132 C TYR A 9 -1.076 2.110 3.584 1.00 0.00 C ATOM 133 O TYR A 9 -2.242 2.311 3.897 1.00 0.00 O ATOM 134 CB TYR A 9 0.371 3.608 4.957 1.00 0.00 C ATOM 135 CG TYR A 9 1.236 2.539 5.594 1.00 0.00 C ATOM 136 CD1 TYR A 9 0.733 1.271 5.866 1.00 0.00 C ATOM 137 CD2 TYR A 9 2.561 2.798 5.914 1.00 0.00 C ATOM 138 CE1 TYR A 9 1.527 0.296 6.441 1.00 0.00 C ATOM 139 CE2 TYR A 9 3.362 1.826 6.485 1.00 0.00 C ATOM 140 CZ TYR A 9 2.841 0.578 6.746 1.00 0.00 C ATOM 141 OH TYR A 9 3.634 -0.393 7.314 1.00 0.00 O ATOM 0 H TYR A 9 -1.456 4.841 3.395 1.00 0.00 H new ATOM 0 HA TYR A 9 0.786 2.959 2.948 1.00 0.00 H new ATOM 0 HB2 TYR A 9 0.925 4.547 4.936 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -0.509 3.771 5.580 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -0.295 1.044 5.624 1.00 0.00 H new ATOM 0 HD2 TYR A 9 2.974 3.776 5.714 1.00 0.00 H new ATOM 0 HE1 TYR A 9 1.119 -0.682 6.650 1.00 0.00 H new ATOM 0 HE2 TYR A 9 4.392 2.045 6.725 1.00 0.00 H new ATOM 0 HH TYR A 9 4.533 -0.034 7.466 1.00 0.00 H new ATOM 151 N VAL A 10 -0.609 0.904 3.287 1.00 0.00 N ATOM 152 CA VAL A 10 -1.473 -0.273 3.315 1.00 0.00 C ATOM 153 C VAL A 10 -1.124 -1.158 4.506 1.00 0.00 C ATOM 154 O VAL A 10 0.026 -1.571 4.667 1.00 0.00 O ATOM 155 CB VAL A 10 -1.343 -1.103 2.025 1.00 0.00 C ATOM 156 CG1 VAL A 10 -2.411 -2.184 1.980 1.00 0.00 C ATOM 157 CG2 VAL A 10 -1.426 -0.206 0.798 1.00 0.00 C ATOM 0 H VAL A 10 0.358 0.714 3.025 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.500 0.083 3.401 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.367 -1.587 2.022 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.305 -2.762 1.062 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.297 -2.844 2.840 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.398 -1.722 2.006 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.332 -0.812 -0.103 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -2.386 0.311 0.789 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.620 0.527 0.828 1.00 0.00 H new ATOM 167 N GLY A 11 -2.114 -1.434 5.352 1.00 0.00 N ATOM 168 CA GLY A 11 -1.876 -2.254 6.527 1.00 0.00 C ATOM 169 C GLY A 11 -2.832 -3.428 6.646 1.00 0.00 C ATOM 170 O GLY A 11 -4.039 -3.244 6.791 1.00 0.00 O ATOM 0 H GLY A 11 -3.074 -1.105 5.245 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -0.853 -2.629 6.498 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -1.962 -1.633 7.418 1.00 0.00 H new ATOM 174 N GLY A 12 -2.287 -4.642 6.584 1.00 0.00 N ATOM 175 CA GLY A 12 -3.102 -5.839 6.688 1.00 0.00 C ATOM 176 C GLY A 12 -2.993 -6.679 5.439 1.00 0.00 C ATOM 177 O GLY A 12 -3.987 -7.194 4.931 1.00 0.00 O ATOM 0 H GLY A 12 -1.289 -4.817 6.463 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.787 -6.424 7.552 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -4.143 -5.561 6.854 1.00 0.00 H new ATOM 181 N LEU A 13 -1.775 -6.781 4.929 1.00 0.00 N ATOM 182 CA LEU A 13 -1.510 -7.518 3.711 1.00 0.00 C ATOM 183 C LEU A 13 -1.065 -8.954 3.975 1.00 0.00 C ATOM 184 O LEU A 13 -0.990 -9.407 5.118 1.00 0.00 O ATOM 185 CB LEU A 13 -0.414 -6.803 2.929 1.00 0.00 C ATOM 186 CG LEU A 13 -0.784 -5.445 2.322 1.00 0.00 C ATOM 187 CD1 LEU A 13 0.428 -4.829 1.637 1.00 0.00 C ATOM 188 CD2 LEU A 13 -1.942 -5.579 1.338 1.00 0.00 C ATOM 0 H LEU A 13 -0.948 -6.356 5.349 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.442 -7.560 3.147 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.440 -6.660 3.591 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.086 -7.459 2.123 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.106 -4.787 3.130 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.153 -3.865 1.209 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.226 -4.689 2.366 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.774 -5.492 0.844 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.182 -4.600 0.923 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.658 -6.255 0.531 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.815 -5.978 1.855 1.00 0.00 H new ATOM 200 N ALA A 14 -0.749 -9.647 2.885 1.00 0.00 N ATOM 201 CA ALA A 14 -0.278 -11.024 2.936 1.00 0.00 C ATOM 202 C ALA A 14 0.944 -11.182 2.036 1.00 0.00 C ATOM 203 O ALA A 14 1.469 -10.196 1.517 1.00 0.00 O ATOM 204 CB ALA A 14 -1.387 -11.971 2.504 1.00 0.00 C ATOM 0 H ALA A 14 -0.813 -9.267 1.941 1.00 0.00 H new ATOM 0 HA ALA A 14 0.005 -11.271 3.959 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.025 -12.998 2.545 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.241 -11.860 3.172 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.691 -11.734 1.484 1.00 0.00 H new ATOM 210 N GLU A 15 1.394 -12.415 1.843 1.00 0.00 N ATOM 211 CA GLU A 15 2.550 -12.668 0.990 1.00 0.00 C ATOM 212 C GLU A 15 2.143 -12.737 -0.484 1.00 0.00 C ATOM 213 O GLU A 15 2.967 -13.044 -1.345 1.00 0.00 O ATOM 214 CB GLU A 15 3.231 -13.981 1.387 1.00 0.00 C ATOM 215 CG GLU A 15 3.963 -13.914 2.715 1.00 0.00 C ATOM 216 CD GLU A 15 4.215 -15.288 3.307 1.00 0.00 C ATOM 217 OE1 GLU A 15 4.496 -16.224 2.530 1.00 0.00 O ATOM 218 OE2 GLU A 15 4.133 -15.427 4.546 1.00 0.00 O ATOM 0 H GLU A 15 0.981 -13.249 2.261 1.00 0.00 H new ATOM 0 HA GLU A 15 3.247 -11.841 1.125 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.479 -14.769 1.436 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.938 -14.263 0.607 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.915 -13.401 2.577 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.380 -13.320 3.419 1.00 0.00 H new ATOM 225 N GLU A 16 0.868 -12.478 -0.767 1.00 0.00 N ATOM 226 CA GLU A 16 0.356 -12.541 -2.135 1.00 0.00 C ATOM 227 C GLU A 16 0.267 -11.156 -2.783 1.00 0.00 C ATOM 228 O GLU A 16 0.225 -11.041 -4.008 1.00 0.00 O ATOM 229 CB GLU A 16 -1.027 -13.208 -2.143 1.00 0.00 C ATOM 230 CG GLU A 16 -1.343 -13.961 -0.862 1.00 0.00 C ATOM 231 CD GLU A 16 -2.533 -14.891 -1.005 1.00 0.00 C ATOM 232 OE1 GLU A 16 -2.623 -15.587 -2.037 1.00 0.00 O ATOM 233 OE2 GLU A 16 -3.374 -14.923 -0.082 1.00 0.00 O ATOM 0 H GLU A 16 0.171 -12.223 -0.068 1.00 0.00 H new ATOM 0 HA GLU A 16 1.059 -13.133 -2.721 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.789 -12.445 -2.304 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.084 -13.898 -2.985 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.470 -14.540 -0.561 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.541 -13.245 -0.064 1.00 0.00 H new ATOM 240 N VAL A 17 0.222 -10.110 -1.963 1.00 0.00 N ATOM 241 CA VAL A 17 0.122 -8.747 -2.467 1.00 0.00 C ATOM 242 C VAL A 17 1.492 -8.128 -2.692 1.00 0.00 C ATOM 243 O VAL A 17 2.452 -8.402 -1.972 1.00 0.00 O ATOM 244 CB VAL A 17 -0.688 -7.854 -1.506 1.00 0.00 C ATOM 245 CG1 VAL A 17 -0.049 -7.839 -0.134 1.00 0.00 C ATOM 246 CG2 VAL A 17 -0.842 -6.431 -2.046 1.00 0.00 C ATOM 0 H VAL A 17 0.253 -10.182 -0.946 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.396 -8.806 -3.424 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.688 -8.280 -1.424 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.633 -7.204 0.532 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.019 -8.853 0.265 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.966 -7.449 -0.210 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.419 -5.834 -1.339 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.143 -5.984 -2.179 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.360 -6.460 -3.004 1.00 0.00 H new ATOM 256 N ASP A 18 1.553 -7.287 -3.709 1.00 0.00 N ATOM 257 CA ASP A 18 2.776 -6.594 -4.085 1.00 0.00 C ATOM 258 C ASP A 18 2.437 -5.280 -4.783 1.00 0.00 C ATOM 259 O ASP A 18 1.268 -4.905 -4.885 1.00 0.00 O ATOM 260 CB ASP A 18 3.621 -7.482 -5.006 1.00 0.00 C ATOM 261 CG ASP A 18 4.983 -7.801 -4.417 1.00 0.00 C ATOM 262 OD1 ASP A 18 5.052 -8.659 -3.515 1.00 0.00 O ATOM 263 OD2 ASP A 18 5.978 -7.195 -4.865 1.00 0.00 O ATOM 0 H ASP A 18 0.753 -7.063 -4.301 1.00 0.00 H new ATOM 0 HA ASP A 18 3.351 -6.375 -3.185 1.00 0.00 H new ATOM 0 HB2 ASP A 18 3.086 -8.412 -5.200 1.00 0.00 H new ATOM 0 HB3 ASP A 18 3.752 -6.983 -5.966 1.00 0.00 H new ATOM 268 N ASP A 19 3.459 -4.593 -5.278 1.00 0.00 N ATOM 269 CA ASP A 19 3.258 -3.330 -5.979 1.00 0.00 C ATOM 270 C ASP A 19 2.464 -3.564 -7.255 1.00 0.00 C ATOM 271 O ASP A 19 1.720 -2.698 -7.712 1.00 0.00 O ATOM 272 CB ASP A 19 4.603 -2.670 -6.299 1.00 0.00 C ATOM 273 CG ASP A 19 5.520 -3.571 -7.101 1.00 0.00 C ATOM 274 OD1 ASP A 19 5.437 -3.546 -8.346 1.00 0.00 O ATOM 275 OD2 ASP A 19 6.322 -4.303 -6.483 1.00 0.00 O ATOM 0 H ASP A 19 4.433 -4.888 -5.208 1.00 0.00 H new ATOM 0 HA ASP A 19 2.695 -2.658 -5.332 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.428 -1.749 -6.855 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.097 -2.391 -5.368 1.00 0.00 H new ATOM 280 N LYS A 20 2.636 -4.751 -7.820 1.00 0.00 N ATOM 281 CA LYS A 20 1.952 -5.138 -9.042 1.00 0.00 C ATOM 282 C LYS A 20 0.450 -5.213 -8.827 1.00 0.00 C ATOM 283 O LYS A 20 -0.332 -4.657 -9.598 1.00 0.00 O ATOM 284 CB LYS A 20 2.474 -6.505 -9.467 1.00 0.00 C ATOM 285 CG LYS A 20 3.979 -6.552 -9.658 1.00 0.00 C ATOM 286 CD LYS A 20 4.479 -5.349 -10.442 1.00 0.00 C ATOM 287 CE LYS A 20 5.994 -5.352 -10.581 1.00 0.00 C ATOM 288 NZ LYS A 20 6.422 -5.646 -11.976 1.00 0.00 N ATOM 0 H LYS A 20 3.253 -5.471 -7.443 1.00 0.00 H new ATOM 0 HA LYS A 20 2.144 -4.392 -9.813 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.189 -7.242 -8.716 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.989 -6.795 -10.399 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.469 -6.583 -8.685 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.252 -7.468 -10.182 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.024 -5.346 -11.432 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.162 -4.433 -9.943 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.389 -4.383 -10.277 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.419 -6.095 -9.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.461 -5.639 -12.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.067 -6.582 -12.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.038 -4.923 -12.617 1.00 0.00 H new ATOM 302 N VAL A 21 0.058 -5.893 -7.762 1.00 0.00 N ATOM 303 CA VAL A 21 -1.351 -6.030 -7.424 1.00 0.00 C ATOM 304 C VAL A 21 -1.894 -4.704 -6.918 1.00 0.00 C ATOM 305 O VAL A 21 -2.992 -4.290 -7.277 1.00 0.00 O ATOM 306 CB VAL A 21 -1.598 -7.148 -6.387 1.00 0.00 C ATOM 307 CG1 VAL A 21 -1.593 -6.601 -4.966 1.00 0.00 C ATOM 308 CG2 VAL A 21 -2.905 -7.876 -6.682 1.00 0.00 C ATOM 0 H VAL A 21 0.695 -6.359 -7.116 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.881 -6.316 -8.332 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.779 -7.863 -6.468 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.770 -7.414 -4.262 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.627 -6.143 -4.756 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.379 -5.853 -4.861 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.060 -8.660 -5.940 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.733 -7.168 -6.641 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -2.857 -8.321 -7.676 1.00 0.00 H new ATOM 318 N LEU A 22 -1.095 -4.032 -6.092 1.00 0.00 N ATOM 319 CA LEU A 22 -1.483 -2.739 -5.547 1.00 0.00 C ATOM 320 C LEU A 22 -1.696 -1.765 -6.688 1.00 0.00 C ATOM 321 O LEU A 22 -2.588 -0.920 -6.648 1.00 0.00 O ATOM 322 CB LEU A 22 -0.406 -2.207 -4.596 1.00 0.00 C ATOM 323 CG LEU A 22 -0.334 -2.929 -3.246 1.00 0.00 C ATOM 324 CD1 LEU A 22 1.112 -3.213 -2.846 1.00 0.00 C ATOM 325 CD2 LEU A 22 -1.031 -2.121 -2.164 1.00 0.00 C ATOM 0 H LEU A 22 -0.179 -4.362 -5.788 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.408 -2.853 -4.982 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.564 -2.285 -5.087 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.589 -1.147 -4.417 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.850 -3.883 -3.355 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.129 -3.726 -1.884 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.582 -3.843 -3.602 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.659 -2.273 -2.766 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.967 -2.653 -1.215 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.548 -1.148 -2.068 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.078 -1.981 -2.432 1.00 0.00 H new ATOM 337 N HIS A 23 -0.877 -1.912 -7.723 1.00 0.00 N ATOM 338 CA HIS A 23 -0.982 -1.069 -8.898 1.00 0.00 C ATOM 339 C HIS A 23 -2.359 -1.238 -9.530 1.00 0.00 C ATOM 340 O HIS A 23 -3.100 -0.275 -9.700 1.00 0.00 O ATOM 341 CB HIS A 23 0.100 -1.473 -9.902 1.00 0.00 C ATOM 342 CG HIS A 23 1.250 -0.518 -9.991 1.00 0.00 C ATOM 343 ND1 HIS A 23 1.391 0.747 -9.532 1.00 0.00 N flip ATOM 344 CD2 HIS A 23 2.433 -0.827 -10.626 1.00 0.00 C flip ATOM 345 CE1 HIS A 23 2.644 1.174 -9.897 1.00 0.00 C flip ATOM 346 NE2 HIS A 23 3.252 0.206 -10.555 1.00 0.00 N flip ATOM 0 H HIS A 23 -0.134 -2.609 -7.768 1.00 0.00 H new ATOM 0 HA HIS A 23 -0.847 -0.025 -8.614 1.00 0.00 H new ATOM 0 HB2 HIS A 23 0.481 -2.457 -9.630 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -0.354 -1.568 -10.888 1.00 0.00 H new ATOM 0 HD2 HIS A 23 2.656 -1.768 -11.107 1.00 0.00 H new ATOM 0 HE1 HIS A 23 3.064 2.145 -9.680 1.00 0.00 H new ATOM 0 HE2 HIS A 23 4.194 0.248 -10.943 1.00 0.00 H new ATOM 355 N ALA A 24 -2.688 -2.482 -9.854 1.00 0.00 N ATOM 356 CA ALA A 24 -3.974 -2.823 -10.457 1.00 0.00 C ATOM 357 C ALA A 24 -5.141 -2.615 -9.491 1.00 0.00 C ATOM 358 O ALA A 24 -6.211 -2.154 -9.885 1.00 0.00 O ATOM 359 CB ALA A 24 -3.951 -4.259 -10.962 1.00 0.00 C ATOM 0 H ALA A 24 -2.074 -3.283 -9.707 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.130 -2.147 -11.297 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.915 -4.503 -11.410 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.165 -4.369 -11.709 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.757 -4.935 -10.129 1.00 0.00 H new ATOM 365 N ALA A 25 -4.937 -2.981 -8.228 1.00 0.00 N ATOM 366 CA ALA A 25 -5.982 -2.857 -7.217 1.00 0.00 C ATOM 367 C ALA A 25 -6.262 -1.411 -6.852 1.00 0.00 C ATOM 368 O ALA A 25 -7.409 -1.042 -6.596 1.00 0.00 O ATOM 369 CB ALA A 25 -5.610 -3.630 -5.961 1.00 0.00 C ATOM 0 H ALA A 25 -4.058 -3.365 -7.881 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.888 -3.277 -7.653 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.403 -3.524 -5.220 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.482 -4.684 -6.207 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.678 -3.237 -5.554 1.00 0.00 H new ATOM 375 N PHE A 26 -5.220 -0.596 -6.794 1.00 0.00 N ATOM 376 CA PHE A 26 -5.389 0.797 -6.419 1.00 0.00 C ATOM 377 C PHE A 26 -5.515 1.723 -7.631 1.00 0.00 C ATOM 378 O PHE A 26 -5.819 2.907 -7.477 1.00 0.00 O ATOM 379 CB PHE A 26 -4.239 1.229 -5.510 1.00 0.00 C ATOM 380 CG PHE A 26 -4.241 0.528 -4.178 1.00 0.00 C ATOM 381 CD1 PHE A 26 -4.123 -0.857 -4.093 1.00 0.00 C ATOM 382 CD2 PHE A 26 -4.364 1.256 -3.005 1.00 0.00 C ATOM 383 CE1 PHE A 26 -4.129 -1.490 -2.864 1.00 0.00 C ATOM 384 CE2 PHE A 26 -4.369 0.627 -1.777 1.00 0.00 C ATOM 385 CZ PHE A 26 -4.253 -0.747 -1.706 1.00 0.00 C ATOM 0 H PHE A 26 -4.260 -0.872 -6.999 1.00 0.00 H new ATOM 0 HA PHE A 26 -6.329 0.882 -5.875 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.293 1.034 -6.015 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.298 2.305 -5.347 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -4.026 -1.442 -4.996 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.457 2.331 -3.053 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.037 -2.565 -2.809 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.464 1.209 -0.872 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.259 -1.241 -0.745 1.00 0.00 H new ATOM 395 N ILE A 27 -5.294 1.194 -8.840 1.00 0.00 N ATOM 396 CA ILE A 27 -5.407 2.010 -10.052 1.00 0.00 C ATOM 397 C ILE A 27 -6.837 2.529 -10.255 1.00 0.00 C ATOM 398 O ILE A 27 -7.019 3.676 -10.663 1.00 0.00 O ATOM 399 CB ILE A 27 -4.910 1.265 -11.324 1.00 0.00 C ATOM 400 CG1 ILE A 27 -4.433 2.269 -12.370 1.00 0.00 C ATOM 401 CG2 ILE A 27 -5.970 0.356 -11.919 1.00 0.00 C ATOM 402 CD1 ILE A 27 -2.973 2.629 -12.219 1.00 0.00 C ATOM 0 H ILE A 27 -5.040 0.220 -9.003 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.750 2.866 -9.901 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.078 0.631 -11.018 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -4.599 1.856 -13.365 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -5.035 3.175 -12.297 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -5.570 -0.139 -12.804 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.260 -0.394 -11.184 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -6.842 0.948 -12.197 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.693 3.346 -12.991 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.807 3.070 -11.236 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.364 1.731 -12.321 1.00 0.00 H new ATOM 414 N PRO A 28 -7.885 1.713 -9.971 1.00 0.00 N ATOM 415 CA PRO A 28 -9.272 2.160 -10.136 1.00 0.00 C ATOM 416 C PRO A 28 -9.583 3.341 -9.233 1.00 0.00 C ATOM 417 O PRO A 28 -10.263 4.286 -9.634 1.00 0.00 O ATOM 418 CB PRO A 28 -10.107 0.943 -9.726 1.00 0.00 C ATOM 419 CG PRO A 28 -9.192 0.112 -8.896 1.00 0.00 C ATOM 420 CD PRO A 28 -7.822 0.324 -9.469 1.00 0.00 C ATOM 0 HA PRO A 28 -9.476 2.496 -11.153 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -10.990 1.242 -9.161 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.458 0.393 -10.599 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -9.230 0.414 -7.849 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -9.475 -0.940 -8.935 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -7.045 0.202 -8.714 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -7.604 -0.385 -10.268 1.00 0.00 H new ATOM 428 N PHE A 29 -9.064 3.286 -8.014 1.00 0.00 N ATOM 429 CA PHE A 29 -9.266 4.355 -7.051 1.00 0.00 C ATOM 430 C PHE A 29 -8.405 5.558 -7.426 1.00 0.00 C ATOM 431 O PHE A 29 -8.691 6.689 -7.036 1.00 0.00 O ATOM 432 CB PHE A 29 -8.918 3.887 -5.633 1.00 0.00 C ATOM 433 CG PHE A 29 -9.135 2.417 -5.398 1.00 0.00 C ATOM 434 CD1 PHE A 29 -10.262 1.779 -5.892 1.00 0.00 C ATOM 435 CD2 PHE A 29 -8.211 1.674 -4.677 1.00 0.00 C ATOM 436 CE1 PHE A 29 -10.464 0.429 -5.671 1.00 0.00 C ATOM 437 CE2 PHE A 29 -8.408 0.326 -4.456 1.00 0.00 C ATOM 438 CZ PHE A 29 -9.536 -0.298 -4.951 1.00 0.00 C ATOM 0 H PHE A 29 -8.499 2.510 -7.670 1.00 0.00 H new ATOM 0 HA PHE A 29 -10.318 4.641 -7.069 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.874 4.126 -5.430 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -9.519 4.450 -4.919 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -10.991 2.343 -6.456 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -7.328 2.156 -4.284 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -11.346 -0.056 -6.061 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -7.680 -0.241 -3.896 1.00 0.00 H new ATOM 0 HZ PHE A 29 -9.692 -1.352 -4.776 1.00 0.00 H new ATOM 448 N GLY A 30 -7.342 5.295 -8.185 1.00 0.00 N ATOM 449 CA GLY A 30 -6.446 6.347 -8.606 1.00 0.00 C ATOM 450 C GLY A 30 -5.195 5.783 -9.245 1.00 0.00 C ATOM 451 O GLY A 30 -4.554 4.894 -8.685 1.00 0.00 O ATOM 0 H GLY A 30 -7.089 4.363 -8.515 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.956 7.000 -9.315 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.173 6.960 -7.747 1.00 0.00 H new ATOM 455 N ASP A 31 -4.852 6.284 -10.421 1.00 0.00 N ATOM 456 CA ASP A 31 -3.679 5.799 -11.131 1.00 0.00 C ATOM 457 C ASP A 31 -2.415 6.009 -10.315 1.00 0.00 C ATOM 458 O ASP A 31 -1.896 7.122 -10.208 1.00 0.00 O ATOM 459 CB ASP A 31 -3.548 6.470 -12.496 1.00 0.00 C ATOM 460 CG ASP A 31 -4.879 6.607 -13.211 1.00 0.00 C ATOM 461 OD1 ASP A 31 -5.729 5.705 -13.060 1.00 0.00 O ATOM 462 OD2 ASP A 31 -5.070 7.615 -13.922 1.00 0.00 O ATOM 0 H ASP A 31 -5.366 7.022 -10.902 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.810 4.728 -11.285 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -3.105 7.458 -12.370 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.865 5.891 -13.117 1.00 0.00 H new ATOM 467 N ILE A 32 -1.933 4.920 -9.744 1.00 0.00 N ATOM 468 CA ILE A 32 -0.730 4.939 -8.928 1.00 0.00 C ATOM 469 C ILE A 32 0.468 5.436 -9.726 1.00 0.00 C ATOM 470 O ILE A 32 0.533 5.276 -10.944 1.00 0.00 O ATOM 471 CB ILE A 32 -0.435 3.525 -8.389 1.00 0.00 C ATOM 472 CG1 ILE A 32 -1.603 3.039 -7.536 1.00 0.00 C ATOM 473 CG2 ILE A 32 0.869 3.471 -7.597 1.00 0.00 C ATOM 474 CD1 ILE A 32 -2.512 2.084 -8.267 1.00 0.00 C ATOM 0 H ILE A 32 -2.362 3.999 -9.832 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.900 5.622 -8.096 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.314 2.862 -9.246 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.214 2.549 -6.643 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.183 3.899 -7.201 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.035 2.455 -7.237 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.698 3.768 -8.240 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.807 4.151 -6.747 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.322 1.775 -7.606 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.928 2.578 -9.145 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.944 1.207 -8.579 1.00 0.00 H new ATOM 486 N THR A 33 1.421 6.029 -9.018 1.00 0.00 N ATOM 487 CA THR A 33 2.633 6.546 -9.636 1.00 0.00 C ATOM 488 C THR A 33 3.860 5.861 -9.072 1.00 0.00 C ATOM 489 O THR A 33 4.862 5.690 -9.768 1.00 0.00 O ATOM 490 CB THR A 33 2.752 8.044 -9.410 1.00 0.00 C ATOM 491 OG1 THR A 33 1.497 8.610 -9.062 1.00 0.00 O ATOM 492 CG2 THR A 33 3.293 8.790 -10.616 1.00 0.00 C ATOM 0 H THR A 33 1.376 6.164 -8.008 1.00 0.00 H new ATOM 0 HA THR A 33 2.570 6.345 -10.705 1.00 0.00 H new ATOM 0 HB THR A 33 3.462 8.156 -8.591 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.824 8.346 -9.724 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.353 9.854 -10.389 1.00 0.00 H new ATOM 0 HG22 THR A 33 4.287 8.414 -10.860 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.628 8.638 -11.466 1.00 0.00 H new ATOM 500 N ASP A 34 3.789 5.474 -7.805 1.00 0.00 N ATOM 501 CA ASP A 34 4.914 4.819 -7.175 1.00 0.00 C ATOM 502 C ASP A 34 4.479 3.916 -6.025 1.00 0.00 C ATOM 503 O ASP A 34 3.526 4.215 -5.307 1.00 0.00 O ATOM 504 CB ASP A 34 5.911 5.862 -6.668 1.00 0.00 C ATOM 505 CG ASP A 34 7.347 5.489 -6.980 1.00 0.00 C ATOM 506 OD1 ASP A 34 7.715 5.491 -8.174 1.00 0.00 O ATOM 507 OD2 ASP A 34 8.102 5.194 -6.031 1.00 0.00 O ATOM 0 H ASP A 34 2.974 5.602 -7.205 1.00 0.00 H new ATOM 0 HA ASP A 34 5.390 4.190 -7.927 1.00 0.00 H new ATOM 0 HB2 ASP A 34 5.683 6.828 -7.119 1.00 0.00 H new ATOM 0 HB3 ASP A 34 5.795 5.978 -5.590 1.00 0.00 H new ATOM 512 N ILE A 35 5.201 2.818 -5.844 1.00 0.00 N ATOM 513 CA ILE A 35 4.917 1.879 -4.769 1.00 0.00 C ATOM 514 C ILE A 35 6.220 1.344 -4.191 1.00 0.00 C ATOM 515 O ILE A 35 7.018 0.729 -4.899 1.00 0.00 O ATOM 516 CB ILE A 35 4.044 0.704 -5.252 1.00 0.00 C ATOM 517 CG1 ILE A 35 2.814 1.232 -5.996 1.00 0.00 C ATOM 518 CG2 ILE A 35 3.628 -0.161 -4.070 1.00 0.00 C ATOM 519 CD1 ILE A 35 1.869 0.144 -6.465 1.00 0.00 C ATOM 0 H ILE A 35 5.992 2.556 -6.432 1.00 0.00 H new ATOM 0 HA ILE A 35 4.362 2.415 -3.999 1.00 0.00 H new ATOM 0 HB ILE A 35 4.625 0.090 -5.940 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.271 1.915 -5.343 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.144 1.811 -6.859 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.012 -0.988 -4.423 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.517 -0.555 -3.577 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.057 0.440 -3.362 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.023 0.595 -6.983 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.395 -0.526 -7.145 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.509 -0.421 -5.605 1.00 0.00 H new ATOM 531 N GLN A 36 6.448 1.604 -2.907 1.00 0.00 N ATOM 532 CA GLN A 36 7.677 1.170 -2.250 1.00 0.00 C ATOM 533 C GLN A 36 7.401 0.262 -1.055 1.00 0.00 C ATOM 534 O GLN A 36 6.598 0.588 -0.182 1.00 0.00 O ATOM 535 CB GLN A 36 8.488 2.390 -1.798 1.00 0.00 C ATOM 536 CG GLN A 36 9.913 2.406 -2.327 1.00 0.00 C ATOM 537 CD GLN A 36 10.884 1.691 -1.409 1.00 0.00 C ATOM 538 OE1 GLN A 36 11.317 0.573 -1.692 1.00 0.00 O ATOM 539 NE2 GLN A 36 11.234 2.333 -0.301 1.00 0.00 N ATOM 0 H GLN A 36 5.801 2.111 -2.303 1.00 0.00 H new ATOM 0 HA GLN A 36 8.249 0.593 -2.977 1.00 0.00 H new ATOM 0 HB2 GLN A 36 7.978 3.296 -2.125 1.00 0.00 H new ATOM 0 HB3 GLN A 36 8.514 2.415 -0.709 1.00 0.00 H new ATOM 0 HG2 GLN A 36 9.937 1.937 -3.311 1.00 0.00 H new ATOM 0 HG3 GLN A 36 10.236 3.439 -2.458 1.00 0.00 H new ATOM 0 HE21 GLN A 36 10.852 3.258 -0.105 1.00 0.00 H new ATOM 0 HE22 GLN A 36 11.885 1.901 0.354 1.00 0.00 H new ATOM 548 N ILE A 37 8.095 -0.869 -1.021 1.00 0.00 N ATOM 549 CA ILE A 37 7.961 -1.826 0.070 1.00 0.00 C ATOM 550 C ILE A 37 9.324 -2.040 0.737 1.00 0.00 C ATOM 551 O ILE A 37 10.214 -2.655 0.152 1.00 0.00 O ATOM 552 CB ILE A 37 7.421 -3.182 -0.436 1.00 0.00 C ATOM 553 CG1 ILE A 37 6.123 -2.982 -1.237 1.00 0.00 C ATOM 554 CG2 ILE A 37 7.197 -4.137 0.735 1.00 0.00 C ATOM 555 CD1 ILE A 37 6.159 -3.593 -2.622 1.00 0.00 C ATOM 0 H ILE A 37 8.761 -1.147 -1.742 1.00 0.00 H new ATOM 0 HA ILE A 37 7.251 -1.420 0.790 1.00 0.00 H new ATOM 0 HB ILE A 37 8.163 -3.625 -1.100 1.00 0.00 H new ATOM 0 HG12 ILE A 37 5.293 -3.416 -0.680 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.923 -1.914 -1.326 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.816 -5.088 0.362 1.00 0.00 H new ATOM 0 HG22 ILE A 37 8.141 -4.303 1.255 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.474 -3.703 1.425 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.209 -3.411 -3.125 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.967 -3.142 -3.198 1.00 0.00 H new ATOM 0 HD13 ILE A 37 6.327 -4.667 -2.542 1.00 0.00 H new ATOM 567 N PRO A 38 9.514 -1.521 1.966 1.00 0.00 N ATOM 568 CA PRO A 38 10.787 -1.648 2.688 1.00 0.00 C ATOM 569 C PRO A 38 10.997 -3.031 3.295 1.00 0.00 C ATOM 570 O PRO A 38 10.040 -3.748 3.584 1.00 0.00 O ATOM 571 CB PRO A 38 10.668 -0.598 3.790 1.00 0.00 C ATOM 572 CG PRO A 38 9.206 -0.508 4.060 1.00 0.00 C ATOM 573 CD PRO A 38 8.521 -0.749 2.740 1.00 0.00 C ATOM 0 HA PRO A 38 11.640 -1.508 2.024 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.219 -0.894 4.682 1.00 0.00 H new ATOM 0 HB3 PRO A 38 11.073 0.362 3.469 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.900 -1.249 4.799 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.944 0.471 4.462 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.592 -1.305 2.867 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.267 0.188 2.244 1.00 0.00 H new ATOM 581 N LEU A 39 12.262 -3.394 3.488 1.00 0.00 N ATOM 582 CA LEU A 39 12.615 -4.686 4.063 1.00 0.00 C ATOM 583 C LEU A 39 13.749 -4.537 5.070 1.00 0.00 C ATOM 584 O LEU A 39 14.382 -3.485 5.159 1.00 0.00 O ATOM 585 CB LEU A 39 13.021 -5.661 2.958 1.00 0.00 C ATOM 586 CG LEU A 39 11.919 -5.966 1.940 1.00 0.00 C ATOM 587 CD1 LEU A 39 12.400 -5.708 0.519 1.00 0.00 C ATOM 588 CD2 LEU A 39 11.435 -7.400 2.085 1.00 0.00 C ATOM 0 H LEU A 39 13.063 -2.807 3.253 1.00 0.00 H new ATOM 0 HA LEU A 39 11.742 -5.080 4.583 1.00 0.00 H new ATOM 0 HB2 LEU A 39 13.882 -5.252 2.430 1.00 0.00 H new ATOM 0 HB3 LEU A 39 13.342 -6.596 3.417 1.00 0.00 H new ATOM 0 HG LEU A 39 11.083 -5.297 2.142 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.597 -5.933 -0.183 1.00 0.00 H new ATOM 0 HD12 LEU A 39 12.689 -4.662 0.417 1.00 0.00 H new ATOM 0 HD13 LEU A 39 13.259 -6.344 0.304 1.00 0.00 H new ATOM 0 HD21 LEU A 39 10.652 -7.596 1.352 1.00 0.00 H new ATOM 0 HD22 LEU A 39 12.267 -8.084 1.918 1.00 0.00 H new ATOM 0 HD23 LEU A 39 11.038 -7.550 3.089 1.00 0.00 H new ATOM 600 N ASP A 40 14.001 -5.597 5.829 1.00 0.00 N ATOM 601 CA ASP A 40 15.058 -5.584 6.833 1.00 0.00 C ATOM 602 C ASP A 40 16.412 -5.898 6.203 1.00 0.00 C ATOM 603 O ASP A 40 16.513 -6.094 4.993 1.00 0.00 O ATOM 604 CB ASP A 40 14.749 -6.596 7.939 1.00 0.00 C ATOM 605 CG ASP A 40 13.335 -6.458 8.473 1.00 0.00 C ATOM 606 OD1 ASP A 40 13.101 -5.562 9.310 1.00 0.00 O ATOM 607 OD2 ASP A 40 12.463 -7.248 8.054 1.00 0.00 O ATOM 0 H ASP A 40 13.488 -6.476 5.768 1.00 0.00 H new ATOM 0 HA ASP A 40 15.103 -4.584 7.265 1.00 0.00 H new ATOM 0 HB2 ASP A 40 14.892 -7.606 7.554 1.00 0.00 H new ATOM 0 HB3 ASP A 40 15.458 -6.464 8.757 1.00 0.00 H new ATOM 612 N TYR A 41 17.452 -5.937 7.028 1.00 0.00 N ATOM 613 CA TYR A 41 18.798 -6.228 6.542 1.00 0.00 C ATOM 614 C TYR A 41 19.237 -7.625 6.972 1.00 0.00 C ATOM 615 O TYR A 41 20.002 -8.288 6.273 1.00 0.00 O ATOM 616 CB TYR A 41 19.788 -5.179 7.054 1.00 0.00 C ATOM 617 CG TYR A 41 19.709 -4.936 8.545 1.00 0.00 C ATOM 618 CD1 TYR A 41 18.793 -4.033 9.074 1.00 0.00 C ATOM 619 CD2 TYR A 41 20.551 -5.605 9.423 1.00 0.00 C ATOM 620 CE1 TYR A 41 18.720 -3.805 10.434 1.00 0.00 C ATOM 621 CE2 TYR A 41 20.486 -5.382 10.785 1.00 0.00 C ATOM 622 CZ TYR A 41 19.569 -4.482 11.286 1.00 0.00 C ATOM 623 OH TYR A 41 19.500 -4.260 12.641 1.00 0.00 O ATOM 0 H TYR A 41 17.391 -5.772 8.033 1.00 0.00 H new ATOM 0 HA TYR A 41 18.783 -6.193 5.453 1.00 0.00 H new ATOM 0 HB2 TYR A 41 20.800 -5.495 6.801 1.00 0.00 H new ATOM 0 HB3 TYR A 41 19.608 -4.239 6.533 1.00 0.00 H new ATOM 0 HD1 TYR A 41 18.128 -3.501 8.410 1.00 0.00 H new ATOM 0 HD2 TYR A 41 21.269 -6.312 9.035 1.00 0.00 H new ATOM 0 HE1 TYR A 41 18.003 -3.101 10.829 1.00 0.00 H new ATOM 0 HE2 TYR A 41 21.150 -5.910 11.454 1.00 0.00 H new ATOM 0 HH TYR A 41 20.165 -4.816 13.098 1.00 0.00 H new ATOM 633 N GLU A 42 18.742 -8.066 8.126 1.00 0.00 N ATOM 634 CA GLU A 42 19.075 -9.387 8.652 1.00 0.00 C ATOM 635 C GLU A 42 18.125 -10.446 8.103 1.00 0.00 C ATOM 636 O GLU A 42 18.507 -11.601 7.907 1.00 0.00 O ATOM 637 CB GLU A 42 18.998 -9.387 10.183 1.00 0.00 C ATOM 638 CG GLU A 42 20.274 -8.931 10.870 1.00 0.00 C ATOM 639 CD GLU A 42 20.501 -9.634 12.194 1.00 0.00 C ATOM 640 OE1 GLU A 42 20.631 -10.875 12.192 1.00 0.00 O ATOM 641 OE2 GLU A 42 20.543 -8.944 13.236 1.00 0.00 O ATOM 0 H GLU A 42 18.108 -7.527 8.715 1.00 0.00 H new ATOM 0 HA GLU A 42 20.091 -9.624 8.338 1.00 0.00 H new ATOM 0 HB2 GLU A 42 18.179 -8.739 10.495 1.00 0.00 H new ATOM 0 HB3 GLU A 42 18.755 -10.393 10.524 1.00 0.00 H new ATOM 0 HG2 GLU A 42 21.124 -9.117 10.213 1.00 0.00 H new ATOM 0 HG3 GLU A 42 20.229 -7.855 11.036 1.00 0.00 H new ATOM 648 N THR A 43 16.880 -10.044 7.871 1.00 0.00 N ATOM 649 CA THR A 43 15.857 -10.954 7.363 1.00 0.00 C ATOM 650 C THR A 43 15.396 -10.551 5.961 1.00 0.00 C ATOM 651 O THR A 43 14.889 -11.379 5.204 1.00 0.00 O ATOM 652 CB THR A 43 14.664 -10.972 8.320 1.00 0.00 C ATOM 653 OG1 THR A 43 14.072 -9.689 8.409 1.00 0.00 O ATOM 654 CG2 THR A 43 15.028 -11.402 9.723 1.00 0.00 C ATOM 0 H THR A 43 16.553 -9.090 8.027 1.00 0.00 H new ATOM 0 HA THR A 43 16.291 -11.952 7.298 1.00 0.00 H new ATOM 0 HB THR A 43 13.971 -11.701 7.900 1.00 0.00 H new ATOM 0 HG1 THR A 43 13.310 -9.722 9.024 1.00 0.00 H new ATOM 0 HG21 THR A 43 14.136 -11.393 10.349 1.00 0.00 H new ATOM 0 HG22 THR A 43 15.444 -12.409 9.699 1.00 0.00 H new ATOM 0 HG23 THR A 43 15.767 -10.714 10.134 1.00 0.00 H new ATOM 662 N GLU A 44 15.577 -9.275 5.622 1.00 0.00 N ATOM 663 CA GLU A 44 15.187 -8.753 4.312 1.00 0.00 C ATOM 664 C GLU A 44 13.789 -9.214 3.903 1.00 0.00 C ATOM 665 O GLU A 44 13.530 -9.470 2.727 1.00 0.00 O ATOM 666 CB GLU A 44 16.207 -9.160 3.248 1.00 0.00 C ATOM 667 CG GLU A 44 16.224 -10.649 2.951 1.00 0.00 C ATOM 668 CD GLU A 44 17.014 -10.980 1.701 1.00 0.00 C ATOM 669 OE1 GLU A 44 17.071 -10.124 0.793 1.00 0.00 O ATOM 670 OE2 GLU A 44 17.577 -12.093 1.631 1.00 0.00 O ATOM 0 H GLU A 44 15.994 -8.580 6.241 1.00 0.00 H new ATOM 0 HA GLU A 44 15.165 -7.666 4.392 1.00 0.00 H new ATOM 0 HB2 GLU A 44 15.993 -8.618 2.327 1.00 0.00 H new ATOM 0 HB3 GLU A 44 17.201 -8.853 3.575 1.00 0.00 H new ATOM 0 HG2 GLU A 44 16.653 -11.181 3.800 1.00 0.00 H new ATOM 0 HG3 GLU A 44 15.200 -11.005 2.836 1.00 0.00 H new ATOM 677 N LYS A 45 12.889 -9.313 4.874 1.00 0.00 N ATOM 678 CA LYS A 45 11.520 -9.739 4.606 1.00 0.00 C ATOM 679 C LYS A 45 10.528 -8.899 5.405 1.00 0.00 C ATOM 680 O LYS A 45 10.577 -8.868 6.635 1.00 0.00 O ATOM 681 CB LYS A 45 11.338 -11.221 4.941 1.00 0.00 C ATOM 682 CG LYS A 45 11.923 -11.622 6.284 1.00 0.00 C ATOM 683 CD LYS A 45 12.313 -13.093 6.307 1.00 0.00 C ATOM 684 CE LYS A 45 12.401 -13.631 7.729 1.00 0.00 C ATOM 685 NZ LYS A 45 11.694 -14.935 7.885 1.00 0.00 N ATOM 0 H LYS A 45 13.082 -9.104 5.854 1.00 0.00 H new ATOM 0 HA LYS A 45 11.326 -9.595 3.543 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.274 -11.458 4.933 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.804 -11.821 4.159 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.799 -11.009 6.498 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.196 -11.425 7.072 1.00 0.00 H new ATOM 0 HD2 LYS A 45 11.581 -13.672 5.744 1.00 0.00 H new ATOM 0 HD3 LYS A 45 13.274 -13.222 5.809 1.00 0.00 H new ATOM 0 HE2 LYS A 45 13.448 -13.753 8.005 1.00 0.00 H new ATOM 0 HE3 LYS A 45 11.972 -12.903 8.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.781 -15.262 8.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.689 -14.815 7.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.119 -15.639 7.248 1.00 0.00 H new ATOM 699 N HIS A 46 9.627 -8.226 4.700 1.00 0.00 N ATOM 700 CA HIS A 46 8.622 -7.394 5.349 1.00 0.00 C ATOM 701 C HIS A 46 7.628 -8.259 6.114 1.00 0.00 C ATOM 702 O HIS A 46 7.840 -9.458 6.291 1.00 0.00 O ATOM 703 CB HIS A 46 7.889 -6.540 4.313 1.00 0.00 C ATOM 704 CG HIS A 46 7.664 -5.129 4.758 1.00 0.00 C ATOM 705 ND1 HIS A 46 6.617 -4.353 4.307 1.00 0.00 N ATOM 706 CD2 HIS A 46 8.361 -4.353 5.622 1.00 0.00 C ATOM 707 CE1 HIS A 46 6.680 -3.161 4.873 1.00 0.00 C ATOM 708 NE2 HIS A 46 7.728 -3.136 5.676 1.00 0.00 N ATOM 0 H HIS A 46 9.572 -8.240 3.682 1.00 0.00 H new ATOM 0 HA HIS A 46 9.125 -6.733 6.055 1.00 0.00 H new ATOM 0 HB2 HIS A 46 8.463 -6.534 3.386 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.927 -7.000 4.089 1.00 0.00 H new ATOM 0 HD1 HIS A 46 5.905 -4.653 3.641 1.00 0.00 H new ATOM 0 HD2 HIS A 46 9.249 -4.638 6.167 1.00 0.00 H new ATOM 0 HE1 HIS A 46 5.991 -2.346 4.707 1.00 0.00 H new ATOM 717 N ARG A 47 6.536 -7.645 6.546 1.00 0.00 N ATOM 718 CA ARG A 47 5.490 -8.354 7.271 1.00 0.00 C ATOM 719 C ARG A 47 4.250 -8.451 6.399 1.00 0.00 C ATOM 720 O ARG A 47 3.652 -9.516 6.251 1.00 0.00 O ATOM 721 CB ARG A 47 5.154 -7.622 8.574 1.00 0.00 C ATOM 722 CG ARG A 47 5.885 -8.171 9.789 1.00 0.00 C ATOM 723 CD ARG A 47 7.102 -7.327 10.136 1.00 0.00 C ATOM 724 NE ARG A 47 7.573 -7.578 11.496 1.00 0.00 N ATOM 725 CZ ARG A 47 8.858 -7.604 11.849 1.00 0.00 C ATOM 726 NH1 ARG A 47 9.810 -7.358 10.955 1.00 0.00 N ATOM 727 NH2 ARG A 47 9.193 -7.867 13.104 1.00 0.00 N ATOM 0 H ARG A 47 6.350 -6.652 6.406 1.00 0.00 H new ATOM 0 HA ARG A 47 5.843 -9.355 7.517 1.00 0.00 H new ATOM 0 HB2 ARG A 47 5.398 -6.566 8.461 1.00 0.00 H new ATOM 0 HB3 ARG A 47 4.080 -7.684 8.749 1.00 0.00 H new ATOM 0 HG2 ARG A 47 5.206 -8.200 10.641 1.00 0.00 H new ATOM 0 HG3 ARG A 47 6.196 -9.197 9.595 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.904 -7.540 9.430 1.00 0.00 H new ATOM 0 HD3 ARG A 47 6.854 -6.271 10.027 1.00 0.00 H new ATOM 0 HE ARG A 47 6.875 -7.744 12.221 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.560 -7.147 9.989 1.00 0.00 H new ATOM 0 HH12 ARG A 47 10.791 -7.380 11.235 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.468 -8.049 13.798 1.00 0.00 H new ATOM 0 HH22 ARG A 47 10.176 -7.887 13.376 1.00 0.00 H new ATOM 741 N GLY A 48 3.881 -7.316 5.821 1.00 0.00 N ATOM 742 CA GLY A 48 2.722 -7.254 4.959 1.00 0.00 C ATOM 743 C GLY A 48 2.202 -5.842 4.824 1.00 0.00 C ATOM 744 O GLY A 48 1.001 -5.608 4.931 1.00 0.00 O ATOM 0 H GLY A 48 4.371 -6.429 5.937 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.980 -7.643 3.974 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.936 -7.895 5.359 1.00 0.00 H new ATOM 748 N PHE A 49 3.106 -4.895 4.602 1.00 0.00 N ATOM 749 CA PHE A 49 2.718 -3.498 4.469 1.00 0.00 C ATOM 750 C PHE A 49 3.494 -2.811 3.354 1.00 0.00 C ATOM 751 O PHE A 49 4.624 -3.190 3.045 1.00 0.00 O ATOM 752 CB PHE A 49 2.948 -2.775 5.794 1.00 0.00 C ATOM 753 CG PHE A 49 2.461 -3.564 6.972 1.00 0.00 C ATOM 754 CD1 PHE A 49 1.184 -4.090 6.976 1.00 0.00 C ATOM 755 CD2 PHE A 49 3.282 -3.800 8.061 1.00 0.00 C ATOM 756 CE1 PHE A 49 0.728 -4.838 8.038 1.00 0.00 C ATOM 757 CE2 PHE A 49 2.832 -4.547 9.134 1.00 0.00 C ATOM 758 CZ PHE A 49 1.552 -5.067 9.122 1.00 0.00 C ATOM 0 H PHE A 49 4.107 -5.069 4.511 1.00 0.00 H new ATOM 0 HA PHE A 49 1.660 -3.458 4.210 1.00 0.00 H new ATOM 0 HB2 PHE A 49 4.012 -2.571 5.913 1.00 0.00 H new ATOM 0 HB3 PHE A 49 2.439 -1.811 5.771 1.00 0.00 H new ATOM 0 HD1 PHE A 49 0.533 -3.912 6.133 1.00 0.00 H new ATOM 0 HD2 PHE A 49 4.284 -3.397 8.073 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -0.272 -5.245 8.023 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.480 -4.724 9.980 1.00 0.00 H new ATOM 0 HZ PHE A 49 1.197 -5.651 9.958 1.00 0.00 H new ATOM 768 N ALA A 50 2.880 -1.801 2.750 1.00 0.00 N ATOM 769 CA ALA A 50 3.525 -1.070 1.664 1.00 0.00 C ATOM 770 C ALA A 50 3.005 0.360 1.534 1.00 0.00 C ATOM 771 O ALA A 50 2.094 0.772 2.254 1.00 0.00 O ATOM 772 CB ALA A 50 3.341 -1.820 0.355 1.00 0.00 C ATOM 0 H ALA A 50 1.945 -1.471 2.990 1.00 0.00 H new ATOM 0 HA ALA A 50 4.587 -1.002 1.902 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.825 -1.269 -0.451 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.789 -2.810 0.437 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.277 -1.919 0.139 1.00 0.00 H new ATOM 778 N PHE A 51 3.599 1.109 0.606 1.00 0.00 N ATOM 779 CA PHE A 51 3.216 2.501 0.358 1.00 0.00 C ATOM 780 C PHE A 51 2.702 2.673 -1.072 1.00 0.00 C ATOM 781 O PHE A 51 3.361 2.265 -2.026 1.00 0.00 O ATOM 782 CB PHE A 51 4.418 3.426 0.576 1.00 0.00 C ATOM 783 CG PHE A 51 4.645 3.822 2.009 1.00 0.00 C ATOM 784 CD1 PHE A 51 3.932 4.867 2.576 1.00 0.00 C ATOM 785 CD2 PHE A 51 5.583 3.158 2.782 1.00 0.00 C ATOM 786 CE1 PHE A 51 4.151 5.238 3.890 1.00 0.00 C ATOM 787 CE2 PHE A 51 5.803 3.525 4.097 1.00 0.00 C ATOM 788 CZ PHE A 51 5.087 4.567 4.651 1.00 0.00 C ATOM 0 H PHE A 51 4.354 0.773 0.008 1.00 0.00 H new ATOM 0 HA PHE A 51 2.421 2.763 1.056 1.00 0.00 H new ATOM 0 HB2 PHE A 51 5.314 2.931 0.202 1.00 0.00 H new ATOM 0 HB3 PHE A 51 4.280 4.328 -0.020 1.00 0.00 H new ATOM 0 HD1 PHE A 51 3.199 5.396 1.986 1.00 0.00 H new ATOM 0 HD2 PHE A 51 6.149 2.344 2.353 1.00 0.00 H new ATOM 0 HE1 PHE A 51 3.589 6.053 4.321 1.00 0.00 H new ATOM 0 HE2 PHE A 51 6.535 2.997 4.690 1.00 0.00 H new ATOM 0 HZ PHE A 51 5.259 4.857 5.677 1.00 0.00 H new ATOM 798 N VAL A 52 1.529 3.290 -1.219 1.00 0.00 N ATOM 799 CA VAL A 52 0.944 3.518 -2.542 1.00 0.00 C ATOM 800 C VAL A 52 0.943 5.008 -2.885 1.00 0.00 C ATOM 801 O VAL A 52 0.489 5.834 -2.095 1.00 0.00 O ATOM 802 CB VAL A 52 -0.501 2.970 -2.624 1.00 0.00 C ATOM 803 CG1 VAL A 52 -1.042 3.071 -4.046 1.00 0.00 C ATOM 804 CG2 VAL A 52 -0.555 1.529 -2.130 1.00 0.00 C ATOM 0 H VAL A 52 0.967 3.640 -0.443 1.00 0.00 H new ATOM 0 HA VAL A 52 1.561 2.982 -3.264 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.133 3.580 -1.978 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.059 2.680 -4.077 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.045 4.115 -4.361 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.409 2.491 -4.718 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.579 1.160 -2.195 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.094 0.908 -2.747 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.219 1.487 -1.094 1.00 0.00 H new ATOM 814 N GLU A 53 1.454 5.347 -4.070 1.00 0.00 N ATOM 815 CA GLU A 53 1.514 6.734 -4.517 1.00 0.00 C ATOM 816 C GLU A 53 0.603 6.923 -5.719 1.00 0.00 C ATOM 817 O GLU A 53 0.555 6.074 -6.604 1.00 0.00 O ATOM 818 CB GLU A 53 2.961 7.113 -4.867 1.00 0.00 C ATOM 819 CG GLU A 53 3.107 8.428 -5.624 1.00 0.00 C ATOM 820 CD GLU A 53 3.809 9.497 -4.807 1.00 0.00 C ATOM 821 OE1 GLU A 53 4.876 9.200 -4.232 1.00 0.00 O ATOM 822 OE2 GLU A 53 3.291 10.632 -4.744 1.00 0.00 O ATOM 0 H GLU A 53 1.833 4.675 -4.737 1.00 0.00 H new ATOM 0 HA GLU A 53 1.174 7.388 -3.714 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.540 7.173 -3.945 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.397 6.314 -5.466 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.666 8.253 -6.544 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.120 8.787 -5.914 1.00 0.00 H new ATOM 829 N PHE A 54 -0.129 8.028 -5.742 1.00 0.00 N ATOM 830 CA PHE A 54 -1.049 8.302 -6.831 1.00 0.00 C ATOM 831 C PHE A 54 -0.623 9.517 -7.630 1.00 0.00 C ATOM 832 O PHE A 54 0.115 10.373 -7.145 1.00 0.00 O ATOM 833 CB PHE A 54 -2.455 8.499 -6.277 1.00 0.00 C ATOM 834 CG PHE A 54 -2.983 7.268 -5.610 1.00 0.00 C ATOM 835 CD1 PHE A 54 -2.467 6.847 -4.395 1.00 0.00 C ATOM 836 CD2 PHE A 54 -3.986 6.529 -6.201 1.00 0.00 C ATOM 837 CE1 PHE A 54 -2.949 5.707 -3.784 1.00 0.00 C ATOM 838 CE2 PHE A 54 -4.473 5.387 -5.598 1.00 0.00 C ATOM 839 CZ PHE A 54 -3.954 4.977 -4.386 1.00 0.00 C ATOM 0 H PHE A 54 -0.102 8.747 -5.019 1.00 0.00 H new ATOM 0 HA PHE A 54 -1.040 7.447 -7.507 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.449 9.322 -5.562 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -3.125 8.786 -7.088 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.680 7.416 -3.922 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -4.396 6.848 -7.148 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -2.541 5.387 -2.837 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.257 4.816 -6.073 1.00 0.00 H new ATOM 0 HZ PHE A 54 -4.334 4.086 -3.909 1.00 0.00 H new ATOM 849 N GLU A 55 -1.110 9.584 -8.856 1.00 0.00 N ATOM 850 CA GLU A 55 -0.805 10.694 -9.736 1.00 0.00 C ATOM 851 C GLU A 55 -1.629 11.901 -9.327 1.00 0.00 C ATOM 852 O GLU A 55 -1.193 13.045 -9.454 1.00 0.00 O ATOM 853 CB GLU A 55 -1.099 10.317 -11.189 1.00 0.00 C ATOM 854 CG GLU A 55 -0.518 11.291 -12.202 1.00 0.00 C ATOM 855 CD GLU A 55 0.669 10.719 -12.953 1.00 0.00 C ATOM 856 OE1 GLU A 55 1.791 10.756 -12.403 1.00 0.00 O ATOM 857 OE2 GLU A 55 0.478 10.233 -14.086 1.00 0.00 O ATOM 0 H GLU A 55 -1.722 8.878 -9.265 1.00 0.00 H new ATOM 0 HA GLU A 55 0.254 10.937 -9.654 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.700 9.322 -11.385 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -2.178 10.261 -11.329 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.293 11.571 -12.916 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.212 12.203 -11.689 1.00 0.00 H new ATOM 864 N LEU A 56 -2.832 11.625 -8.837 1.00 0.00 N ATOM 865 CA LEU A 56 -3.749 12.668 -8.405 1.00 0.00 C ATOM 866 C LEU A 56 -3.962 12.613 -6.894 1.00 0.00 C ATOM 867 O LEU A 56 -4.338 11.578 -6.345 1.00 0.00 O ATOM 868 CB LEU A 56 -5.082 12.509 -9.134 1.00 0.00 C ATOM 869 CG LEU A 56 -5.012 12.681 -10.651 1.00 0.00 C ATOM 870 CD1 LEU A 56 -6.371 12.413 -11.280 1.00 0.00 C ATOM 871 CD2 LEU A 56 -4.525 14.077 -11.008 1.00 0.00 C ATOM 0 H LEU A 56 -3.196 10.678 -8.729 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.317 13.639 -8.649 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.484 11.520 -8.914 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.788 13.237 -8.733 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.300 11.957 -11.047 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.303 12.540 -12.360 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.682 11.393 -11.053 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.103 13.114 -10.878 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.482 14.181 -12.092 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.213 14.818 -10.600 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.531 14.234 -10.588 1.00 0.00 H new ATOM 883 N ALA A 57 -3.709 13.733 -6.225 1.00 0.00 N ATOM 884 CA ALA A 57 -3.864 13.809 -4.777 1.00 0.00 C ATOM 885 C ALA A 57 -5.269 13.418 -4.339 1.00 0.00 C ATOM 886 O ALA A 57 -5.443 12.683 -3.367 1.00 0.00 O ATOM 887 CB ALA A 57 -3.522 15.208 -4.284 1.00 0.00 C ATOM 0 H ALA A 57 -3.396 14.600 -6.662 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.172 13.095 -4.331 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -3.642 15.252 -3.201 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.490 15.444 -4.545 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.189 15.932 -4.752 1.00 0.00 H new ATOM 893 N GLU A 58 -6.272 13.908 -5.058 1.00 0.00 N ATOM 894 CA GLU A 58 -7.659 13.603 -4.735 1.00 0.00 C ATOM 895 C GLU A 58 -7.956 12.122 -4.956 1.00 0.00 C ATOM 896 O GLU A 58 -8.794 11.537 -4.270 1.00 0.00 O ATOM 897 CB GLU A 58 -8.601 14.466 -5.572 1.00 0.00 C ATOM 898 CG GLU A 58 -8.717 15.894 -5.064 1.00 0.00 C ATOM 899 CD GLU A 58 -9.981 16.584 -5.538 1.00 0.00 C ATOM 900 OE1 GLU A 58 -9.996 17.074 -6.688 1.00 0.00 O ATOM 901 OE2 GLU A 58 -10.956 16.635 -4.759 1.00 0.00 O ATOM 0 H GLU A 58 -6.150 14.517 -5.867 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.822 13.829 -3.681 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.248 14.482 -6.603 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -9.591 14.009 -5.580 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.697 15.890 -3.974 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.850 16.465 -5.396 1.00 0.00 H new ATOM 908 N ASP A 59 -7.258 11.521 -5.915 1.00 0.00 N ATOM 909 CA ASP A 59 -7.443 10.108 -6.225 1.00 0.00 C ATOM 910 C ASP A 59 -7.108 9.240 -5.017 1.00 0.00 C ATOM 911 O ASP A 59 -7.765 8.232 -4.764 1.00 0.00 O ATOM 912 CB ASP A 59 -6.569 9.707 -7.414 1.00 0.00 C ATOM 913 CG ASP A 59 -7.364 9.536 -8.695 1.00 0.00 C ATOM 914 OD1 ASP A 59 -8.607 9.439 -8.617 1.00 0.00 O ATOM 915 OD2 ASP A 59 -6.743 9.499 -9.778 1.00 0.00 O ATOM 0 H ASP A 59 -6.559 11.991 -6.491 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.490 9.951 -6.484 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.801 10.465 -7.567 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.055 8.774 -7.183 1.00 0.00 H new ATOM 920 N ALA A 60 -6.080 9.634 -4.278 1.00 0.00 N ATOM 921 CA ALA A 60 -5.662 8.887 -3.099 1.00 0.00 C ATOM 922 C ALA A 60 -6.799 8.791 -2.087 1.00 0.00 C ATOM 923 O ALA A 60 -7.030 7.738 -1.495 1.00 0.00 O ATOM 924 CB ALA A 60 -4.436 9.536 -2.472 1.00 0.00 C ATOM 0 H ALA A 60 -5.521 10.465 -4.473 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.400 7.875 -3.407 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.134 8.968 -1.592 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.620 9.547 -3.195 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.675 10.558 -2.180 1.00 0.00 H new ATOM 930 N ALA A 61 -7.516 9.895 -1.903 1.00 0.00 N ATOM 931 CA ALA A 61 -8.637 9.932 -0.969 1.00 0.00 C ATOM 932 C ALA A 61 -9.616 8.802 -1.265 1.00 0.00 C ATOM 933 O ALA A 61 -10.227 8.238 -0.358 1.00 0.00 O ATOM 934 CB ALA A 61 -9.344 11.278 -1.044 1.00 0.00 C ATOM 0 H ALA A 61 -7.341 10.775 -2.388 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.250 9.798 0.041 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -10.178 11.291 -0.342 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -8.642 12.072 -0.789 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -9.719 11.436 -2.055 1.00 0.00 H new ATOM 940 N ALA A 62 -9.748 8.474 -2.542 1.00 0.00 N ATOM 941 CA ALA A 62 -10.637 7.401 -2.960 1.00 0.00 C ATOM 942 C ALA A 62 -10.091 6.062 -2.490 1.00 0.00 C ATOM 943 O ALA A 62 -10.816 5.256 -1.916 1.00 0.00 O ATOM 944 CB ALA A 62 -10.811 7.413 -4.471 1.00 0.00 C ATOM 0 H ALA A 62 -9.252 8.935 -3.305 1.00 0.00 H new ATOM 0 HA ALA A 62 -11.616 7.556 -2.506 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.479 6.604 -4.767 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -11.237 8.367 -4.781 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.841 7.276 -4.950 1.00 0.00 H new ATOM 950 N ALA A 63 -8.791 5.852 -2.689 1.00 0.00 N ATOM 951 CA ALA A 63 -8.143 4.629 -2.241 1.00 0.00 C ATOM 952 C ALA A 63 -8.245 4.555 -0.727 1.00 0.00 C ATOM 953 O ALA A 63 -8.463 3.494 -0.145 1.00 0.00 O ATOM 954 CB ALA A 63 -6.687 4.608 -2.691 1.00 0.00 C ATOM 0 H ALA A 63 -8.171 6.513 -3.156 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.636 3.762 -2.679 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.214 3.688 -2.349 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.642 4.657 -3.779 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.163 5.465 -2.267 1.00 0.00 H new ATOM 960 N ILE A 64 -8.111 5.718 -0.108 1.00 0.00 N ATOM 961 CA ILE A 64 -8.208 5.858 1.332 1.00 0.00 C ATOM 962 C ILE A 64 -9.600 5.467 1.823 1.00 0.00 C ATOM 963 O ILE A 64 -9.746 4.681 2.754 1.00 0.00 O ATOM 964 CB ILE A 64 -7.947 7.321 1.733 1.00 0.00 C ATOM 965 CG1 ILE A 64 -6.491 7.708 1.464 1.00 0.00 C ATOM 966 CG2 ILE A 64 -8.295 7.560 3.199 1.00 0.00 C ATOM 967 CD1 ILE A 64 -6.245 9.201 1.541 1.00 0.00 C ATOM 0 H ILE A 64 -7.931 6.595 -0.596 1.00 0.00 H new ATOM 0 HA ILE A 64 -7.465 5.200 1.784 1.00 0.00 H new ATOM 0 HB ILE A 64 -8.592 7.952 1.121 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -5.849 7.203 2.185 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -6.203 7.350 0.476 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -8.101 8.602 3.454 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -9.349 7.337 3.364 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -7.684 6.912 3.828 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -5.194 9.407 1.341 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.862 9.710 0.801 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.502 9.561 2.537 1.00 0.00 H new ATOM 979 N ASP A 65 -10.620 6.044 1.198 1.00 0.00 N ATOM 980 CA ASP A 65 -12.003 5.781 1.581 1.00 0.00 C ATOM 981 C ASP A 65 -12.512 4.460 1.014 1.00 0.00 C ATOM 982 O ASP A 65 -13.591 3.999 1.382 1.00 0.00 O ATOM 983 CB ASP A 65 -12.908 6.923 1.112 1.00 0.00 C ATOM 984 CG ASP A 65 -12.962 8.063 2.111 1.00 0.00 C ATOM 985 OD1 ASP A 65 -13.754 7.972 3.073 1.00 0.00 O ATOM 986 OD2 ASP A 65 -12.210 9.044 1.931 1.00 0.00 O ATOM 0 H ASP A 65 -10.515 6.698 0.422 1.00 0.00 H new ATOM 0 HA ASP A 65 -12.030 5.712 2.668 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.548 7.299 0.154 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -13.915 6.541 0.946 1.00 0.00 H new ATOM 991 N ASN A 66 -11.748 3.855 0.112 1.00 0.00 N ATOM 992 CA ASN A 66 -12.169 2.590 -0.494 1.00 0.00 C ATOM 993 C ASN A 66 -11.404 1.398 0.079 1.00 0.00 C ATOM 994 O ASN A 66 -11.998 0.362 0.380 1.00 0.00 O ATOM 995 CB ASN A 66 -12.005 2.634 -2.020 1.00 0.00 C ATOM 996 CG ASN A 66 -13.282 2.285 -2.761 1.00 0.00 C ATOM 997 OD1 ASN A 66 -14.348 2.147 -2.160 1.00 0.00 O ATOM 998 ND2 ASN A 66 -13.180 2.141 -4.077 1.00 0.00 N ATOM 0 H ASN A 66 -10.849 4.209 -0.214 1.00 0.00 H new ATOM 0 HA ASN A 66 -13.224 2.458 -0.252 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -11.680 3.631 -2.317 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -11.218 1.940 -2.316 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -14.005 1.907 -4.630 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -12.277 2.264 -4.535 1.00 0.00 H new ATOM 1005 N MET A 67 -10.089 1.530 0.213 1.00 0.00 N ATOM 1006 CA MET A 67 -9.269 0.437 0.728 1.00 0.00 C ATOM 1007 C MET A 67 -9.248 0.387 2.259 1.00 0.00 C ATOM 1008 O MET A 67 -8.938 -0.653 2.841 1.00 0.00 O ATOM 1009 CB MET A 67 -7.844 0.541 0.179 1.00 0.00 C ATOM 1010 CG MET A 67 -7.742 0.199 -1.298 1.00 0.00 C ATOM 1011 SD MET A 67 -7.458 -1.558 -1.586 1.00 0.00 S ATOM 1012 CE MET A 67 -9.133 -2.130 -1.864 1.00 0.00 C ATOM 0 H MET A 67 -9.570 2.375 -0.025 1.00 0.00 H new ATOM 0 HA MET A 67 -9.724 -0.493 0.386 1.00 0.00 H new ATOM 0 HB2 MET A 67 -7.475 1.554 0.336 1.00 0.00 H new ATOM 0 HB3 MET A 67 -7.194 -0.127 0.745 1.00 0.00 H new ATOM 0 HG2 MET A 67 -8.660 0.502 -1.801 1.00 0.00 H new ATOM 0 HG3 MET A 67 -6.930 0.772 -1.744 1.00 0.00 H new ATOM 0 HE1 MET A 67 -9.408 -2.842 -1.086 1.00 0.00 H new ATOM 0 HE2 MET A 67 -9.816 -1.281 -1.837 1.00 0.00 H new ATOM 0 HE3 MET A 67 -9.195 -2.615 -2.838 1.00 0.00 H new ATOM 1022 N ASN A 68 -9.576 1.499 2.913 1.00 0.00 N ATOM 1023 CA ASN A 68 -9.582 1.536 4.375 1.00 0.00 C ATOM 1024 C ASN A 68 -10.591 0.543 4.947 1.00 0.00 C ATOM 1025 O ASN A 68 -11.799 0.696 4.773 1.00 0.00 O ATOM 1026 CB ASN A 68 -9.892 2.945 4.886 1.00 0.00 C ATOM 1027 CG ASN A 68 -9.789 3.047 6.395 1.00 0.00 C ATOM 1028 OD1 ASN A 68 -10.796 3.006 7.104 1.00 0.00 O ATOM 1029 ND2 ASN A 68 -8.567 3.188 6.897 1.00 0.00 N ATOM 0 H ASN A 68 -9.838 2.376 2.462 1.00 0.00 H new ATOM 0 HA ASN A 68 -8.585 1.252 4.713 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -9.203 3.655 4.429 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -10.897 3.230 4.573 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -8.436 3.267 7.905 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -7.760 3.217 6.274 1.00 0.00 H new ATOM 1036 N GLU A 69 -10.076 -0.474 5.631 1.00 0.00 N ATOM 1037 CA GLU A 69 -10.914 -1.505 6.239 1.00 0.00 C ATOM 1038 C GLU A 69 -11.644 -2.316 5.173 1.00 0.00 C ATOM 1039 O GLU A 69 -12.808 -2.682 5.339 1.00 0.00 O ATOM 1040 CB GLU A 69 -11.911 -0.875 7.217 1.00 0.00 C ATOM 1041 CG GLU A 69 -11.640 -1.232 8.670 1.00 0.00 C ATOM 1042 CD GLU A 69 -12.601 -0.553 9.628 1.00 0.00 C ATOM 1043 OE1 GLU A 69 -13.826 -0.714 9.453 1.00 0.00 O ATOM 1044 OE2 GLU A 69 -12.127 0.140 10.552 1.00 0.00 O ATOM 0 H GLU A 69 -9.076 -0.607 5.779 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.268 -2.186 6.793 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.882 0.209 7.106 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.919 -1.196 6.954 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.712 -2.312 8.794 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.619 -0.949 8.925 1.00 0.00 H new ATOM 1051 N SER A 70 -10.947 -2.601 4.080 1.00 0.00 N ATOM 1052 CA SER A 70 -11.520 -3.376 2.988 1.00 0.00 C ATOM 1053 C SER A 70 -11.006 -4.812 3.025 1.00 0.00 C ATOM 1054 O SER A 70 -10.424 -5.244 4.020 1.00 0.00 O ATOM 1055 CB SER A 70 -11.180 -2.729 1.642 1.00 0.00 C ATOM 1056 OG SER A 70 -12.267 -2.825 0.732 1.00 0.00 O ATOM 0 H SER A 70 -9.983 -2.306 3.927 1.00 0.00 H new ATOM 0 HA SER A 70 -12.603 -3.391 3.107 1.00 0.00 H new ATOM 0 HB2 SER A 70 -10.923 -1.681 1.795 1.00 0.00 H new ATOM 0 HB3 SER A 70 -10.302 -3.214 1.215 1.00 0.00 H new ATOM 0 HG SER A 70 -12.494 -1.932 0.399 1.00 0.00 H new ATOM 1062 N GLU A 71 -11.220 -5.546 1.938 1.00 0.00 N ATOM 1063 CA GLU A 71 -10.773 -6.932 1.850 1.00 0.00 C ATOM 1064 C GLU A 71 -9.933 -7.152 0.596 1.00 0.00 C ATOM 1065 O GLU A 71 -10.369 -6.857 -0.517 1.00 0.00 O ATOM 1066 CB GLU A 71 -11.974 -7.883 1.851 1.00 0.00 C ATOM 1067 CG GLU A 71 -11.629 -9.298 2.292 1.00 0.00 C ATOM 1068 CD GLU A 71 -12.648 -9.877 3.256 1.00 0.00 C ATOM 1069 OE1 GLU A 71 -13.829 -10.003 2.869 1.00 0.00 O ATOM 1070 OE2 GLU A 71 -12.264 -10.204 4.399 1.00 0.00 O ATOM 0 H GLU A 71 -11.700 -5.204 1.106 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.155 -7.144 2.722 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -12.743 -7.483 2.511 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -12.401 -7.917 0.849 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -11.559 -9.941 1.414 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -10.647 -9.297 2.765 1.00 0.00 H new ATOM 1077 N LEU A 72 -8.725 -7.675 0.786 1.00 0.00 N ATOM 1078 CA LEU A 72 -7.819 -7.943 -0.326 1.00 0.00 C ATOM 1079 C LEU A 72 -7.148 -9.299 -0.148 1.00 0.00 C ATOM 1080 O LEU A 72 -6.509 -9.552 0.874 1.00 0.00 O ATOM 1081 CB LEU A 72 -6.760 -6.838 -0.427 1.00 0.00 C ATOM 1082 CG LEU A 72 -6.377 -6.433 -1.853 1.00 0.00 C ATOM 1083 CD1 LEU A 72 -7.508 -5.659 -2.510 1.00 0.00 C ATOM 1084 CD2 LEU A 72 -5.098 -5.608 -1.842 1.00 0.00 C ATOM 0 H LEU A 72 -8.350 -7.922 1.702 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.398 -7.959 -1.249 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.126 -5.956 0.098 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.861 -7.169 0.094 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.200 -7.337 -2.435 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.217 -5.380 -3.523 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.402 -6.282 -2.548 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.717 -4.759 -1.931 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.838 -5.327 -2.862 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.250 -4.708 -1.246 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.289 -6.197 -1.410 1.00 0.00 H new ATOM 1096 N PHE A 73 -7.303 -10.175 -1.136 1.00 0.00 N ATOM 1097 CA PHE A 73 -6.716 -11.508 -1.064 1.00 0.00 C ATOM 1098 C PHE A 73 -7.186 -12.224 0.198 1.00 0.00 C ATOM 1099 O PHE A 73 -6.439 -12.991 0.805 1.00 0.00 O ATOM 1100 CB PHE A 73 -5.188 -11.423 -1.079 1.00 0.00 C ATOM 1101 CG PHE A 73 -4.602 -11.222 -2.449 1.00 0.00 C ATOM 1102 CD1 PHE A 73 -5.012 -12.005 -3.517 1.00 0.00 C ATOM 1103 CD2 PHE A 73 -3.638 -10.251 -2.667 1.00 0.00 C ATOM 1104 CE1 PHE A 73 -4.471 -11.822 -4.776 1.00 0.00 C ATOM 1105 CE2 PHE A 73 -3.094 -10.063 -3.924 1.00 0.00 C ATOM 1106 CZ PHE A 73 -3.511 -10.849 -4.979 1.00 0.00 C ATOM 0 H PHE A 73 -7.827 -9.987 -1.991 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.042 -12.075 -1.936 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -4.873 -10.601 -0.436 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -4.779 -12.338 -0.650 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -5.762 -12.766 -3.364 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -3.308 -9.633 -1.845 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -4.798 -12.439 -5.600 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -2.344 -9.302 -4.080 1.00 0.00 H new ATOM 0 HZ PHE A 73 -3.088 -10.704 -5.962 1.00 0.00 H new ATOM 1116 N GLY A 74 -8.427 -11.954 0.588 1.00 0.00 N ATOM 1117 CA GLY A 74 -8.980 -12.566 1.781 1.00 0.00 C ATOM 1118 C GLY A 74 -8.383 -11.990 3.051 1.00 0.00 C ATOM 1119 O GLY A 74 -8.447 -12.610 4.112 1.00 0.00 O ATOM 0 H GLY A 74 -9.060 -11.322 0.098 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -10.061 -12.424 1.793 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -8.800 -13.641 1.752 1.00 0.00 H new ATOM 1123 N ARG A 75 -7.796 -10.802 2.938 1.00 0.00 N ATOM 1124 CA ARG A 75 -7.177 -10.137 4.076 1.00 0.00 C ATOM 1125 C ARG A 75 -7.737 -8.735 4.259 1.00 0.00 C ATOM 1126 O ARG A 75 -8.050 -8.045 3.289 1.00 0.00 O ATOM 1127 CB ARG A 75 -5.660 -10.066 3.887 1.00 0.00 C ATOM 1128 CG ARG A 75 -5.038 -11.384 3.459 1.00 0.00 C ATOM 1129 CD ARG A 75 -4.306 -12.059 4.607 1.00 0.00 C ATOM 1130 NE ARG A 75 -4.000 -13.458 4.312 1.00 0.00 N ATOM 1131 CZ ARG A 75 -4.554 -14.497 4.938 1.00 0.00 C ATOM 1132 NH1 ARG A 75 -5.454 -14.313 5.897 1.00 0.00 N ATOM 1133 NH2 ARG A 75 -4.206 -15.729 4.594 1.00 0.00 N ATOM 0 H ARG A 75 -7.737 -10.279 2.064 1.00 0.00 H new ATOM 0 HA ARG A 75 -7.402 -10.719 4.969 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.431 -9.306 3.140 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.201 -9.744 4.821 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.816 -12.048 3.083 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.343 -11.209 2.637 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.381 -11.521 4.814 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -4.916 -12.003 5.509 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.318 -13.652 3.579 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -5.730 -13.368 6.163 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -5.870 -15.117 6.367 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -3.519 -15.877 3.855 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.625 -16.529 5.068 1.00 0.00 H new ATOM 1147 N THR A 76 -7.846 -8.316 5.511 1.00 0.00 N ATOM 1148 CA THR A 76 -8.352 -6.990 5.832 1.00 0.00 C ATOM 1149 C THR A 76 -7.212 -5.984 5.795 1.00 0.00 C ATOM 1150 O THR A 76 -6.238 -6.114 6.533 1.00 0.00 O ATOM 1151 CB THR A 76 -9.016 -6.975 7.215 1.00 0.00 C ATOM 1152 OG1 THR A 76 -9.702 -8.191 7.481 1.00 0.00 O ATOM 1153 CG2 THR A 76 -10.008 -5.844 7.383 1.00 0.00 C ATOM 0 H THR A 76 -7.590 -8.877 6.323 1.00 0.00 H new ATOM 0 HA THR A 76 -9.103 -6.719 5.090 1.00 0.00 H new ATOM 0 HB THR A 76 -8.194 -6.837 7.918 1.00 0.00 H new ATOM 0 HG1 THR A 76 -10.111 -8.148 8.370 1.00 0.00 H new ATOM 0 HG21 THR A 76 -10.444 -5.887 8.381 1.00 0.00 H new ATOM 0 HG22 THR A 76 -9.498 -4.890 7.251 1.00 0.00 H new ATOM 0 HG23 THR A 76 -10.798 -5.939 6.638 1.00 0.00 H new ATOM 1161 N ILE A 77 -7.328 -4.989 4.926 1.00 0.00 N ATOM 1162 CA ILE A 77 -6.295 -3.977 4.792 1.00 0.00 C ATOM 1163 C ILE A 77 -6.774 -2.614 5.268 1.00 0.00 C ATOM 1164 O ILE A 77 -7.964 -2.301 5.220 1.00 0.00 O ATOM 1165 CB ILE A 77 -5.816 -3.850 3.332 1.00 0.00 C ATOM 1166 CG1 ILE A 77 -7.016 -3.689 2.396 1.00 0.00 C ATOM 1167 CG2 ILE A 77 -4.979 -5.060 2.935 1.00 0.00 C ATOM 1168 CD1 ILE A 77 -6.658 -3.103 1.048 1.00 0.00 C ATOM 0 H ILE A 77 -8.127 -4.863 4.305 1.00 0.00 H new ATOM 0 HA ILE A 77 -5.466 -4.303 5.420 1.00 0.00 H new ATOM 0 HB ILE A 77 -5.188 -2.963 3.246 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -7.483 -4.662 2.247 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -7.757 -3.050 2.876 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -4.650 -4.952 1.901 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.108 -5.130 3.587 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -5.579 -5.965 3.032 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -7.557 -3.018 0.438 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -6.218 -2.115 1.186 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -5.940 -3.753 0.548 1.00 0.00 H new ATOM 1180 N ARG A 78 -5.827 -1.809 5.712 1.00 0.00 N ATOM 1181 CA ARG A 78 -6.105 -0.462 6.189 1.00 0.00 C ATOM 1182 C ARG A 78 -5.219 0.534 5.455 1.00 0.00 C ATOM 1183 O ARG A 78 -4.026 0.294 5.280 1.00 0.00 O ATOM 1184 CB ARG A 78 -5.860 -0.372 7.696 1.00 0.00 C ATOM 1185 CG ARG A 78 -6.924 -1.076 8.527 1.00 0.00 C ATOM 1186 CD ARG A 78 -6.317 -1.900 9.655 1.00 0.00 C ATOM 1187 NE ARG A 78 -6.536 -1.282 10.962 1.00 0.00 N ATOM 1188 CZ ARG A 78 -6.406 -1.928 12.121 1.00 0.00 C ATOM 1189 NH1 ARG A 78 -6.050 -3.206 12.142 1.00 0.00 N ATOM 1190 NH2 ARG A 78 -6.630 -1.290 13.261 1.00 0.00 N ATOM 0 H ARG A 78 -4.841 -2.068 5.753 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.151 -0.225 5.993 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -4.886 -0.805 7.924 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.818 0.678 7.987 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -7.605 -0.335 8.946 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.516 -1.725 7.882 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -6.752 -2.899 9.649 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -5.247 -2.017 9.484 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.804 -0.298 10.989 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.874 -3.701 11.268 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -5.953 -3.694 13.033 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -6.901 -0.307 13.250 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -6.531 -1.782 14.149 1.00 0.00 H new ATOM 1204 N VAL A 79 -5.799 1.645 5.014 1.00 0.00 N ATOM 1205 CA VAL A 79 -5.033 2.649 4.291 1.00 0.00 C ATOM 1206 C VAL A 79 -5.132 4.012 4.970 1.00 0.00 C ATOM 1207 O VAL A 79 -6.132 4.326 5.614 1.00 0.00 O ATOM 1208 CB VAL A 79 -5.528 2.743 2.827 1.00 0.00 C ATOM 1209 CG1 VAL A 79 -4.752 3.782 2.027 1.00 0.00 C ATOM 1210 CG2 VAL A 79 -5.435 1.380 2.158 1.00 0.00 C ATOM 0 H VAL A 79 -6.785 1.870 5.143 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.986 2.346 4.295 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.569 3.065 2.850 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.133 3.814 1.006 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.872 4.762 2.490 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -3.695 3.515 2.012 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.785 1.455 1.129 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.399 1.041 2.165 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -6.054 0.665 2.700 1.00 0.00 H new ATOM 1220 N ASN A 80 -4.084 4.818 4.820 1.00 0.00 N ATOM 1221 CA ASN A 80 -4.047 6.148 5.414 1.00 0.00 C ATOM 1222 C ASN A 80 -3.051 7.037 4.680 1.00 0.00 C ATOM 1223 O ASN A 80 -2.126 6.545 4.034 1.00 0.00 O ATOM 1224 CB ASN A 80 -3.676 6.060 6.896 1.00 0.00 C ATOM 1225 CG ASN A 80 -3.960 7.349 7.644 1.00 0.00 C ATOM 1226 OD1 ASN A 80 -4.778 8.163 7.216 1.00 0.00 O ATOM 1227 ND2 ASN A 80 -3.284 7.542 8.771 1.00 0.00 N ATOM 0 H ASN A 80 -3.248 4.571 4.290 1.00 0.00 H new ATOM 0 HA ASN A 80 -5.040 6.589 5.324 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -4.233 5.245 7.359 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -2.618 5.816 6.988 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -3.434 8.390 9.317 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -2.615 6.842 9.091 1.00 0.00 H new ATOM 1234 N LEU A 81 -3.244 8.346 4.781 1.00 0.00 N ATOM 1235 CA LEU A 81 -2.356 9.296 4.125 1.00 0.00 C ATOM 1236 C LEU A 81 -1.042 9.430 4.890 1.00 0.00 C ATOM 1237 O LEU A 81 -1.033 9.752 6.076 1.00 0.00 O ATOM 1238 CB LEU A 81 -3.043 10.659 3.998 1.00 0.00 C ATOM 1239 CG LEU A 81 -3.072 11.232 2.583 1.00 0.00 C ATOM 1240 CD1 LEU A 81 -4.162 12.284 2.449 1.00 0.00 C ATOM 1241 CD2 LEU A 81 -1.715 11.815 2.225 1.00 0.00 C ATOM 0 H LEU A 81 -4.005 8.773 5.309 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.129 8.922 3.127 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.067 10.569 4.359 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.535 11.368 4.652 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.297 10.424 1.887 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.164 12.678 1.433 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.131 11.834 2.666 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.973 13.095 3.152 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.748 12.220 1.214 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.464 12.610 2.927 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.958 11.033 2.277 1.00 0.00 H new ATOM 1253 N ALA A 82 0.069 9.178 4.201 1.00 0.00 N ATOM 1254 CA ALA A 82 1.387 9.265 4.819 1.00 0.00 C ATOM 1255 C ALA A 82 1.682 10.684 5.292 1.00 0.00 C ATOM 1256 O ALA A 82 0.898 11.604 5.062 1.00 0.00 O ATOM 1257 CB ALA A 82 2.459 8.802 3.845 1.00 0.00 C ATOM 0 H ALA A 82 0.081 8.912 3.216 1.00 0.00 H new ATOM 0 HA ALA A 82 1.393 8.610 5.690 1.00 0.00 H new ATOM 0 HB1 ALA A 82 3.437 8.873 4.320 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.268 7.768 3.559 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.441 9.433 2.957 1.00 0.00 H new ATOM 1263 N LYS A 83 2.825 10.850 5.950 1.00 0.00 N ATOM 1264 CA LYS A 83 3.237 12.154 6.458 1.00 0.00 C ATOM 1265 C LYS A 83 4.724 12.159 6.794 1.00 0.00 C ATOM 1266 O LYS A 83 5.184 12.964 7.605 1.00 0.00 O ATOM 1267 CB LYS A 83 2.419 12.528 7.697 1.00 0.00 C ATOM 1268 CG LYS A 83 2.376 11.434 8.756 1.00 0.00 C ATOM 1269 CD LYS A 83 1.060 11.447 9.518 1.00 0.00 C ATOM 1270 CE LYS A 83 -0.115 11.097 8.617 1.00 0.00 C ATOM 1271 NZ LYS A 83 -0.772 9.825 9.027 1.00 0.00 N ATOM 0 H LYS A 83 3.484 10.096 6.144 1.00 0.00 H new ATOM 0 HA LYS A 83 3.055 12.894 5.678 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.838 13.432 8.138 1.00 0.00 H new ATOM 0 HB3 LYS A 83 1.400 12.765 7.391 1.00 0.00 H new ATOM 0 HG2 LYS A 83 2.514 10.462 8.282 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.203 11.569 9.453 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.110 10.737 10.343 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.902 12.433 9.955 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.845 11.906 8.642 1.00 0.00 H new ATOM 0 HE3 LYS A 83 0.231 11.011 7.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -1.151 9.343 8.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -0.076 9.210 9.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -1.549 10.032 9.687 1.00 0.00 H new TER 1285 LYS A 83