USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 836 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 135:sc= -0.372 (180deg=-4.84!) USER MOD Single : A 1 MET N :NH3+ 154:sc= 0.00694 (180deg=0) USER MOD Single : A 6 TYR OH : rot 16:sc= -0.0523 USER MOD Single : A 10 SER OG : rot -127:sc= -1.52 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.419 USER MOD Single : A 12 SER OG : rot 180:sc= -0.276 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 14 GLN : amide:sc= -0.138 K(o=-0.14,f=-0.78) USER MOD Single : A 15 SER OG : rot -162:sc= -0.811 USER MOD Single : A 19 GLN : amide:sc= -2.81 K(o=-2.8,f=-1.3) USER MOD Single : A 24 LYS NZ :NH3+ 158:sc= -0.227 (180deg=-0.471) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.0465 X(o=-0.047,f=0) USER MOD Single : A 35 THR OG1 : rot 61:sc= 1.26 USER MOD Single : A 37 LYS NZ :NH3+ -145:sc= -0.162 (180deg=-0.379) USER MOD Single : A 39 SER OG : rot -144:sc= 1.2 USER MOD Single : A 41 SER OG : rot 180:sc= 0.256 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 151:sc= 0 (180deg=-0.00961) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.00976 USER MOD Single : A 76 MET CE :methyl 157:sc= -0.017 (180deg=-0.975) USER MOD Single : A 78 GLN : amide:sc= -1.97 K(o=-2,f=-3.2!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= 1.09 K(o=1.1,f=-0.49) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0.00092 USER MOD Single : A 99 THR OG1 : rot -69:sc= 0.541 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.555 14.917 6.637 1.00 0.00 N ATOM 2 CA MET A 1 -2.247 13.542 6.152 1.00 0.00 C ATOM 3 C MET A 1 -3.357 12.587 6.596 1.00 0.00 C ATOM 4 O MET A 1 -3.938 12.747 7.653 1.00 0.00 O ATOM 5 CB MET A 1 -0.907 13.084 6.739 1.00 0.00 C ATOM 6 CG MET A 1 -0.115 12.317 5.678 1.00 0.00 C ATOM 7 SD MET A 1 1.292 11.487 6.458 1.00 0.00 S ATOM 8 CE MET A 1 0.347 10.236 7.360 1.00 0.00 C ATOM 0 H1 MET A 1 -1.671 15.454 6.742 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.172 15.397 5.951 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.037 14.861 7.557 1.00 0.00 H new ATOM 0 HA MET A 1 -2.184 13.542 5.064 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.335 13.946 7.081 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.078 12.450 7.609 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.757 11.585 5.188 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.235 13.001 4.905 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.825 9.264 7.242 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.313 10.498 8.418 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.668 10.192 6.965 1.00 0.00 H new ATOM 18 N ARG A 2 -3.654 11.594 5.796 1.00 0.00 N ATOM 19 CA ARG A 2 -4.726 10.624 6.165 1.00 0.00 C ATOM 20 C ARG A 2 -4.159 9.204 6.150 1.00 0.00 C ATOM 21 O ARG A 2 -3.203 8.911 5.453 1.00 0.00 O ATOM 22 CB ARG A 2 -5.881 10.728 5.165 1.00 0.00 C ATOM 23 CG ARG A 2 -6.963 11.673 5.713 1.00 0.00 C ATOM 24 CD ARG A 2 -7.275 12.761 4.683 1.00 0.00 C ATOM 25 NE ARG A 2 -8.352 13.652 5.212 1.00 0.00 N ATOM 26 CZ ARG A 2 -8.611 14.821 4.660 1.00 0.00 C ATOM 27 NH1 ARG A 2 -7.935 15.257 3.621 1.00 0.00 N ATOM 28 NH2 ARG A 2 -9.563 15.564 5.157 1.00 0.00 N ATOM 0 H ARG A 2 -3.198 11.414 4.901 1.00 0.00 H new ATOM 0 HA ARG A 2 -5.094 10.855 7.165 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -5.513 11.098 4.208 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -6.306 9.741 4.983 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -7.867 11.109 5.945 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -6.624 12.128 6.644 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -6.378 13.343 4.470 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -7.592 12.308 3.744 1.00 0.00 H new ATOM 0 HE ARG A 2 -8.899 13.349 6.018 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -7.189 14.687 3.222 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -8.156 16.165 3.213 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -10.096 15.238 5.963 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -9.773 16.470 4.739 1.00 0.00 H new ATOM 42 N LEU A 3 -4.747 8.322 6.917 1.00 0.00 N ATOM 43 CA LEU A 3 -4.258 6.915 6.965 1.00 0.00 C ATOM 44 C LEU A 3 -5.231 6.013 6.202 1.00 0.00 C ATOM 45 O LEU A 3 -6.055 5.335 6.791 1.00 0.00 O ATOM 46 CB LEU A 3 -4.172 6.456 8.424 1.00 0.00 C ATOM 47 CG LEU A 3 -3.287 7.421 9.218 1.00 0.00 C ATOM 48 CD1 LEU A 3 -3.827 7.554 10.643 1.00 0.00 C ATOM 49 CD2 LEU A 3 -1.855 6.882 9.263 1.00 0.00 C ATOM 0 H LEU A 3 -5.550 8.519 7.515 1.00 0.00 H new ATOM 0 HA LEU A 3 -3.271 6.855 6.506 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -5.169 6.418 8.862 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -3.763 5.447 8.474 1.00 0.00 H new ATOM 0 HG LEU A 3 -3.292 8.398 8.735 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.197 8.241 11.208 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.846 7.939 10.611 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -3.823 6.577 11.126 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.225 7.569 9.828 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -1.849 5.904 9.745 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.469 6.788 8.248 1.00 0.00 H new ATOM 61 N PHE A 4 -5.138 5.999 4.897 1.00 0.00 N ATOM 62 CA PHE A 4 -6.050 5.142 4.084 1.00 0.00 C ATOM 63 C PHE A 4 -5.521 3.707 4.079 1.00 0.00 C ATOM 64 O PHE A 4 -4.333 3.479 3.949 1.00 0.00 O ATOM 65 CB PHE A 4 -6.102 5.670 2.648 1.00 0.00 C ATOM 66 CG PHE A 4 -6.976 6.901 2.592 1.00 0.00 C ATOM 67 CD1 PHE A 4 -8.350 6.775 2.350 1.00 0.00 C ATOM 68 CD2 PHE A 4 -6.411 8.167 2.781 1.00 0.00 C ATOM 69 CE1 PHE A 4 -9.158 7.918 2.296 1.00 0.00 C ATOM 70 CE2 PHE A 4 -7.221 9.310 2.728 1.00 0.00 C ATOM 71 CZ PHE A 4 -8.594 9.184 2.484 1.00 0.00 C ATOM 0 H PHE A 4 -4.467 6.547 4.358 1.00 0.00 H new ATOM 0 HA PHE A 4 -7.051 5.163 4.514 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -5.097 5.909 2.301 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -6.495 4.902 1.981 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -8.786 5.798 2.205 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -5.352 8.264 2.968 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -10.217 7.822 2.109 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.786 10.288 2.875 1.00 0.00 H new ATOM 0 HZ PHE A 4 -9.218 10.065 2.441 1.00 0.00 H new ATOM 81 N GLY A 5 -6.392 2.742 4.222 1.00 0.00 N ATOM 82 CA GLY A 5 -5.942 1.319 4.231 1.00 0.00 C ATOM 83 C GLY A 5 -6.832 0.486 3.306 1.00 0.00 C ATOM 84 O GLY A 5 -8.042 0.478 3.436 1.00 0.00 O ATOM 0 H GLY A 5 -7.397 2.879 4.333 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -4.904 1.255 3.906 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -5.984 0.922 5.245 1.00 0.00 H new ATOM 88 N TYR A 6 -6.237 -0.217 2.377 1.00 0.00 N ATOM 89 CA TYR A 6 -7.032 -1.062 1.440 1.00 0.00 C ATOM 90 C TYR A 6 -7.245 -2.441 2.069 1.00 0.00 C ATOM 91 O TYR A 6 -6.412 -2.920 2.817 1.00 0.00 O ATOM 92 CB TYR A 6 -6.272 -1.206 0.117 1.00 0.00 C ATOM 93 CG TYR A 6 -7.146 -1.896 -0.903 1.00 0.00 C ATOM 94 CD1 TYR A 6 -8.437 -1.418 -1.161 1.00 0.00 C ATOM 95 CD2 TYR A 6 -6.664 -3.015 -1.593 1.00 0.00 C ATOM 96 CE1 TYR A 6 -9.243 -2.058 -2.105 1.00 0.00 C ATOM 97 CE2 TYR A 6 -7.473 -3.657 -2.538 1.00 0.00 C ATOM 98 CZ TYR A 6 -8.764 -3.178 -2.794 1.00 0.00 C ATOM 99 OH TYR A 6 -9.561 -3.808 -3.727 1.00 0.00 O ATOM 0 H TYR A 6 -5.228 -0.241 2.227 1.00 0.00 H new ATOM 0 HA TYR A 6 -7.999 -0.597 1.249 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -5.974 -0.224 -0.251 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -5.358 -1.779 0.273 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -8.809 -0.554 -0.630 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -5.668 -3.383 -1.396 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -10.238 -1.688 -2.304 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -7.102 -4.521 -3.069 1.00 0.00 H new ATOM 0 HH TYR A 6 -10.305 -3.220 -3.972 1.00 0.00 H new ATOM 109 N ALA A 7 -8.357 -3.079 1.786 1.00 0.00 N ATOM 110 CA ALA A 7 -8.619 -4.422 2.386 1.00 0.00 C ATOM 111 C ALA A 7 -9.498 -5.265 1.455 1.00 0.00 C ATOM 112 O ALA A 7 -10.711 -5.232 1.541 1.00 0.00 O ATOM 113 CB ALA A 7 -9.333 -4.246 3.729 1.00 0.00 C ATOM 0 H ALA A 7 -9.089 -2.728 1.169 1.00 0.00 H new ATOM 0 HA ALA A 7 -7.667 -4.933 2.531 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.526 -5.224 4.170 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.704 -3.663 4.402 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.278 -3.726 3.573 1.00 0.00 H new ATOM 119 N ARG A 8 -8.895 -6.039 0.589 1.00 0.00 N ATOM 120 CA ARG A 8 -9.694 -6.908 -0.325 1.00 0.00 C ATOM 121 C ARG A 8 -9.910 -8.258 0.362 1.00 0.00 C ATOM 122 O ARG A 8 -8.990 -9.033 0.531 1.00 0.00 O ATOM 123 CB ARG A 8 -8.937 -7.110 -1.643 1.00 0.00 C ATOM 124 CG ARG A 8 -9.936 -7.151 -2.808 1.00 0.00 C ATOM 125 CD ARG A 8 -10.156 -8.598 -3.250 1.00 0.00 C ATOM 126 NE ARG A 8 -8.840 -9.224 -3.583 1.00 0.00 N ATOM 127 CZ ARG A 8 -8.756 -10.481 -3.975 1.00 0.00 C ATOM 128 NH1 ARG A 8 -9.823 -11.239 -4.089 1.00 0.00 N ATOM 129 NH2 ARG A 8 -7.585 -10.984 -4.256 1.00 0.00 N ATOM 0 H ARG A 8 -7.884 -6.106 0.476 1.00 0.00 H new ATOM 0 HA ARG A 8 -10.654 -6.441 -0.543 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.222 -6.301 -1.792 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.365 -8.037 -1.608 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -10.883 -6.706 -2.503 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.560 -6.559 -3.643 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -10.648 -9.161 -2.457 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -10.815 -8.628 -4.118 1.00 0.00 H new ATOM 0 HE ARG A 8 -7.989 -8.667 -3.506 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -10.744 -10.859 -3.872 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -9.730 -12.208 -4.394 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -6.748 -10.407 -4.171 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -7.506 -11.954 -4.560 1.00 0.00 H new ATOM 143 N VAL A 9 -11.122 -8.534 0.780 1.00 0.00 N ATOM 144 CA VAL A 9 -11.409 -9.825 1.485 1.00 0.00 C ATOM 145 C VAL A 9 -10.979 -11.018 0.631 1.00 0.00 C ATOM 146 O VAL A 9 -10.416 -10.868 -0.437 1.00 0.00 O ATOM 147 CB VAL A 9 -12.908 -9.933 1.775 1.00 0.00 C ATOM 148 CG1 VAL A 9 -13.323 -8.835 2.754 1.00 0.00 C ATOM 149 CG2 VAL A 9 -13.697 -9.785 0.473 1.00 0.00 C ATOM 0 H VAL A 9 -11.928 -7.919 0.663 1.00 0.00 H new ATOM 0 HA VAL A 9 -10.846 -9.837 2.418 1.00 0.00 H new ATOM 0 HB VAL A 9 -13.119 -10.907 2.215 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -14.391 -8.914 2.959 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -12.766 -8.947 3.684 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -13.109 -7.859 2.318 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -14.764 -9.862 0.683 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -13.485 -8.813 0.027 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -13.406 -10.574 -0.221 1.00 0.00 H new ATOM 159 N SER A 10 -11.252 -12.203 1.105 1.00 0.00 N ATOM 160 CA SER A 10 -10.880 -13.434 0.351 1.00 0.00 C ATOM 161 C SER A 10 -11.711 -14.610 0.867 1.00 0.00 C ATOM 162 O SER A 10 -12.209 -15.410 0.095 1.00 0.00 O ATOM 163 CB SER A 10 -9.395 -13.730 0.556 1.00 0.00 C ATOM 164 OG SER A 10 -9.012 -14.809 -0.286 1.00 0.00 O ATOM 0 H SER A 10 -11.723 -12.372 1.994 1.00 0.00 H new ATOM 0 HA SER A 10 -11.075 -13.285 -0.711 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.801 -12.846 0.326 1.00 0.00 H new ATOM 0 HB3 SER A 10 -9.203 -13.981 1.599 1.00 0.00 H new ATOM 0 HG SER A 10 -8.572 -15.502 0.250 1.00 0.00 H new ATOM 170 N THR A 11 -11.865 -14.721 2.165 1.00 0.00 N ATOM 171 CA THR A 11 -12.663 -15.845 2.733 1.00 0.00 C ATOM 172 C THR A 11 -14.155 -15.480 2.717 1.00 0.00 C ATOM 173 O THR A 11 -14.580 -14.624 1.962 1.00 0.00 O ATOM 174 CB THR A 11 -12.190 -16.143 4.164 1.00 0.00 C ATOM 175 OG1 THR A 11 -12.934 -17.232 4.693 1.00 0.00 O ATOM 176 CG2 THR A 11 -12.383 -14.912 5.054 1.00 0.00 C ATOM 0 H THR A 11 -11.471 -14.080 2.853 1.00 0.00 H new ATOM 0 HA THR A 11 -12.519 -16.740 2.127 1.00 0.00 H new ATOM 0 HB THR A 11 -11.131 -16.399 4.140 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.631 -17.423 5.605 1.00 0.00 H new ATOM 0 HG21 THR A 11 -12.044 -15.137 6.065 1.00 0.00 H new ATOM 0 HG22 THR A 11 -11.804 -14.079 4.654 1.00 0.00 H new ATOM 0 HG23 THR A 11 -13.439 -14.642 5.077 1.00 0.00 H new ATOM 184 N SER A 12 -14.952 -16.132 3.528 1.00 0.00 N ATOM 185 CA SER A 12 -16.418 -15.840 3.546 1.00 0.00 C ATOM 186 C SER A 12 -16.870 -15.461 4.955 1.00 0.00 C ATOM 187 O SER A 12 -17.687 -14.579 5.144 1.00 0.00 O ATOM 188 CB SER A 12 -17.172 -17.095 3.109 1.00 0.00 C ATOM 189 OG SER A 12 -17.179 -18.042 4.170 1.00 0.00 O ATOM 0 H SER A 12 -14.649 -16.856 4.180 1.00 0.00 H new ATOM 0 HA SER A 12 -16.625 -15.009 2.871 1.00 0.00 H new ATOM 0 HB2 SER A 12 -18.194 -16.839 2.830 1.00 0.00 H new ATOM 0 HB3 SER A 12 -16.700 -17.526 2.226 1.00 0.00 H new ATOM 0 HG SER A 12 -17.664 -18.845 3.888 1.00 0.00 H new ATOM 195 N GLN A 13 -16.362 -16.148 5.940 1.00 0.00 N ATOM 196 CA GLN A 13 -16.756 -15.885 7.358 1.00 0.00 C ATOM 197 C GLN A 13 -16.697 -14.381 7.687 1.00 0.00 C ATOM 198 O GLN A 13 -17.720 -13.726 7.772 1.00 0.00 O ATOM 199 CB GLN A 13 -15.809 -16.670 8.265 1.00 0.00 C ATOM 200 CG GLN A 13 -16.209 -16.482 9.732 1.00 0.00 C ATOM 201 CD GLN A 13 -15.413 -17.452 10.608 1.00 0.00 C ATOM 202 OE1 GLN A 13 -14.207 -17.538 10.497 1.00 0.00 O ATOM 203 NE2 GLN A 13 -16.043 -18.192 11.478 1.00 0.00 N ATOM 0 H GLN A 13 -15.678 -16.895 5.822 1.00 0.00 H new ATOM 0 HA GLN A 13 -17.786 -16.205 7.516 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -15.838 -17.728 8.005 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -14.784 -16.332 8.113 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -16.018 -15.455 10.043 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -17.278 -16.659 9.854 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -17.056 -18.119 11.571 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -15.522 -18.843 12.066 1.00 0.00 H new ATOM 212 N GLN A 14 -15.521 -13.833 7.882 1.00 0.00 N ATOM 213 CA GLN A 14 -15.423 -12.378 8.213 1.00 0.00 C ATOM 214 C GLN A 14 -14.072 -11.826 7.743 1.00 0.00 C ATOM 215 O GLN A 14 -13.287 -11.320 8.525 1.00 0.00 O ATOM 216 CB GLN A 14 -15.563 -12.192 9.728 1.00 0.00 C ATOM 217 CG GLN A 14 -14.503 -13.029 10.452 1.00 0.00 C ATOM 218 CD GLN A 14 -15.071 -13.538 11.776 1.00 0.00 C ATOM 219 OE1 GLN A 14 -15.905 -12.892 12.381 1.00 0.00 O ATOM 220 NE2 GLN A 14 -14.651 -14.676 12.258 1.00 0.00 N ATOM 0 H GLN A 14 -14.631 -14.328 7.826 1.00 0.00 H new ATOM 0 HA GLN A 14 -16.221 -11.836 7.706 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -15.448 -11.139 9.987 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -16.560 -12.493 10.050 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -14.199 -13.869 9.828 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -13.612 -12.428 10.634 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -13.951 -15.218 11.750 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -15.022 -15.024 13.142 1.00 0.00 H new ATOM 229 N SER A 15 -13.801 -11.919 6.467 1.00 0.00 N ATOM 230 CA SER A 15 -12.506 -11.401 5.930 1.00 0.00 C ATOM 231 C SER A 15 -12.473 -9.875 6.059 1.00 0.00 C ATOM 232 O SER A 15 -11.462 -9.297 6.412 1.00 0.00 O ATOM 233 CB SER A 15 -12.363 -11.797 4.456 1.00 0.00 C ATOM 234 OG SER A 15 -13.633 -12.173 3.936 1.00 0.00 O ATOM 0 H SER A 15 -14.422 -12.332 5.771 1.00 0.00 H new ATOM 0 HA SER A 15 -11.681 -11.830 6.499 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.957 -10.963 3.883 1.00 0.00 H new ATOM 0 HB3 SER A 15 -11.660 -12.624 4.358 1.00 0.00 H new ATOM 0 HG SER A 15 -13.509 -12.687 3.111 1.00 0.00 H new ATOM 240 N LEU A 16 -13.572 -9.223 5.778 1.00 0.00 N ATOM 241 CA LEU A 16 -13.621 -7.733 5.884 1.00 0.00 C ATOM 242 C LEU A 16 -13.309 -7.321 7.331 1.00 0.00 C ATOM 243 O LEU A 16 -12.597 -6.364 7.571 1.00 0.00 O ATOM 244 CB LEU A 16 -15.025 -7.252 5.464 1.00 0.00 C ATOM 245 CG LEU A 16 -15.245 -5.775 5.840 1.00 0.00 C ATOM 246 CD1 LEU A 16 -15.999 -5.063 4.715 1.00 0.00 C ATOM 247 CD2 LEU A 16 -16.068 -5.695 7.128 1.00 0.00 C ATOM 0 H LEU A 16 -14.443 -9.661 5.478 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.881 -7.276 5.227 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -15.148 -7.378 4.388 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -15.783 -7.869 5.946 1.00 0.00 H new ATOM 0 HG LEU A 16 -14.278 -5.294 5.990 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -16.153 -4.018 4.985 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -15.417 -5.118 3.795 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -16.965 -5.544 4.563 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -16.225 -4.650 7.395 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -17.033 -6.179 6.974 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -15.534 -6.199 7.933 1.00 0.00 H new ATOM 259 N ASP A 17 -13.835 -8.038 8.286 1.00 0.00 N ATOM 260 CA ASP A 17 -13.575 -7.695 9.715 1.00 0.00 C ATOM 261 C ASP A 17 -12.103 -7.950 10.040 1.00 0.00 C ATOM 262 O ASP A 17 -11.425 -7.105 10.594 1.00 0.00 O ATOM 263 CB ASP A 17 -14.456 -8.562 10.613 1.00 0.00 C ATOM 264 CG ASP A 17 -14.858 -7.768 11.857 1.00 0.00 C ATOM 265 OD1 ASP A 17 -14.079 -7.742 12.795 1.00 0.00 O ATOM 266 OD2 ASP A 17 -15.938 -7.201 11.850 1.00 0.00 O ATOM 0 H ASP A 17 -14.436 -8.849 8.139 1.00 0.00 H new ATOM 0 HA ASP A 17 -13.806 -6.644 9.886 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -15.345 -8.880 10.069 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -13.919 -9.465 10.903 1.00 0.00 H new ATOM 271 N ILE A 18 -11.605 -9.110 9.693 1.00 0.00 N ATOM 272 CA ILE A 18 -10.176 -9.433 9.972 1.00 0.00 C ATOM 273 C ILE A 18 -9.280 -8.464 9.196 1.00 0.00 C ATOM 274 O ILE A 18 -8.253 -8.031 9.683 1.00 0.00 O ATOM 275 CB ILE A 18 -9.880 -10.867 9.522 1.00 0.00 C ATOM 276 CG1 ILE A 18 -10.855 -11.833 10.206 1.00 0.00 C ATOM 277 CG2 ILE A 18 -8.445 -11.241 9.902 1.00 0.00 C ATOM 278 CD1 ILE A 18 -11.218 -12.962 9.237 1.00 0.00 C ATOM 0 H ILE A 18 -12.131 -9.849 9.226 1.00 0.00 H new ATOM 0 HA ILE A 18 -9.982 -9.339 11.040 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.999 -10.935 8.441 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -10.403 -12.245 11.108 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -11.755 -11.301 10.515 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -8.238 -12.262 9.580 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.750 -10.558 9.414 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.324 -11.170 10.983 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -11.911 -13.649 9.722 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -11.687 -12.541 8.348 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.314 -13.500 8.950 1.00 0.00 H new ATOM 290 N GLN A 19 -9.661 -8.135 7.989 1.00 0.00 N ATOM 291 CA GLN A 19 -8.838 -7.206 7.166 1.00 0.00 C ATOM 292 C GLN A 19 -8.788 -5.832 7.834 1.00 0.00 C ATOM 293 O GLN A 19 -7.723 -5.314 8.110 1.00 0.00 O ATOM 294 CB GLN A 19 -9.458 -7.079 5.777 1.00 0.00 C ATOM 295 CG GLN A 19 -8.986 -8.246 4.907 1.00 0.00 C ATOM 296 CD GLN A 19 -7.767 -7.819 4.093 1.00 0.00 C ATOM 297 OE1 GLN A 19 -6.658 -7.820 4.589 1.00 0.00 O ATOM 298 NE2 GLN A 19 -7.928 -7.450 2.855 1.00 0.00 N ATOM 0 H GLN A 19 -10.511 -8.473 7.538 1.00 0.00 H new ATOM 0 HA GLN A 19 -7.825 -7.598 7.079 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.546 -7.080 5.850 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.170 -6.131 5.322 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -8.735 -9.102 5.534 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -9.788 -8.563 4.240 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -8.860 -7.450 2.440 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -7.122 -7.161 2.300 1.00 0.00 H new ATOM 307 N VAL A 20 -9.931 -5.233 8.108 1.00 0.00 N ATOM 308 CA VAL A 20 -9.949 -3.882 8.769 1.00 0.00 C ATOM 309 C VAL A 20 -9.079 -3.926 10.034 1.00 0.00 C ATOM 310 O VAL A 20 -8.261 -3.056 10.264 1.00 0.00 O ATOM 311 CB VAL A 20 -11.400 -3.502 9.125 1.00 0.00 C ATOM 312 CG1 VAL A 20 -11.432 -2.212 9.954 1.00 0.00 C ATOM 313 CG2 VAL A 20 -12.201 -3.288 7.833 1.00 0.00 C ATOM 0 H VAL A 20 -10.851 -5.622 7.902 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.548 -3.130 8.089 1.00 0.00 H new ATOM 0 HB VAL A 20 -11.839 -4.310 9.711 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -12.465 -1.960 10.195 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.869 -2.358 10.876 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -10.985 -1.400 9.381 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -13.228 -3.019 8.082 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -11.746 -2.486 7.252 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -12.198 -4.207 7.247 1.00 0.00 H new ATOM 323 N ARG A 21 -9.236 -4.950 10.835 1.00 0.00 N ATOM 324 CA ARG A 21 -8.406 -5.076 12.069 1.00 0.00 C ATOM 325 C ARG A 21 -6.928 -5.130 11.669 1.00 0.00 C ATOM 326 O ARG A 21 -6.060 -4.710 12.408 1.00 0.00 O ATOM 327 CB ARG A 21 -8.781 -6.363 12.812 1.00 0.00 C ATOM 328 CG ARG A 21 -10.301 -6.420 13.031 1.00 0.00 C ATOM 329 CD ARG A 21 -10.622 -6.167 14.508 1.00 0.00 C ATOM 330 NE ARG A 21 -10.920 -4.714 14.711 1.00 0.00 N ATOM 331 CZ ARG A 21 -12.078 -4.194 14.360 1.00 0.00 C ATOM 332 NH1 ARG A 21 -13.024 -4.924 13.814 1.00 0.00 N ATOM 333 NH2 ARG A 21 -12.292 -2.922 14.559 1.00 0.00 N ATOM 0 H ARG A 21 -9.905 -5.705 10.686 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.583 -4.221 12.721 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -8.455 -7.231 12.239 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -8.265 -6.402 13.772 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -10.796 -5.674 12.409 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -10.685 -7.394 12.727 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -11.476 -6.771 14.814 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -9.780 -6.467 15.131 1.00 0.00 H new ATOM 0 HE ARG A 21 -10.210 -4.113 15.131 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -12.871 -5.919 13.652 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -13.912 -4.495 13.552 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -11.567 -2.343 14.982 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -13.185 -2.507 14.292 1.00 0.00 H new ATOM 347 N ALA A 22 -6.646 -5.634 10.490 1.00 0.00 N ATOM 348 CA ALA A 22 -5.236 -5.707 10.020 1.00 0.00 C ATOM 349 C ALA A 22 -4.781 -4.313 9.581 1.00 0.00 C ATOM 350 O ALA A 22 -3.647 -3.926 9.796 1.00 0.00 O ATOM 351 CB ALA A 22 -5.143 -6.680 8.838 1.00 0.00 C ATOM 0 H ALA A 22 -7.338 -5.998 9.835 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.594 -6.061 10.827 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -4.111 -6.735 8.492 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.473 -7.670 9.155 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.779 -6.328 8.026 1.00 0.00 H new ATOM 357 N LEU A 23 -5.662 -3.550 8.976 1.00 0.00 N ATOM 358 CA LEU A 23 -5.280 -2.172 8.535 1.00 0.00 C ATOM 359 C LEU A 23 -5.198 -1.273 9.768 1.00 0.00 C ATOM 360 O LEU A 23 -4.309 -0.453 9.893 1.00 0.00 O ATOM 361 CB LEU A 23 -6.324 -1.585 7.559 1.00 0.00 C ATOM 362 CG LEU A 23 -6.914 -2.659 6.627 1.00 0.00 C ATOM 363 CD1 LEU A 23 -7.765 -1.976 5.553 1.00 0.00 C ATOM 364 CD2 LEU A 23 -5.796 -3.460 5.946 1.00 0.00 C ATOM 0 H LEU A 23 -6.623 -3.821 8.770 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.320 -2.224 8.021 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.128 -1.117 8.127 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.860 -0.802 6.960 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.524 -3.341 7.219 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.187 -2.730 4.889 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.572 -1.419 6.028 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.143 -1.292 4.976 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.235 -4.213 5.292 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.173 -2.787 5.357 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.185 -3.949 6.705 1.00 0.00 H new ATOM 376 N LYS A 24 -6.125 -1.428 10.683 1.00 0.00 N ATOM 377 CA LYS A 24 -6.113 -0.589 11.917 1.00 0.00 C ATOM 378 C LYS A 24 -4.862 -0.924 12.725 1.00 0.00 C ATOM 379 O LYS A 24 -4.167 -0.046 13.200 1.00 0.00 O ATOM 380 CB LYS A 24 -7.365 -0.873 12.763 1.00 0.00 C ATOM 381 CG LYS A 24 -8.627 -0.875 11.879 1.00 0.00 C ATOM 382 CD LYS A 24 -9.528 0.324 12.224 1.00 0.00 C ATOM 383 CE LYS A 24 -10.932 -0.158 12.614 1.00 0.00 C ATOM 384 NZ LYS A 24 -11.196 0.190 14.039 1.00 0.00 N ATOM 0 H LYS A 24 -6.889 -2.101 10.626 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.110 0.466 11.641 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.262 -1.837 13.262 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.462 -0.118 13.543 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.342 -0.833 10.828 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.178 -1.805 12.023 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.090 0.892 13.045 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.592 0.997 11.369 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.680 0.306 11.970 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.012 -1.236 12.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -12.222 0.217 14.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.764 -0.526 14.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.787 1.122 14.250 1.00 0.00 H new ATOM 398 N ASP A 25 -4.554 -2.191 12.860 1.00 0.00 N ATOM 399 CA ASP A 25 -3.332 -2.598 13.607 1.00 0.00 C ATOM 400 C ASP A 25 -2.116 -1.988 12.915 1.00 0.00 C ATOM 401 O ASP A 25 -1.151 -1.595 13.540 1.00 0.00 O ATOM 402 CB ASP A 25 -3.211 -4.120 13.579 1.00 0.00 C ATOM 403 CG ASP A 25 -2.399 -4.595 14.785 1.00 0.00 C ATOM 404 OD1 ASP A 25 -1.183 -4.526 14.720 1.00 0.00 O ATOM 405 OD2 ASP A 25 -3.007 -5.021 15.753 1.00 0.00 O ATOM 0 H ASP A 25 -5.103 -2.963 12.481 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.391 -2.255 14.640 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.202 -4.574 13.594 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.729 -4.439 12.655 1.00 0.00 H new ATOM 410 N ALA A 26 -2.181 -1.905 11.614 1.00 0.00 N ATOM 411 CA ALA A 26 -1.069 -1.320 10.828 1.00 0.00 C ATOM 412 C ALA A 26 -0.986 0.180 11.112 1.00 0.00 C ATOM 413 O ALA A 26 0.078 0.770 11.083 1.00 0.00 O ATOM 414 CB ALA A 26 -1.362 -1.541 9.345 1.00 0.00 C ATOM 0 H ALA A 26 -2.974 -2.225 11.057 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.124 -1.790 11.099 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.555 -1.117 8.748 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.439 -2.610 9.145 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.301 -1.054 9.083 1.00 0.00 H new ATOM 420 N GLY A 27 -2.109 0.801 11.374 1.00 0.00 N ATOM 421 CA GLY A 27 -2.117 2.267 11.648 1.00 0.00 C ATOM 422 C GLY A 27 -3.039 2.939 10.638 1.00 0.00 C ATOM 423 O GLY A 27 -2.722 3.969 10.074 1.00 0.00 O ATOM 0 H GLY A 27 -3.024 0.351 11.410 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.461 2.461 12.664 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.108 2.673 11.570 1.00 0.00 H new ATOM 427 N VAL A 28 -4.179 2.346 10.400 1.00 0.00 N ATOM 428 CA VAL A 28 -5.143 2.912 9.422 1.00 0.00 C ATOM 429 C VAL A 28 -6.404 3.362 10.165 1.00 0.00 C ATOM 430 O VAL A 28 -6.869 2.698 11.074 1.00 0.00 O ATOM 431 CB VAL A 28 -5.479 1.825 8.393 1.00 0.00 C ATOM 432 CG1 VAL A 28 -6.495 2.346 7.375 1.00 0.00 C ATOM 433 CG2 VAL A 28 -4.201 1.420 7.659 1.00 0.00 C ATOM 0 H VAL A 28 -4.483 1.483 10.850 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.717 3.774 8.910 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.907 0.967 8.912 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.722 1.562 6.653 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.409 2.639 7.891 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.079 3.209 6.855 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.432 0.647 6.926 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.782 2.289 7.151 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.476 1.035 8.376 1.00 0.00 H new ATOM 443 N LYS A 29 -6.954 4.485 9.784 1.00 0.00 N ATOM 444 CA LYS A 29 -8.182 4.993 10.462 1.00 0.00 C ATOM 445 C LYS A 29 -9.387 4.143 10.038 1.00 0.00 C ATOM 446 O LYS A 29 -9.523 3.778 8.885 1.00 0.00 O ATOM 447 CB LYS A 29 -8.406 6.458 10.059 1.00 0.00 C ATOM 448 CG LYS A 29 -8.512 7.336 11.313 1.00 0.00 C ATOM 449 CD LYS A 29 -7.768 8.653 11.082 1.00 0.00 C ATOM 450 CE LYS A 29 -8.479 9.780 11.834 1.00 0.00 C ATOM 451 NZ LYS A 29 -8.339 11.054 11.072 1.00 0.00 N ATOM 0 H LYS A 29 -6.603 5.074 9.029 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.064 4.928 11.544 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.583 6.802 9.433 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.316 6.546 9.465 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.559 7.534 11.543 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.090 6.814 12.172 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.737 8.566 11.426 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.730 8.880 10.016 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.533 9.536 11.964 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.052 9.892 12.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.822 11.820 11.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.331 11.289 10.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.766 10.944 10.130 1.00 0.00 H new ATOM 465 N ALA A 30 -10.262 3.832 10.964 1.00 0.00 N ATOM 466 CA ALA A 30 -11.462 3.011 10.621 1.00 0.00 C ATOM 467 C ALA A 30 -12.320 3.767 9.607 1.00 0.00 C ATOM 468 O ALA A 30 -12.931 3.179 8.734 1.00 0.00 O ATOM 469 CB ALA A 30 -12.280 2.745 11.883 1.00 0.00 C ATOM 0 H ALA A 30 -10.195 4.112 11.942 1.00 0.00 H new ATOM 0 HA ALA A 30 -11.141 2.061 10.193 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -13.155 2.146 11.630 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -11.668 2.206 12.606 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -12.602 3.693 12.315 1.00 0.00 H new ATOM 475 N ASN A 31 -12.365 5.071 9.717 1.00 0.00 N ATOM 476 CA ASN A 31 -13.169 5.882 8.764 1.00 0.00 C ATOM 477 C ASN A 31 -12.554 5.779 7.363 1.00 0.00 C ATOM 478 O ASN A 31 -13.228 5.968 6.368 1.00 0.00 O ATOM 479 CB ASN A 31 -13.165 7.343 9.230 1.00 0.00 C ATOM 480 CG ASN A 31 -14.594 7.888 9.239 1.00 0.00 C ATOM 481 OD1 ASN A 31 -14.910 8.813 8.519 1.00 0.00 O ATOM 482 ND2 ASN A 31 -15.477 7.346 10.031 1.00 0.00 N ATOM 0 H ASN A 31 -11.875 5.608 10.432 1.00 0.00 H new ATOM 0 HA ASN A 31 -14.194 5.513 8.730 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -12.732 7.415 10.228 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -12.541 7.944 8.568 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -16.434 7.699 10.046 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -15.211 6.569 10.636 1.00 0.00 H new ATOM 489 N ARG A 32 -11.278 5.484 7.278 1.00 0.00 N ATOM 490 CA ARG A 32 -10.615 5.369 5.942 1.00 0.00 C ATOM 491 C ARG A 32 -10.249 3.903 5.684 1.00 0.00 C ATOM 492 O ARG A 32 -9.097 3.565 5.473 1.00 0.00 O ATOM 493 CB ARG A 32 -9.341 6.236 5.893 1.00 0.00 C ATOM 494 CG ARG A 32 -9.535 7.539 6.685 1.00 0.00 C ATOM 495 CD ARG A 32 -8.800 8.689 5.988 1.00 0.00 C ATOM 496 NE ARG A 32 -9.797 9.682 5.483 1.00 0.00 N ATOM 497 CZ ARG A 32 -10.482 10.449 6.307 1.00 0.00 C ATOM 498 NH1 ARG A 32 -10.322 10.376 7.609 1.00 0.00 N ATOM 499 NH2 ARG A 32 -11.344 11.301 5.819 1.00 0.00 N ATOM 0 H ARG A 32 -10.667 5.318 8.078 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.304 5.720 5.174 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.500 5.678 6.304 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.094 6.468 4.857 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.597 7.771 6.766 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.157 7.417 7.700 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -8.112 9.170 6.683 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.202 8.305 5.162 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.950 9.768 4.478 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.655 9.714 8.004 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.865 10.982 8.224 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -11.481 11.367 4.810 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -11.880 11.900 6.447 1.00 0.00 H new ATOM 513 N ILE A 33 -11.225 3.032 5.696 1.00 0.00 N ATOM 514 CA ILE A 33 -10.953 1.587 5.450 1.00 0.00 C ATOM 515 C ILE A 33 -11.585 1.183 4.114 1.00 0.00 C ATOM 516 O ILE A 33 -12.711 0.727 4.065 1.00 0.00 O ATOM 517 CB ILE A 33 -11.556 0.755 6.592 1.00 0.00 C ATOM 518 CG1 ILE A 33 -10.892 1.163 7.918 1.00 0.00 C ATOM 519 CG2 ILE A 33 -11.337 -0.746 6.342 1.00 0.00 C ATOM 520 CD1 ILE A 33 -9.393 0.833 7.896 1.00 0.00 C ATOM 0 H ILE A 33 -12.204 3.263 5.867 1.00 0.00 H new ATOM 0 HA ILE A 33 -9.878 1.409 5.410 1.00 0.00 H new ATOM 0 HB ILE A 33 -12.629 0.943 6.641 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -11.032 2.231 8.088 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -11.372 0.643 8.747 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -11.771 -1.319 7.162 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -11.816 -1.033 5.406 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -10.268 -0.953 6.281 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -8.941 1.129 8.843 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -9.258 -0.239 7.749 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.913 1.374 7.080 1.00 0.00 H new ATOM 532 N PHE A 34 -10.864 1.349 3.035 1.00 0.00 N ATOM 533 CA PHE A 34 -11.412 0.980 1.698 1.00 0.00 C ATOM 534 C PHE A 34 -11.314 -0.536 1.513 1.00 0.00 C ATOM 535 O PHE A 34 -10.403 -1.036 0.884 1.00 0.00 O ATOM 536 CB PHE A 34 -10.611 1.685 0.602 1.00 0.00 C ATOM 537 CG PHE A 34 -11.120 3.098 0.442 1.00 0.00 C ATOM 538 CD1 PHE A 34 -10.893 4.041 1.450 1.00 0.00 C ATOM 539 CD2 PHE A 34 -11.822 3.463 -0.714 1.00 0.00 C ATOM 540 CE1 PHE A 34 -11.365 5.351 1.304 1.00 0.00 C ATOM 541 CE2 PHE A 34 -12.294 4.773 -0.861 1.00 0.00 C ATOM 542 CZ PHE A 34 -12.066 5.716 0.149 1.00 0.00 C ATOM 0 H PHE A 34 -9.916 1.726 3.024 1.00 0.00 H new ATOM 0 HA PHE A 34 -12.455 1.288 1.633 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -9.552 1.695 0.859 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -10.706 1.143 -0.339 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -10.353 3.758 2.342 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -11.999 2.734 -1.491 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -11.188 6.079 2.082 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -12.834 5.056 -1.753 1.00 0.00 H new ATOM 0 HZ PHE A 34 -12.432 6.726 0.036 1.00 0.00 H new ATOM 552 N THR A 35 -12.252 -1.264 2.062 1.00 0.00 N ATOM 553 CA THR A 35 -12.230 -2.749 1.930 1.00 0.00 C ATOM 554 C THR A 35 -13.252 -3.179 0.875 1.00 0.00 C ATOM 555 O THR A 35 -14.230 -2.497 0.633 1.00 0.00 O ATOM 556 CB THR A 35 -12.566 -3.400 3.278 1.00 0.00 C ATOM 557 OG1 THR A 35 -12.582 -4.812 3.126 1.00 0.00 O ATOM 558 CG2 THR A 35 -13.936 -2.925 3.770 1.00 0.00 C ATOM 0 H THR A 35 -13.035 -0.891 2.598 1.00 0.00 H new ATOM 0 HA THR A 35 -11.235 -3.070 1.623 1.00 0.00 H new ATOM 0 HB THR A 35 -11.810 -3.114 4.009 1.00 0.00 H new ATOM 0 HG1 THR A 35 -11.699 -5.119 2.832 1.00 0.00 H new ATOM 0 HG21 THR A 35 -14.162 -3.395 4.727 1.00 0.00 H new ATOM 0 HG22 THR A 35 -13.924 -1.842 3.891 1.00 0.00 H new ATOM 0 HG23 THR A 35 -14.699 -3.200 3.042 1.00 0.00 H new ATOM 566 N ASP A 36 -13.025 -4.300 0.241 1.00 0.00 N ATOM 567 CA ASP A 36 -13.973 -4.779 -0.811 1.00 0.00 C ATOM 568 C ASP A 36 -14.662 -6.054 -0.335 1.00 0.00 C ATOM 569 O ASP A 36 -14.078 -6.862 0.362 1.00 0.00 O ATOM 570 CB ASP A 36 -13.207 -5.086 -2.100 1.00 0.00 C ATOM 571 CG ASP A 36 -12.275 -3.924 -2.443 1.00 0.00 C ATOM 572 OD1 ASP A 36 -11.391 -3.651 -1.650 1.00 0.00 O ATOM 573 OD2 ASP A 36 -12.459 -3.328 -3.490 1.00 0.00 O ATOM 0 H ASP A 36 -12.222 -4.907 0.406 1.00 0.00 H new ATOM 0 HA ASP A 36 -14.714 -4.002 -0.999 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -12.630 -6.003 -1.980 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -13.908 -5.255 -2.918 1.00 0.00 H new ATOM 578 N LYS A 37 -15.895 -6.247 -0.722 1.00 0.00 N ATOM 579 CA LYS A 37 -16.625 -7.477 -0.312 1.00 0.00 C ATOM 580 C LYS A 37 -16.550 -8.489 -1.459 1.00 0.00 C ATOM 581 O LYS A 37 -17.552 -8.940 -1.980 1.00 0.00 O ATOM 582 CB LYS A 37 -18.087 -7.128 0.001 1.00 0.00 C ATOM 583 CG LYS A 37 -18.533 -7.855 1.275 1.00 0.00 C ATOM 584 CD LYS A 37 -17.697 -7.374 2.470 1.00 0.00 C ATOM 585 CE LYS A 37 -18.594 -7.220 3.700 1.00 0.00 C ATOM 586 NZ LYS A 37 -19.322 -5.922 3.623 1.00 0.00 N ATOM 0 H LYS A 37 -16.428 -5.602 -1.306 1.00 0.00 H new ATOM 0 HA LYS A 37 -16.175 -7.906 0.583 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -18.194 -6.051 0.130 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -18.726 -7.414 -0.835 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -19.591 -7.667 1.460 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -18.418 -8.932 1.149 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -16.899 -8.086 2.677 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -17.221 -6.422 2.234 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -19.304 -8.045 3.751 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -17.993 -7.259 4.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -19.432 -5.528 4.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -18.783 -5.256 3.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -20.260 -6.075 3.202 1.00 0.00 H new ATOM 600 N ALA A 38 -15.349 -8.838 -1.863 1.00 0.00 N ATOM 601 CA ALA A 38 -15.160 -9.813 -2.984 1.00 0.00 C ATOM 602 C ALA A 38 -16.016 -11.069 -2.765 1.00 0.00 C ATOM 603 O ALA A 38 -16.394 -11.742 -3.704 1.00 0.00 O ATOM 604 CB ALA A 38 -13.686 -10.217 -3.051 1.00 0.00 C ATOM 0 H ALA A 38 -14.483 -8.484 -1.458 1.00 0.00 H new ATOM 0 HA ALA A 38 -15.468 -9.339 -3.916 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -13.540 -10.927 -3.865 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -13.074 -9.332 -3.227 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -13.392 -10.680 -2.109 1.00 0.00 H new ATOM 610 N SER A 39 -16.322 -11.382 -1.531 1.00 0.00 N ATOM 611 CA SER A 39 -17.152 -12.588 -1.242 1.00 0.00 C ATOM 612 C SER A 39 -18.601 -12.322 -1.665 1.00 0.00 C ATOM 613 O SER A 39 -19.499 -12.255 -0.844 1.00 0.00 O ATOM 614 CB SER A 39 -17.098 -12.896 0.257 1.00 0.00 C ATOM 615 OG SER A 39 -15.752 -12.805 0.706 1.00 0.00 O ATOM 0 H SER A 39 -16.031 -10.852 -0.710 1.00 0.00 H new ATOM 0 HA SER A 39 -16.765 -13.441 -1.799 1.00 0.00 H new ATOM 0 HB2 SER A 39 -17.725 -12.195 0.807 1.00 0.00 H new ATOM 0 HB3 SER A 39 -17.491 -13.894 0.450 1.00 0.00 H new ATOM 0 HG SER A 39 -15.589 -13.487 1.390 1.00 0.00 H new ATOM 621 N GLY A 40 -18.833 -12.171 -2.944 1.00 0.00 N ATOM 622 CA GLY A 40 -20.217 -11.910 -3.436 1.00 0.00 C ATOM 623 C GLY A 40 -20.469 -12.728 -4.704 1.00 0.00 C ATOM 624 O GLY A 40 -21.060 -13.790 -4.660 1.00 0.00 O ATOM 0 H GLY A 40 -18.119 -12.218 -3.671 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -20.944 -12.176 -2.668 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -20.347 -10.848 -3.644 1.00 0.00 H new ATOM 628 N SER A 41 -20.022 -12.238 -5.833 1.00 0.00 N ATOM 629 CA SER A 41 -20.230 -12.978 -7.111 1.00 0.00 C ATOM 630 C SER A 41 -18.875 -13.420 -7.670 1.00 0.00 C ATOM 631 O SER A 41 -18.526 -14.585 -7.624 1.00 0.00 O ATOM 632 CB SER A 41 -20.927 -12.066 -8.122 1.00 0.00 C ATOM 633 OG SER A 41 -20.322 -10.782 -8.089 1.00 0.00 O ATOM 0 H SER A 41 -19.521 -11.354 -5.923 1.00 0.00 H new ATOM 0 HA SER A 41 -20.851 -13.855 -6.926 1.00 0.00 H new ATOM 0 HB2 SER A 41 -20.853 -12.490 -9.123 1.00 0.00 H new ATOM 0 HB3 SER A 41 -21.988 -11.987 -7.887 1.00 0.00 H new ATOM 0 HG SER A 41 -20.765 -10.195 -8.737 1.00 0.00 H new ATOM 639 N SER A 42 -18.111 -12.496 -8.195 1.00 0.00 N ATOM 640 CA SER A 42 -16.777 -12.851 -8.759 1.00 0.00 C ATOM 641 C SER A 42 -15.707 -11.947 -8.144 1.00 0.00 C ATOM 642 O SER A 42 -14.663 -12.407 -7.718 1.00 0.00 O ATOM 643 CB SER A 42 -16.794 -12.659 -10.277 1.00 0.00 C ATOM 644 OG SER A 42 -15.882 -13.569 -10.876 1.00 0.00 O ATOM 0 H SER A 42 -18.356 -11.508 -8.257 1.00 0.00 H new ATOM 0 HA SER A 42 -16.552 -13.892 -8.528 1.00 0.00 H new ATOM 0 HB2 SER A 42 -17.799 -12.825 -10.665 1.00 0.00 H new ATOM 0 HB3 SER A 42 -16.521 -11.634 -10.528 1.00 0.00 H new ATOM 0 HG SER A 42 -15.892 -13.450 -11.849 1.00 0.00 H new ATOM 650 N SER A 43 -15.959 -10.664 -8.097 1.00 0.00 N ATOM 651 CA SER A 43 -14.963 -9.719 -7.510 1.00 0.00 C ATOM 652 C SER A 43 -15.590 -8.330 -7.379 1.00 0.00 C ATOM 653 O SER A 43 -16.257 -7.853 -8.279 1.00 0.00 O ATOM 654 CB SER A 43 -13.739 -9.640 -8.423 1.00 0.00 C ATOM 655 OG SER A 43 -14.155 -9.746 -9.777 1.00 0.00 O ATOM 0 H SER A 43 -16.815 -10.229 -8.441 1.00 0.00 H new ATOM 0 HA SER A 43 -14.662 -10.075 -6.525 1.00 0.00 H new ATOM 0 HB2 SER A 43 -13.213 -8.698 -8.265 1.00 0.00 H new ATOM 0 HB3 SER A 43 -13.039 -10.440 -8.182 1.00 0.00 H new ATOM 0 HG SER A 43 -13.372 -9.694 -10.365 1.00 0.00 H new ATOM 661 N ASP A 44 -15.377 -7.678 -6.264 1.00 0.00 N ATOM 662 CA ASP A 44 -15.955 -6.318 -6.063 1.00 0.00 C ATOM 663 C ASP A 44 -14.826 -5.323 -5.770 1.00 0.00 C ATOM 664 O ASP A 44 -14.876 -4.576 -4.813 1.00 0.00 O ATOM 665 CB ASP A 44 -16.937 -6.349 -4.887 1.00 0.00 C ATOM 666 CG ASP A 44 -18.284 -6.897 -5.360 1.00 0.00 C ATOM 667 OD1 ASP A 44 -18.358 -8.085 -5.626 1.00 0.00 O ATOM 668 OD2 ASP A 44 -19.219 -6.119 -5.447 1.00 0.00 O ATOM 0 H ASP A 44 -14.825 -8.032 -5.482 1.00 0.00 H new ATOM 0 HA ASP A 44 -16.484 -6.008 -6.964 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -16.541 -6.972 -4.085 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -17.064 -5.346 -4.479 1.00 0.00 H new ATOM 673 N ARG A 45 -13.807 -5.317 -6.593 1.00 0.00 N ATOM 674 CA ARG A 45 -12.663 -4.381 -6.381 1.00 0.00 C ATOM 675 C ARG A 45 -13.136 -2.933 -6.545 1.00 0.00 C ATOM 676 O ARG A 45 -12.964 -2.327 -7.586 1.00 0.00 O ATOM 677 CB ARG A 45 -11.570 -4.681 -7.411 1.00 0.00 C ATOM 678 CG ARG A 45 -11.108 -6.136 -7.266 1.00 0.00 C ATOM 679 CD ARG A 45 -10.900 -6.750 -8.653 1.00 0.00 C ATOM 680 NE ARG A 45 -9.661 -6.182 -9.271 1.00 0.00 N ATOM 681 CZ ARG A 45 -9.194 -6.637 -10.417 1.00 0.00 C ATOM 682 NH1 ARG A 45 -9.795 -7.607 -11.069 1.00 0.00 N ATOM 683 NH2 ARG A 45 -8.111 -6.110 -10.916 1.00 0.00 N ATOM 0 H ARG A 45 -13.719 -5.925 -7.407 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.268 -4.515 -5.374 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -11.949 -4.508 -8.418 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -10.727 -4.006 -7.268 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -10.180 -6.178 -6.696 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -11.850 -6.710 -6.711 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -10.815 -7.834 -8.573 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.763 -6.543 -9.287 1.00 0.00 H new ATOM 0 HE ARG A 45 -9.167 -5.427 -8.795 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.644 -8.027 -10.690 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -9.412 -7.940 -11.954 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -7.636 -5.355 -10.421 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -7.739 -6.452 -11.802 1.00 0.00 H new ATOM 697 N LYS A 46 -13.731 -2.378 -5.519 1.00 0.00 N ATOM 698 CA LYS A 46 -14.220 -0.972 -5.592 1.00 0.00 C ATOM 699 C LYS A 46 -13.417 -0.095 -4.625 1.00 0.00 C ATOM 700 O LYS A 46 -13.273 1.095 -4.832 1.00 0.00 O ATOM 701 CB LYS A 46 -15.699 -0.927 -5.202 1.00 0.00 C ATOM 702 CG LYS A 46 -16.530 -1.664 -6.253 1.00 0.00 C ATOM 703 CD LYS A 46 -16.744 -0.756 -7.466 1.00 0.00 C ATOM 704 CE LYS A 46 -18.135 -1.007 -8.053 1.00 0.00 C ATOM 705 NZ LYS A 46 -18.042 -2.026 -9.135 1.00 0.00 N ATOM 0 H LYS A 46 -13.899 -2.845 -4.628 1.00 0.00 H new ATOM 0 HA LYS A 46 -14.095 -0.600 -6.609 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -15.842 -1.386 -4.224 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -16.032 0.108 -5.120 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -16.022 -2.580 -6.556 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -17.491 -1.957 -5.831 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -16.644 0.289 -7.173 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -15.980 -0.950 -8.218 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -18.814 -1.351 -7.273 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -18.547 -0.079 -8.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -18.987 -2.196 -9.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -17.408 -1.681 -9.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -17.666 -2.914 -8.745 1.00 0.00 H new ATOM 719 N GLY A 47 -12.901 -0.673 -3.567 1.00 0.00 N ATOM 720 CA GLY A 47 -12.114 0.121 -2.576 1.00 0.00 C ATOM 721 C GLY A 47 -10.907 0.766 -3.260 1.00 0.00 C ATOM 722 O GLY A 47 -10.672 1.948 -3.120 1.00 0.00 O ATOM 0 H GLY A 47 -12.992 -1.665 -3.348 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.745 0.891 -2.132 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -11.780 -0.525 -1.764 1.00 0.00 H new ATOM 726 N LEU A 48 -10.143 0.000 -4.000 1.00 0.00 N ATOM 727 CA LEU A 48 -8.950 0.571 -4.693 1.00 0.00 C ATOM 728 C LEU A 48 -9.414 1.452 -5.868 1.00 0.00 C ATOM 729 O LEU A 48 -8.750 2.403 -6.237 1.00 0.00 O ATOM 730 CB LEU A 48 -8.012 -0.595 -5.122 1.00 0.00 C ATOM 731 CG LEU A 48 -8.124 -0.938 -6.620 1.00 0.00 C ATOM 732 CD1 LEU A 48 -7.097 -2.021 -6.962 1.00 0.00 C ATOM 733 CD2 LEU A 48 -9.540 -1.453 -6.930 1.00 0.00 C ATOM 0 H LEU A 48 -10.296 -0.997 -4.153 1.00 0.00 H new ATOM 0 HA LEU A 48 -8.375 1.217 -4.030 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.981 -0.327 -4.892 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.250 -1.481 -4.533 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.931 -0.046 -7.216 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.169 -2.270 -8.021 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.094 -1.654 -6.743 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.295 -2.912 -6.366 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.615 -1.694 -7.990 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -9.739 -2.347 -6.339 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -10.270 -0.683 -6.681 1.00 0.00 H new ATOM 745 N ASP A 49 -10.553 1.148 -6.439 1.00 0.00 N ATOM 746 CA ASP A 49 -11.068 1.971 -7.571 1.00 0.00 C ATOM 747 C ASP A 49 -11.472 3.342 -7.031 1.00 0.00 C ATOM 748 O ASP A 49 -11.327 4.352 -7.694 1.00 0.00 O ATOM 749 CB ASP A 49 -12.285 1.281 -8.194 1.00 0.00 C ATOM 750 CG ASP A 49 -12.294 1.526 -9.703 1.00 0.00 C ATOM 751 OD1 ASP A 49 -11.324 1.164 -10.349 1.00 0.00 O ATOM 752 OD2 ASP A 49 -13.270 2.074 -10.191 1.00 0.00 O ATOM 0 H ASP A 49 -11.147 0.364 -6.168 1.00 0.00 H new ATOM 0 HA ASP A 49 -10.297 2.085 -8.333 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -12.254 0.211 -7.989 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -13.202 1.665 -7.747 1.00 0.00 H new ATOM 757 N LEU A 50 -11.971 3.379 -5.821 1.00 0.00 N ATOM 758 CA LEU A 50 -12.381 4.675 -5.208 1.00 0.00 C ATOM 759 C LEU A 50 -11.180 5.279 -4.476 1.00 0.00 C ATOM 760 O LEU A 50 -11.054 6.484 -4.363 1.00 0.00 O ATOM 761 CB LEU A 50 -13.520 4.432 -4.214 1.00 0.00 C ATOM 762 CG LEU A 50 -14.673 3.707 -4.915 1.00 0.00 C ATOM 763 CD1 LEU A 50 -15.364 2.768 -3.925 1.00 0.00 C ATOM 764 CD2 LEU A 50 -15.684 4.733 -5.430 1.00 0.00 C ATOM 0 H LEU A 50 -12.112 2.560 -5.229 1.00 0.00 H new ATOM 0 HA LEU A 50 -12.723 5.361 -5.983 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -13.161 3.837 -3.374 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -13.869 5.381 -3.807 1.00 0.00 H new ATOM 0 HG LEU A 50 -14.281 3.129 -5.752 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -16.184 2.252 -4.424 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -14.646 2.036 -3.556 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -15.755 3.346 -3.088 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -16.504 4.217 -5.929 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -16.075 5.311 -4.592 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -15.194 5.403 -6.136 1.00 0.00 H new ATOM 776 N LEU A 51 -10.290 4.447 -3.987 1.00 0.00 N ATOM 777 CA LEU A 51 -9.083 4.959 -3.270 1.00 0.00 C ATOM 778 C LEU A 51 -8.276 5.843 -4.224 1.00 0.00 C ATOM 779 O LEU A 51 -7.704 6.841 -3.828 1.00 0.00 O ATOM 780 CB LEU A 51 -8.223 3.772 -2.816 1.00 0.00 C ATOM 781 CG LEU A 51 -7.230 4.224 -1.743 1.00 0.00 C ATOM 782 CD1 LEU A 51 -7.972 4.472 -0.427 1.00 0.00 C ATOM 783 CD2 LEU A 51 -6.178 3.134 -1.535 1.00 0.00 C ATOM 0 H LEU A 51 -10.350 3.431 -4.055 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.385 5.540 -2.399 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.860 2.980 -2.423 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.686 3.355 -3.668 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.745 5.146 -2.064 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.263 4.794 0.336 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.724 5.248 -0.574 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.459 3.551 -0.105 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.469 3.453 -0.771 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.666 2.214 -1.215 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.648 2.957 -2.471 1.00 0.00 H new ATOM 795 N ARG A 52 -8.243 5.485 -5.483 1.00 0.00 N ATOM 796 CA ARG A 52 -7.491 6.297 -6.484 1.00 0.00 C ATOM 797 C ARG A 52 -8.098 7.702 -6.559 1.00 0.00 C ATOM 798 O ARG A 52 -7.419 8.662 -6.870 1.00 0.00 O ATOM 799 CB ARG A 52 -7.589 5.626 -7.857 1.00 0.00 C ATOM 800 CG ARG A 52 -6.807 4.309 -7.843 1.00 0.00 C ATOM 801 CD ARG A 52 -7.547 3.261 -8.677 1.00 0.00 C ATOM 802 NE ARG A 52 -7.306 3.520 -10.131 1.00 0.00 N ATOM 803 CZ ARG A 52 -7.668 2.649 -11.054 1.00 0.00 C ATOM 804 NH1 ARG A 52 -8.258 1.519 -10.740 1.00 0.00 N ATOM 805 NH2 ARG A 52 -7.434 2.919 -12.309 1.00 0.00 N ATOM 0 H ARG A 52 -8.708 4.660 -5.861 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.445 6.368 -6.186 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -8.633 5.438 -8.107 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -7.191 6.288 -8.626 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.805 4.465 -8.243 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.689 3.956 -6.819 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.203 2.261 -8.413 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.615 3.298 -8.462 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.852 4.388 -10.415 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -8.447 1.297 -9.763 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.527 0.863 -11.473 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.977 3.794 -12.566 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -7.708 2.255 -13.033 1.00 0.00 H new ATOM 819 N MET A 53 -9.372 7.824 -6.280 1.00 0.00 N ATOM 820 CA MET A 53 -10.033 9.159 -6.334 1.00 0.00 C ATOM 821 C MET A 53 -10.367 9.668 -4.919 1.00 0.00 C ATOM 822 O MET A 53 -11.101 10.625 -4.761 1.00 0.00 O ATOM 823 CB MET A 53 -11.306 9.053 -7.201 1.00 0.00 C ATOM 824 CG MET A 53 -12.415 8.268 -6.478 1.00 0.00 C ATOM 825 SD MET A 53 -13.998 8.581 -7.295 1.00 0.00 S ATOM 826 CE MET A 53 -14.415 10.091 -6.392 1.00 0.00 C ATOM 0 H MET A 53 -9.983 7.051 -6.016 1.00 0.00 H new ATOM 0 HA MET A 53 -9.351 9.882 -6.782 1.00 0.00 H new ATOM 0 HB2 MET A 53 -11.666 10.053 -7.445 1.00 0.00 H new ATOM 0 HB3 MET A 53 -11.066 8.562 -8.144 1.00 0.00 H new ATOM 0 HG2 MET A 53 -12.190 7.202 -6.492 1.00 0.00 H new ATOM 0 HG3 MET A 53 -12.467 8.569 -5.432 1.00 0.00 H new ATOM 0 HE1 MET A 53 -15.033 10.732 -7.021 1.00 0.00 H new ATOM 0 HE2 MET A 53 -14.963 9.833 -5.486 1.00 0.00 H new ATOM 0 HE3 MET A 53 -13.500 10.619 -6.124 1.00 0.00 H new ATOM 836 N LYS A 54 -9.842 9.038 -3.893 1.00 0.00 N ATOM 837 CA LYS A 54 -10.145 9.490 -2.499 1.00 0.00 C ATOM 838 C LYS A 54 -8.853 9.903 -1.784 1.00 0.00 C ATOM 839 O LYS A 54 -8.863 10.770 -0.930 1.00 0.00 O ATOM 840 CB LYS A 54 -10.811 8.349 -1.730 1.00 0.00 C ATOM 841 CG LYS A 54 -12.318 8.362 -2.004 1.00 0.00 C ATOM 842 CD LYS A 54 -13.000 9.367 -1.073 1.00 0.00 C ATOM 843 CE LYS A 54 -14.238 9.943 -1.762 1.00 0.00 C ATOM 844 NZ LYS A 54 -14.733 11.119 -0.992 1.00 0.00 N ATOM 0 H LYS A 54 -9.219 8.233 -3.962 1.00 0.00 H new ATOM 0 HA LYS A 54 -10.816 10.348 -2.541 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.383 7.393 -2.033 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.624 8.458 -0.662 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -12.507 8.628 -3.044 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -12.735 7.367 -1.849 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -13.284 8.880 -0.140 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -12.308 10.169 -0.816 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -13.995 10.239 -2.782 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -15.017 9.184 -1.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -15.575 11.511 -1.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -14.980 10.823 -0.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.990 11.845 -0.951 1.00 0.00 H new ATOM 858 N VAL A 55 -7.744 9.288 -2.118 1.00 0.00 N ATOM 859 CA VAL A 55 -6.453 9.644 -1.451 1.00 0.00 C ATOM 860 C VAL A 55 -6.123 11.117 -1.707 1.00 0.00 C ATOM 861 O VAL A 55 -6.549 11.696 -2.688 1.00 0.00 O ATOM 862 CB VAL A 55 -5.332 8.767 -2.010 1.00 0.00 C ATOM 863 CG1 VAL A 55 -5.591 7.307 -1.638 1.00 0.00 C ATOM 864 CG2 VAL A 55 -5.286 8.904 -3.535 1.00 0.00 C ATOM 0 H VAL A 55 -7.678 8.555 -2.824 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.547 9.479 -0.378 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.379 9.086 -1.588 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.792 6.683 -2.037 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.622 7.208 -0.553 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.545 6.988 -2.059 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.487 8.279 -3.933 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.239 8.587 -3.958 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.099 9.944 -3.801 1.00 0.00 H new ATOM 874 N GLU A 56 -5.363 11.721 -0.830 1.00 0.00 N ATOM 875 CA GLU A 56 -4.991 13.154 -1.011 1.00 0.00 C ATOM 876 C GLU A 56 -3.489 13.251 -1.288 1.00 0.00 C ATOM 877 O GLU A 56 -2.730 12.362 -0.950 1.00 0.00 O ATOM 878 CB GLU A 56 -5.331 13.936 0.259 1.00 0.00 C ATOM 879 CG GLU A 56 -5.812 15.340 -0.114 1.00 0.00 C ATOM 880 CD GLU A 56 -5.380 16.334 0.964 1.00 0.00 C ATOM 881 OE1 GLU A 56 -4.256 16.221 1.429 1.00 0.00 O ATOM 882 OE2 GLU A 56 -6.176 17.191 1.307 1.00 0.00 O ATOM 0 H GLU A 56 -4.983 11.280 0.007 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.546 13.574 -1.850 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.104 13.414 0.823 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.454 14.001 0.904 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.398 15.632 -1.079 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.897 15.348 -0.217 1.00 0.00 H new ATOM 889 N GLU A 57 -3.057 14.322 -1.904 1.00 0.00 N ATOM 890 CA GLU A 57 -1.603 14.483 -2.212 1.00 0.00 C ATOM 891 C GLU A 57 -0.794 14.481 -0.914 1.00 0.00 C ATOM 892 O GLU A 57 -0.876 15.398 -0.118 1.00 0.00 O ATOM 893 CB GLU A 57 -1.382 15.805 -2.949 1.00 0.00 C ATOM 894 CG GLU A 57 0.047 15.855 -3.491 1.00 0.00 C ATOM 895 CD GLU A 57 0.360 17.270 -3.979 1.00 0.00 C ATOM 896 OE1 GLU A 57 0.628 18.118 -3.144 1.00 0.00 O ATOM 897 OE2 GLU A 57 0.327 17.483 -5.180 1.00 0.00 O ATOM 0 H GLU A 57 -3.650 15.094 -2.208 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.275 13.655 -2.840 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.096 15.901 -3.767 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -1.556 16.643 -2.274 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.752 15.563 -2.713 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.162 15.143 -4.309 1.00 0.00 H new ATOM 904 N GLY A 58 -0.011 13.455 -0.701 1.00 0.00 N ATOM 905 CA GLY A 58 0.815 13.377 0.539 1.00 0.00 C ATOM 906 C GLY A 58 0.136 12.462 1.565 1.00 0.00 C ATOM 907 O GLY A 58 0.385 12.565 2.751 1.00 0.00 O ATOM 0 H GLY A 58 0.092 12.664 -1.337 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.808 12.996 0.301 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.948 14.373 0.960 1.00 0.00 H new ATOM 911 N ASP A 59 -0.714 11.567 1.121 1.00 0.00 N ATOM 912 CA ASP A 59 -1.403 10.647 2.075 1.00 0.00 C ATOM 913 C ASP A 59 -0.703 9.285 2.067 1.00 0.00 C ATOM 914 O ASP A 59 0.088 8.995 1.189 1.00 0.00 O ATOM 915 CB ASP A 59 -2.864 10.473 1.648 1.00 0.00 C ATOM 916 CG ASP A 59 -3.668 11.730 2.007 1.00 0.00 C ATOM 917 OD1 ASP A 59 -3.067 12.784 2.142 1.00 0.00 O ATOM 918 OD2 ASP A 59 -4.875 11.615 2.139 1.00 0.00 O ATOM 0 H ASP A 59 -0.959 11.435 0.140 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.365 11.068 3.080 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.919 10.290 0.575 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.295 9.602 2.142 1.00 0.00 H new ATOM 923 N VAL A 60 -0.991 8.448 3.035 1.00 0.00 N ATOM 924 CA VAL A 60 -0.341 7.099 3.080 1.00 0.00 C ATOM 925 C VAL A 60 -1.392 6.020 2.822 1.00 0.00 C ATOM 926 O VAL A 60 -2.473 6.047 3.381 1.00 0.00 O ATOM 927 CB VAL A 60 0.315 6.846 4.450 1.00 0.00 C ATOM 928 CG1 VAL A 60 1.711 7.471 4.472 1.00 0.00 C ATOM 929 CG2 VAL A 60 -0.533 7.445 5.579 1.00 0.00 C ATOM 0 H VAL A 60 -1.646 8.639 3.793 1.00 0.00 H new ATOM 0 HA VAL A 60 0.432 7.066 2.312 1.00 0.00 H new ATOM 0 HB VAL A 60 0.389 5.770 4.606 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.175 7.292 5.442 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.323 7.023 3.689 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.632 8.545 4.301 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.050 7.254 6.537 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.630 8.520 5.430 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.522 6.987 5.573 1.00 0.00 H new ATOM 939 N ILE A 61 -1.079 5.071 1.979 1.00 0.00 N ATOM 940 CA ILE A 61 -2.047 3.981 1.672 1.00 0.00 C ATOM 941 C ILE A 61 -1.501 2.655 2.216 1.00 0.00 C ATOM 942 O ILE A 61 -0.672 2.015 1.597 1.00 0.00 O ATOM 943 CB ILE A 61 -2.231 3.894 0.151 1.00 0.00 C ATOM 944 CG1 ILE A 61 -2.786 5.226 -0.361 1.00 0.00 C ATOM 945 CG2 ILE A 61 -3.206 2.768 -0.206 1.00 0.00 C ATOM 946 CD1 ILE A 61 -2.582 5.321 -1.873 1.00 0.00 C ATOM 0 H ILE A 61 -0.188 5.005 1.488 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.010 4.187 2.140 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.267 3.684 -0.313 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.846 5.305 -0.122 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.284 6.056 0.136 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.325 2.720 -1.288 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.814 1.818 0.159 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.173 2.964 0.257 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.978 6.270 -2.235 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.518 5.261 -2.101 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.105 4.499 -2.363 1.00 0.00 H new ATOM 958 N LEU A 62 -1.967 2.244 3.368 1.00 0.00 N ATOM 959 CA LEU A 62 -1.487 0.964 3.963 1.00 0.00 C ATOM 960 C LEU A 62 -2.197 -0.206 3.275 1.00 0.00 C ATOM 961 O LEU A 62 -3.408 -0.224 3.164 1.00 0.00 O ATOM 962 CB LEU A 62 -1.811 0.943 5.459 1.00 0.00 C ATOM 963 CG LEU A 62 -0.628 1.502 6.250 1.00 0.00 C ATOM 964 CD1 LEU A 62 -1.117 2.030 7.600 1.00 0.00 C ATOM 965 CD2 LEU A 62 0.398 0.391 6.483 1.00 0.00 C ATOM 0 H LEU A 62 -2.662 2.743 3.923 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.410 0.876 3.824 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.705 1.535 5.656 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.027 -0.076 5.780 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.168 2.314 5.687 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.272 2.428 8.163 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.850 2.820 7.438 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.578 1.218 8.163 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.242 0.788 7.047 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.065 -0.420 7.045 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.749 0.012 5.523 1.00 0.00 H new ATOM 977 N VAL A 63 -1.452 -1.180 2.816 1.00 0.00 N ATOM 978 CA VAL A 63 -2.083 -2.349 2.134 1.00 0.00 C ATOM 979 C VAL A 63 -1.614 -3.645 2.809 1.00 0.00 C ATOM 980 O VAL A 63 -0.455 -3.790 3.152 1.00 0.00 O ATOM 981 CB VAL A 63 -1.691 -2.345 0.648 1.00 0.00 C ATOM 982 CG1 VAL A 63 -0.172 -2.460 0.503 1.00 0.00 C ATOM 983 CG2 VAL A 63 -2.364 -3.522 -0.068 1.00 0.00 C ATOM 0 H VAL A 63 -0.435 -1.215 2.884 1.00 0.00 H new ATOM 0 HA VAL A 63 -3.168 -2.284 2.212 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.022 -1.408 0.199 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.094 -2.456 -0.554 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.306 -1.616 1.000 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.168 -3.390 0.959 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.084 -3.516 -1.121 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.041 -4.458 0.388 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.447 -3.430 0.020 1.00 0.00 H new ATOM 993 N LYS A 64 -2.509 -4.580 3.002 1.00 0.00 N ATOM 994 CA LYS A 64 -2.127 -5.867 3.655 1.00 0.00 C ATOM 995 C LYS A 64 -2.010 -6.964 2.596 1.00 0.00 C ATOM 996 O LYS A 64 -2.652 -6.914 1.564 1.00 0.00 O ATOM 997 CB LYS A 64 -3.195 -6.255 4.678 1.00 0.00 C ATOM 998 CG LYS A 64 -2.574 -7.149 5.753 1.00 0.00 C ATOM 999 CD LYS A 64 -3.674 -7.958 6.445 1.00 0.00 C ATOM 1000 CE LYS A 64 -3.855 -9.296 5.724 1.00 0.00 C ATOM 1001 NZ LYS A 64 -3.051 -10.344 6.414 1.00 0.00 N ATOM 0 H LYS A 64 -3.491 -4.507 2.734 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.168 -5.748 4.159 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -3.618 -5.360 5.135 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.014 -6.778 4.184 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.842 -7.821 5.304 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -2.042 -6.540 6.484 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -3.412 -8.128 7.489 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.610 -7.399 6.438 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.908 -9.577 5.715 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -3.540 -9.207 4.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.173 -11.254 5.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -2.046 -10.076 6.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -3.372 -10.435 7.399 1.00 0.00 H new ATOM 1015 N LYS A 65 -1.193 -7.956 2.847 1.00 0.00 N ATOM 1016 CA LYS A 65 -1.024 -9.064 1.864 1.00 0.00 C ATOM 1017 C LYS A 65 -1.863 -10.269 2.304 1.00 0.00 C ATOM 1018 O LYS A 65 -1.352 -11.351 2.527 1.00 0.00 O ATOM 1019 CB LYS A 65 0.455 -9.456 1.791 1.00 0.00 C ATOM 1020 CG LYS A 65 0.691 -10.345 0.569 1.00 0.00 C ATOM 1021 CD LYS A 65 2.094 -10.085 0.010 1.00 0.00 C ATOM 1022 CE LYS A 65 2.138 -10.441 -1.481 1.00 0.00 C ATOM 1023 NZ LYS A 65 2.652 -9.275 -2.253 1.00 0.00 N ATOM 0 H LYS A 65 -0.634 -8.044 3.696 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.358 -8.737 0.879 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.076 -8.562 1.728 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.747 -9.984 2.699 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.587 -11.395 0.844 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.060 -10.139 -0.194 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.362 -9.038 0.151 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.828 -10.678 0.556 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.779 -11.308 -1.640 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.142 -10.712 -1.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.683 -9.515 -3.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.023 -8.459 -2.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.610 -9.036 -1.925 1.00 0.00 H new ATOM 1037 N LEU A 66 -3.154 -10.086 2.429 1.00 0.00 N ATOM 1038 CA LEU A 66 -4.040 -11.209 2.853 1.00 0.00 C ATOM 1039 C LEU A 66 -4.080 -12.269 1.749 1.00 0.00 C ATOM 1040 O LEU A 66 -3.997 -13.453 2.011 1.00 0.00 O ATOM 1041 CB LEU A 66 -5.454 -10.674 3.105 1.00 0.00 C ATOM 1042 CG LEU A 66 -6.348 -11.800 3.635 1.00 0.00 C ATOM 1043 CD1 LEU A 66 -5.845 -12.255 5.006 1.00 0.00 C ATOM 1044 CD2 LEU A 66 -7.784 -11.288 3.764 1.00 0.00 C ATOM 0 H LEU A 66 -3.633 -9.202 2.254 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.653 -11.655 3.769 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -5.420 -9.855 3.824 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.870 -10.271 2.182 1.00 0.00 H new ATOM 0 HG LEU A 66 -6.319 -12.642 2.943 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.483 -13.056 5.380 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.821 -12.619 4.916 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.872 -11.415 5.700 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.423 -12.087 4.141 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.809 -10.446 4.456 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.144 -10.966 2.787 1.00 0.00 H new ATOM 1056 N ASP A 67 -4.207 -11.846 0.518 1.00 0.00 N ATOM 1057 CA ASP A 67 -4.255 -12.821 -0.612 1.00 0.00 C ATOM 1058 C ASP A 67 -3.383 -12.311 -1.761 1.00 0.00 C ATOM 1059 O ASP A 67 -2.317 -12.839 -2.022 1.00 0.00 O ATOM 1060 CB ASP A 67 -5.699 -12.971 -1.095 1.00 0.00 C ATOM 1061 CG ASP A 67 -6.349 -14.164 -0.393 1.00 0.00 C ATOM 1062 OD1 ASP A 67 -6.673 -14.036 0.777 1.00 0.00 O ATOM 1063 OD2 ASP A 67 -6.513 -15.189 -1.036 1.00 0.00 O ATOM 0 H ASP A 67 -4.280 -10.866 0.246 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.883 -13.788 -0.274 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.261 -12.061 -0.884 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.719 -13.115 -2.175 1.00 0.00 H new ATOM 1068 N ARG A 68 -3.830 -11.292 -2.450 1.00 0.00 N ATOM 1069 CA ARG A 68 -3.034 -10.744 -3.586 1.00 0.00 C ATOM 1070 C ARG A 68 -3.743 -9.521 -4.170 1.00 0.00 C ATOM 1071 O ARG A 68 -4.949 -9.511 -4.334 1.00 0.00 O ATOM 1072 CB ARG A 68 -2.889 -11.814 -4.672 1.00 0.00 C ATOM 1073 CG ARG A 68 -4.273 -12.335 -5.062 1.00 0.00 C ATOM 1074 CD ARG A 68 -4.130 -13.407 -6.144 1.00 0.00 C ATOM 1075 NE ARG A 68 -5.441 -13.586 -6.843 1.00 0.00 N ATOM 1076 CZ ARG A 68 -5.581 -14.447 -7.832 1.00 0.00 C ATOM 1077 NH1 ARG A 68 -4.577 -15.185 -8.249 1.00 0.00 N ATOM 1078 NH2 ARG A 68 -6.744 -14.567 -8.412 1.00 0.00 N ATOM 0 H ARG A 68 -4.714 -10.816 -2.273 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.047 -10.453 -3.226 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.387 -11.396 -5.545 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.269 -12.634 -4.309 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.776 -12.750 -4.189 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -4.892 -11.515 -5.427 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.361 -13.117 -6.859 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.812 -14.349 -5.698 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.244 -13.030 -6.548 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -3.662 -15.099 -7.806 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.712 -15.843 -9.016 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.531 -13.999 -8.099 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -6.866 -15.229 -9.178 1.00 0.00 H new ATOM 1092 N LEU A 69 -3.000 -8.491 -4.487 1.00 0.00 N ATOM 1093 CA LEU A 69 -3.606 -7.255 -5.065 1.00 0.00 C ATOM 1094 C LEU A 69 -4.398 -7.599 -6.332 1.00 0.00 C ATOM 1095 O LEU A 69 -5.510 -7.144 -6.519 1.00 0.00 O ATOM 1096 CB LEU A 69 -2.467 -6.293 -5.419 1.00 0.00 C ATOM 1097 CG LEU A 69 -1.970 -5.516 -4.182 1.00 0.00 C ATOM 1098 CD1 LEU A 69 -2.932 -4.369 -3.879 1.00 0.00 C ATOM 1099 CD2 LEU A 69 -1.851 -6.423 -2.945 1.00 0.00 C ATOM 0 H LEU A 69 -1.988 -8.454 -4.368 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.286 -6.799 -4.345 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.639 -6.854 -5.853 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.808 -5.589 -6.178 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.977 -5.128 -4.410 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.580 -3.821 -3.005 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.977 -3.696 -4.736 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.926 -4.770 -3.680 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.498 -5.837 -2.097 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.827 -6.849 -2.711 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.144 -7.227 -3.150 1.00 0.00 H new ATOM 1111 N GLY A 70 -3.829 -8.398 -7.199 1.00 0.00 N ATOM 1112 CA GLY A 70 -4.539 -8.777 -8.456 1.00 0.00 C ATOM 1113 C GLY A 70 -4.475 -10.293 -8.644 1.00 0.00 C ATOM 1114 O GLY A 70 -4.912 -11.051 -7.797 1.00 0.00 O ATOM 0 H GLY A 70 -2.900 -8.805 -7.089 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.578 -8.449 -8.412 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -4.082 -8.275 -9.309 1.00 0.00 H new ATOM 1118 N ARG A 71 -3.937 -10.741 -9.752 1.00 0.00 N ATOM 1119 CA ARG A 71 -3.843 -12.210 -10.004 1.00 0.00 C ATOM 1120 C ARG A 71 -2.564 -12.521 -10.787 1.00 0.00 C ATOM 1121 O ARG A 71 -1.852 -13.457 -10.475 1.00 0.00 O ATOM 1122 CB ARG A 71 -5.062 -12.672 -10.808 1.00 0.00 C ATOM 1123 CG ARG A 71 -5.219 -11.801 -12.056 1.00 0.00 C ATOM 1124 CD ARG A 71 -6.576 -12.078 -12.707 1.00 0.00 C ATOM 1125 NE ARG A 71 -6.476 -13.301 -13.563 1.00 0.00 N ATOM 1126 CZ ARG A 71 -7.505 -13.734 -14.265 1.00 0.00 C ATOM 1127 NH1 ARG A 71 -8.663 -13.113 -14.243 1.00 0.00 N ATOM 1128 NH2 ARG A 71 -7.369 -14.805 -14.998 1.00 0.00 N ATOM 0 H ARG A 71 -3.559 -10.151 -10.493 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.817 -12.737 -9.050 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.945 -13.717 -11.095 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.960 -12.608 -10.193 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -5.141 -10.747 -11.789 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.416 -12.011 -12.762 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.338 -12.219 -11.940 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -6.884 -11.223 -13.309 1.00 0.00 H new ATOM 0 HE ARG A 71 -5.593 -13.811 -13.604 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -8.782 -12.275 -13.674 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.443 -13.469 -14.795 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -6.475 -15.296 -15.023 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -8.156 -15.151 -15.546 1.00 0.00 H new ATOM 1142 N ASP A 72 -2.270 -11.747 -11.802 1.00 0.00 N ATOM 1143 CA ASP A 72 -1.039 -11.996 -12.608 1.00 0.00 C ATOM 1144 C ASP A 72 -0.602 -10.698 -13.290 1.00 0.00 C ATOM 1145 O ASP A 72 0.558 -10.336 -13.271 1.00 0.00 O ATOM 1146 CB ASP A 72 -1.331 -13.057 -13.671 1.00 0.00 C ATOM 1147 CG ASP A 72 -1.072 -14.448 -13.090 1.00 0.00 C ATOM 1148 OD1 ASP A 72 -0.019 -14.638 -12.506 1.00 0.00 O ATOM 1149 OD2 ASP A 72 -1.933 -15.301 -13.238 1.00 0.00 O ATOM 0 H ASP A 72 -2.832 -10.952 -12.106 1.00 0.00 H new ATOM 0 HA ASP A 72 -0.242 -12.347 -11.953 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -2.366 -12.978 -14.004 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -0.701 -12.894 -14.545 1.00 0.00 H new ATOM 1154 N THR A 73 -1.530 -9.993 -13.891 1.00 0.00 N ATOM 1155 CA THR A 73 -1.186 -8.712 -14.575 1.00 0.00 C ATOM 1156 C THR A 73 -0.617 -7.724 -13.553 1.00 0.00 C ATOM 1157 O THR A 73 -0.674 -7.959 -12.361 1.00 0.00 O ATOM 1158 CB THR A 73 -2.451 -8.122 -15.208 1.00 0.00 C ATOM 1159 OG1 THR A 73 -3.193 -9.162 -15.829 1.00 0.00 O ATOM 1160 CG2 THR A 73 -2.069 -7.071 -16.251 1.00 0.00 C ATOM 0 H THR A 73 -2.515 -10.253 -13.936 1.00 0.00 H new ATOM 0 HA THR A 73 -0.442 -8.899 -15.350 1.00 0.00 H new ATOM 0 HB THR A 73 -3.057 -7.651 -14.434 1.00 0.00 H new ATOM 0 HG1 THR A 73 -4.004 -8.789 -16.234 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.973 -6.656 -16.697 1.00 0.00 H new ATOM 0 HG22 THR A 73 -1.501 -6.273 -15.773 1.00 0.00 H new ATOM 0 HG23 THR A 73 -1.461 -7.534 -17.028 1.00 0.00 H new ATOM 1168 N ALA A 74 -0.068 -6.625 -14.007 1.00 0.00 N ATOM 1169 CA ALA A 74 0.504 -5.618 -13.065 1.00 0.00 C ATOM 1170 C ALA A 74 -0.636 -4.897 -12.336 1.00 0.00 C ATOM 1171 O ALA A 74 -0.823 -3.702 -12.479 1.00 0.00 O ATOM 1172 CB ALA A 74 1.340 -4.604 -13.852 1.00 0.00 C ATOM 0 H ALA A 74 0.008 -6.382 -14.995 1.00 0.00 H new ATOM 0 HA ALA A 74 1.139 -6.118 -12.334 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.759 -3.867 -13.166 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.149 -5.121 -14.367 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.708 -4.101 -14.583 1.00 0.00 H new ATOM 1178 N ASP A 75 -1.396 -5.617 -11.547 1.00 0.00 N ATOM 1179 CA ASP A 75 -2.519 -4.984 -10.798 1.00 0.00 C ATOM 1180 C ASP A 75 -1.958 -4.274 -9.571 1.00 0.00 C ATOM 1181 O ASP A 75 -2.318 -3.151 -9.274 1.00 0.00 O ATOM 1182 CB ASP A 75 -3.514 -6.061 -10.358 1.00 0.00 C ATOM 1183 CG ASP A 75 -4.920 -5.463 -10.297 1.00 0.00 C ATOM 1184 OD1 ASP A 75 -5.354 -4.916 -11.298 1.00 0.00 O ATOM 1185 OD2 ASP A 75 -5.539 -5.561 -9.251 1.00 0.00 O ATOM 0 H ASP A 75 -1.284 -6.619 -11.391 1.00 0.00 H new ATOM 0 HA ASP A 75 -3.030 -4.265 -11.438 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -3.493 -6.897 -11.057 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -3.232 -6.454 -9.381 1.00 0.00 H new ATOM 1190 N MET A 76 -1.067 -4.921 -8.863 1.00 0.00 N ATOM 1191 CA MET A 76 -0.459 -4.292 -7.653 1.00 0.00 C ATOM 1192 C MET A 76 0.313 -3.041 -8.077 1.00 0.00 C ATOM 1193 O MET A 76 0.306 -2.039 -7.394 1.00 0.00 O ATOM 1194 CB MET A 76 0.503 -5.286 -6.992 1.00 0.00 C ATOM 1195 CG MET A 76 1.105 -4.670 -5.723 1.00 0.00 C ATOM 1196 SD MET A 76 1.522 -5.985 -4.552 1.00 0.00 S ATOM 1197 CE MET A 76 3.188 -5.408 -4.147 1.00 0.00 C ATOM 0 H MET A 76 -0.734 -5.862 -9.073 1.00 0.00 H new ATOM 0 HA MET A 76 -1.241 -4.020 -6.945 1.00 0.00 H new ATOM 0 HB2 MET A 76 -0.026 -6.206 -6.744 1.00 0.00 H new ATOM 0 HB3 MET A 76 1.298 -5.553 -7.688 1.00 0.00 H new ATOM 0 HG2 MET A 76 1.997 -4.095 -5.973 1.00 0.00 H new ATOM 0 HG3 MET A 76 0.395 -3.977 -5.271 1.00 0.00 H new ATOM 0 HE1 MET A 76 3.483 -5.803 -3.175 1.00 0.00 H new ATOM 0 HE2 MET A 76 3.888 -5.755 -4.907 1.00 0.00 H new ATOM 0 HE3 MET A 76 3.198 -4.319 -4.115 1.00 0.00 H new ATOM 1207 N ILE A 77 0.980 -3.101 -9.199 1.00 0.00 N ATOM 1208 CA ILE A 77 1.762 -1.925 -9.675 1.00 0.00 C ATOM 1209 C ILE A 77 0.813 -0.887 -10.287 1.00 0.00 C ATOM 1210 O ILE A 77 1.076 0.298 -10.244 1.00 0.00 O ATOM 1211 CB ILE A 77 2.786 -2.394 -10.720 1.00 0.00 C ATOM 1212 CG1 ILE A 77 3.744 -3.402 -10.069 1.00 0.00 C ATOM 1213 CG2 ILE A 77 3.590 -1.197 -11.244 1.00 0.00 C ATOM 1214 CD1 ILE A 77 3.303 -4.831 -10.401 1.00 0.00 C ATOM 0 H ILE A 77 1.016 -3.918 -9.808 1.00 0.00 H new ATOM 0 HA ILE A 77 2.287 -1.465 -8.838 1.00 0.00 H new ATOM 0 HB ILE A 77 2.261 -2.862 -11.552 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.760 -3.234 -10.426 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.758 -3.258 -8.989 1.00 0.00 H new ATOM 0 HG21 ILE A 77 4.313 -1.540 -11.984 1.00 0.00 H new ATOM 0 HG22 ILE A 77 2.913 -0.478 -11.705 1.00 0.00 H new ATOM 0 HG23 ILE A 77 4.116 -0.722 -10.416 1.00 0.00 H new ATOM 0 HD11 ILE A 77 3.987 -5.540 -9.936 1.00 0.00 H new ATOM 0 HD12 ILE A 77 2.295 -4.998 -10.022 1.00 0.00 H new ATOM 0 HD13 ILE A 77 3.313 -4.973 -11.482 1.00 0.00 H new ATOM 1226 N GLN A 78 -0.284 -1.322 -10.857 1.00 0.00 N ATOM 1227 CA GLN A 78 -1.248 -0.357 -11.481 1.00 0.00 C ATOM 1228 C GLN A 78 -1.679 0.700 -10.457 1.00 0.00 C ATOM 1229 O GLN A 78 -1.309 1.854 -10.563 1.00 0.00 O ATOM 1230 CB GLN A 78 -2.477 -1.127 -11.991 1.00 0.00 C ATOM 1231 CG GLN A 78 -2.669 -0.874 -13.492 1.00 0.00 C ATOM 1232 CD GLN A 78 -1.478 -1.443 -14.266 1.00 0.00 C ATOM 1233 OE1 GLN A 78 -1.466 -2.607 -14.615 1.00 0.00 O ATOM 1234 NE2 GLN A 78 -0.471 -0.666 -14.555 1.00 0.00 N ATOM 0 H GLN A 78 -0.555 -2.303 -10.918 1.00 0.00 H new ATOM 0 HA GLN A 78 -0.762 0.148 -12.316 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.350 -2.194 -11.807 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.366 -0.813 -11.444 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -3.593 -1.339 -13.834 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -2.761 0.195 -13.682 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -0.480 0.311 -14.262 1.00 0.00 H new ATOM 0 HE22 GLN A 78 0.326 -1.035 -15.074 1.00 0.00 H new ATOM 1243 N LEU A 79 -2.460 0.323 -9.470 1.00 0.00 N ATOM 1244 CA LEU A 79 -2.914 1.322 -8.448 1.00 0.00 C ATOM 1245 C LEU A 79 -1.691 2.013 -7.817 1.00 0.00 C ATOM 1246 O LEU A 79 -1.751 3.169 -7.441 1.00 0.00 O ATOM 1247 CB LEU A 79 -3.790 0.634 -7.375 1.00 0.00 C ATOM 1248 CG LEU A 79 -2.957 -0.220 -6.404 1.00 0.00 C ATOM 1249 CD1 LEU A 79 -3.830 -0.627 -5.215 1.00 0.00 C ATOM 1250 CD2 LEU A 79 -2.460 -1.480 -7.113 1.00 0.00 C ATOM 0 H LEU A 79 -2.801 -0.628 -9.329 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.524 2.084 -8.933 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.335 1.392 -6.813 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.533 0.004 -7.864 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.102 0.361 -6.059 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.244 -1.233 -4.524 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.186 0.267 -4.702 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.683 -1.205 -5.571 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.871 -2.080 -6.419 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.313 -2.062 -7.462 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.841 -1.198 -7.965 1.00 0.00 H new ATOM 1262 N ILE A 80 -0.581 1.320 -7.722 1.00 0.00 N ATOM 1263 CA ILE A 80 0.648 1.939 -7.141 1.00 0.00 C ATOM 1264 C ILE A 80 1.087 3.091 -8.058 1.00 0.00 C ATOM 1265 O ILE A 80 1.354 4.188 -7.602 1.00 0.00 O ATOM 1266 CB ILE A 80 1.752 0.863 -7.021 1.00 0.00 C ATOM 1267 CG1 ILE A 80 1.432 -0.049 -5.833 1.00 0.00 C ATOM 1268 CG2 ILE A 80 3.131 1.502 -6.784 1.00 0.00 C ATOM 1269 CD1 ILE A 80 2.391 -1.241 -5.828 1.00 0.00 C ATOM 0 H ILE A 80 -0.475 0.351 -8.023 1.00 0.00 H new ATOM 0 HA ILE A 80 0.454 2.335 -6.144 1.00 0.00 H new ATOM 0 HB ILE A 80 1.781 0.299 -7.953 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.522 0.507 -4.900 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.402 -0.399 -5.897 1.00 0.00 H new ATOM 0 HG21 ILE A 80 3.886 0.720 -6.704 1.00 0.00 H new ATOM 0 HG22 ILE A 80 3.376 2.159 -7.619 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.110 2.081 -5.861 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.162 -1.889 -4.982 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.279 -1.802 -6.756 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.417 -0.882 -5.743 1.00 0.00 H new ATOM 1281 N LYS A 81 1.148 2.855 -9.347 1.00 0.00 N ATOM 1282 CA LYS A 81 1.551 3.940 -10.293 1.00 0.00 C ATOM 1283 C LYS A 81 0.517 5.064 -10.229 1.00 0.00 C ATOM 1284 O LYS A 81 0.838 6.227 -10.389 1.00 0.00 O ATOM 1285 CB LYS A 81 1.609 3.385 -11.720 1.00 0.00 C ATOM 1286 CG LYS A 81 2.459 2.106 -11.754 1.00 0.00 C ATOM 1287 CD LYS A 81 3.639 2.287 -12.713 1.00 0.00 C ATOM 1288 CE LYS A 81 3.322 1.609 -14.050 1.00 0.00 C ATOM 1289 NZ LYS A 81 4.463 1.804 -14.988 1.00 0.00 N ATOM 0 H LYS A 81 0.936 1.958 -9.783 1.00 0.00 H new ATOM 0 HA LYS A 81 2.534 4.322 -10.015 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.601 3.171 -12.077 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.033 4.131 -12.392 1.00 0.00 H new ATOM 0 HG2 LYS A 81 2.825 1.876 -10.753 1.00 0.00 H new ATOM 0 HG3 LYS A 81 1.848 1.261 -12.072 1.00 0.00 H new ATOM 0 HD2 LYS A 81 3.835 3.348 -12.869 1.00 0.00 H new ATOM 0 HD3 LYS A 81 4.542 1.856 -12.280 1.00 0.00 H new ATOM 0 HE2 LYS A 81 3.141 0.545 -13.897 1.00 0.00 H new ATOM 0 HE3 LYS A 81 2.411 2.029 -14.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 4.249 1.344 -15.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 4.615 2.821 -15.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 5.323 1.383 -14.581 1.00 0.00 H new ATOM 1303 N GLU A 82 -0.723 4.718 -9.994 1.00 0.00 N ATOM 1304 CA GLU A 82 -1.793 5.750 -9.911 1.00 0.00 C ATOM 1305 C GLU A 82 -1.531 6.656 -8.706 1.00 0.00 C ATOM 1306 O GLU A 82 -1.524 7.867 -8.820 1.00 0.00 O ATOM 1307 CB GLU A 82 -3.148 5.055 -9.751 1.00 0.00 C ATOM 1308 CG GLU A 82 -4.219 5.842 -10.510 1.00 0.00 C ATOM 1309 CD GLU A 82 -3.954 5.747 -12.013 1.00 0.00 C ATOM 1310 OE1 GLU A 82 -4.061 4.655 -12.545 1.00 0.00 O ATOM 1311 OE2 GLU A 82 -3.647 6.768 -12.607 1.00 0.00 O ATOM 0 H GLU A 82 -1.039 3.758 -9.856 1.00 0.00 H new ATOM 0 HA GLU A 82 -1.798 6.353 -10.819 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.093 4.035 -10.132 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.411 4.987 -8.695 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.208 5.446 -10.279 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.211 6.885 -10.194 1.00 0.00 H new ATOM 1318 N PHE A 83 -1.308 6.075 -7.554 1.00 0.00 N ATOM 1319 CA PHE A 83 -1.037 6.894 -6.335 1.00 0.00 C ATOM 1320 C PHE A 83 0.333 7.561 -6.473 1.00 0.00 C ATOM 1321 O PHE A 83 0.553 8.654 -5.987 1.00 0.00 O ATOM 1322 CB PHE A 83 -1.029 5.993 -5.099 1.00 0.00 C ATOM 1323 CG PHE A 83 -2.385 5.355 -4.917 1.00 0.00 C ATOM 1324 CD1 PHE A 83 -3.515 6.154 -4.717 1.00 0.00 C ATOM 1325 CD2 PHE A 83 -2.510 3.960 -4.941 1.00 0.00 C ATOM 1326 CE1 PHE A 83 -4.771 5.559 -4.543 1.00 0.00 C ATOM 1327 CE2 PHE A 83 -3.765 3.366 -4.766 1.00 0.00 C ATOM 1328 CZ PHE A 83 -4.895 4.166 -4.567 1.00 0.00 C ATOM 0 H PHE A 83 -1.302 5.066 -7.406 1.00 0.00 H new ATOM 0 HA PHE A 83 -1.814 7.651 -6.229 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -0.266 5.222 -5.206 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.771 6.576 -4.215 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.419 7.230 -4.697 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.637 3.343 -5.095 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -5.644 6.176 -4.390 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -3.861 2.290 -4.785 1.00 0.00 H new ATOM 0 HZ PHE A 83 -5.864 3.708 -4.432 1.00 0.00 H new ATOM 1338 N ASP A 84 1.254 6.906 -7.133 1.00 0.00 N ATOM 1339 CA ASP A 84 2.616 7.484 -7.312 1.00 0.00 C ATOM 1340 C ASP A 84 2.519 8.797 -8.091 1.00 0.00 C ATOM 1341 O ASP A 84 3.294 9.711 -7.884 1.00 0.00 O ATOM 1342 CB ASP A 84 3.481 6.495 -8.094 1.00 0.00 C ATOM 1343 CG ASP A 84 4.948 6.664 -7.691 1.00 0.00 C ATOM 1344 OD1 ASP A 84 5.468 7.753 -7.870 1.00 0.00 O ATOM 1345 OD2 ASP A 84 5.524 5.702 -7.212 1.00 0.00 O ATOM 0 H ASP A 84 1.118 5.989 -7.558 1.00 0.00 H new ATOM 0 HA ASP A 84 3.062 7.675 -6.336 1.00 0.00 H new ATOM 0 HB2 ASP A 84 3.154 5.474 -7.895 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.366 6.664 -9.165 1.00 0.00 H new ATOM 1350 N ALA A 85 1.575 8.887 -8.989 1.00 0.00 N ATOM 1351 CA ALA A 85 1.415 10.129 -9.798 1.00 0.00 C ATOM 1352 C ALA A 85 0.622 11.175 -9.006 1.00 0.00 C ATOM 1353 O ALA A 85 0.735 12.360 -9.258 1.00 0.00 O ATOM 1354 CB ALA A 85 0.667 9.799 -11.091 1.00 0.00 C ATOM 0 H ALA A 85 0.904 8.148 -9.198 1.00 0.00 H new ATOM 0 HA ALA A 85 2.401 10.531 -10.033 1.00 0.00 H new ATOM 0 HB1 ALA A 85 0.549 10.706 -11.684 1.00 0.00 H new ATOM 0 HB2 ALA A 85 1.234 9.063 -11.662 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -0.315 9.393 -10.850 1.00 0.00 H new ATOM 1360 N GLN A 86 -0.180 10.752 -8.059 1.00 0.00 N ATOM 1361 CA GLN A 86 -0.980 11.724 -7.264 1.00 0.00 C ATOM 1362 C GLN A 86 -0.153 12.269 -6.085 1.00 0.00 C ATOM 1363 O GLN A 86 -0.652 13.037 -5.283 1.00 0.00 O ATOM 1364 CB GLN A 86 -2.232 11.018 -6.736 1.00 0.00 C ATOM 1365 CG GLN A 86 -3.452 11.437 -7.562 1.00 0.00 C ATOM 1366 CD GLN A 86 -4.703 10.751 -7.008 1.00 0.00 C ATOM 1367 OE1 GLN A 86 -5.320 11.243 -6.084 1.00 0.00 O ATOM 1368 NE2 GLN A 86 -5.105 9.628 -7.538 1.00 0.00 N ATOM 0 H GLN A 86 -0.312 9.773 -7.805 1.00 0.00 H new ATOM 0 HA GLN A 86 -1.263 12.563 -7.900 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -2.100 9.937 -6.788 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -2.388 11.270 -5.687 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -3.573 12.520 -7.528 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -3.308 11.165 -8.608 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -4.587 9.216 -8.314 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.938 9.163 -7.177 1.00 0.00 H new ATOM 1377 N GLY A 87 1.099 11.885 -5.968 1.00 0.00 N ATOM 1378 CA GLY A 87 1.937 12.391 -4.840 1.00 0.00 C ATOM 1379 C GLY A 87 1.503 11.717 -3.538 1.00 0.00 C ATOM 1380 O GLY A 87 1.591 12.295 -2.471 1.00 0.00 O ATOM 0 H GLY A 87 1.572 11.244 -6.605 1.00 0.00 H new ATOM 0 HA2 GLY A 87 2.990 12.186 -5.035 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.834 13.473 -4.754 1.00 0.00 H new ATOM 1384 N VAL A 88 1.034 10.499 -3.621 1.00 0.00 N ATOM 1385 CA VAL A 88 0.590 9.775 -2.393 1.00 0.00 C ATOM 1386 C VAL A 88 1.548 8.613 -2.114 1.00 0.00 C ATOM 1387 O VAL A 88 2.177 8.086 -3.011 1.00 0.00 O ATOM 1388 CB VAL A 88 -0.834 9.244 -2.607 1.00 0.00 C ATOM 1389 CG1 VAL A 88 -1.310 8.495 -1.358 1.00 0.00 C ATOM 1390 CG2 VAL A 88 -1.773 10.422 -2.872 1.00 0.00 C ATOM 0 H VAL A 88 0.939 9.973 -4.490 1.00 0.00 H new ATOM 0 HA VAL A 88 0.595 10.453 -1.540 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.838 8.562 -3.457 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.321 8.122 -1.521 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.642 7.657 -1.160 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.306 9.172 -0.504 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.787 10.052 -3.025 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.759 11.098 -2.017 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.444 10.957 -3.763 1.00 0.00 H new ATOM 1400 N SER A 89 1.658 8.219 -0.872 1.00 0.00 N ATOM 1401 CA SER A 89 2.571 7.095 -0.515 1.00 0.00 C ATOM 1402 C SER A 89 1.749 5.834 -0.249 1.00 0.00 C ATOM 1403 O SER A 89 0.563 5.898 0.014 1.00 0.00 O ATOM 1404 CB SER A 89 3.364 7.462 0.739 1.00 0.00 C ATOM 1405 OG SER A 89 4.569 8.113 0.360 1.00 0.00 O ATOM 0 H SER A 89 1.152 8.630 -0.087 1.00 0.00 H new ATOM 0 HA SER A 89 3.260 6.911 -1.339 1.00 0.00 H new ATOM 0 HB2 SER A 89 2.771 8.114 1.380 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.588 6.565 1.317 1.00 0.00 H new ATOM 0 HG SER A 89 5.079 8.351 1.163 1.00 0.00 H new ATOM 1411 N ILE A 90 2.377 4.686 -0.310 1.00 0.00 N ATOM 1412 CA ILE A 90 1.645 3.410 -0.058 1.00 0.00 C ATOM 1413 C ILE A 90 2.477 2.528 0.874 1.00 0.00 C ATOM 1414 O ILE A 90 3.460 1.941 0.466 1.00 0.00 O ATOM 1415 CB ILE A 90 1.418 2.678 -1.380 1.00 0.00 C ATOM 1416 CG1 ILE A 90 0.720 3.621 -2.368 1.00 0.00 C ATOM 1417 CG2 ILE A 90 0.545 1.442 -1.133 1.00 0.00 C ATOM 1418 CD1 ILE A 90 0.500 2.905 -3.701 1.00 0.00 C ATOM 0 H ILE A 90 3.368 4.579 -0.524 1.00 0.00 H new ATOM 0 HA ILE A 90 0.682 3.628 0.404 1.00 0.00 H new ATOM 0 HB ILE A 90 2.375 2.364 -1.797 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -0.236 3.949 -1.959 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.325 4.515 -2.520 1.00 0.00 H new ATOM 0 HG21 ILE A 90 0.382 0.918 -2.075 1.00 0.00 H new ATOM 0 HG22 ILE A 90 1.046 0.777 -0.430 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -0.415 1.751 -0.719 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.004 3.580 -4.399 1.00 0.00 H new ATOM 0 HD12 ILE A 90 1.462 2.600 -4.113 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.123 2.025 -3.543 1.00 0.00 H new ATOM 1430 N ARG A 91 2.088 2.433 2.118 1.00 0.00 N ATOM 1431 CA ARG A 91 2.853 1.592 3.086 1.00 0.00 C ATOM 1432 C ARG A 91 2.497 0.120 2.878 1.00 0.00 C ATOM 1433 O ARG A 91 1.387 -0.209 2.498 1.00 0.00 O ATOM 1434 CB ARG A 91 2.491 2.009 4.511 1.00 0.00 C ATOM 1435 CG ARG A 91 2.713 3.515 4.677 1.00 0.00 C ATOM 1436 CD ARG A 91 2.726 3.874 6.165 1.00 0.00 C ATOM 1437 NE ARG A 91 3.820 4.860 6.431 1.00 0.00 N ATOM 1438 CZ ARG A 91 3.873 5.538 7.561 1.00 0.00 C ATOM 1439 NH1 ARG A 91 2.967 5.385 8.501 1.00 0.00 N ATOM 1440 NH2 ARG A 91 4.849 6.383 7.751 1.00 0.00 N ATOM 0 H ARG A 91 1.271 2.903 2.507 1.00 0.00 H new ATOM 0 HA ARG A 91 3.922 1.730 2.925 1.00 0.00 H new ATOM 0 HB2 ARG A 91 1.451 1.759 4.721 1.00 0.00 H new ATOM 0 HB3 ARG A 91 3.102 1.460 5.228 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.656 3.806 4.215 1.00 0.00 H new ATOM 0 HG3 ARG A 91 1.924 4.067 4.167 1.00 0.00 H new ATOM 0 HD2 ARG A 91 1.764 4.295 6.457 1.00 0.00 H new ATOM 0 HD3 ARG A 91 2.877 2.977 6.765 1.00 0.00 H new ATOM 0 HE ARG A 91 4.539 5.011 5.724 1.00 0.00 H new ATOM 0 HH11 ARG A 91 2.198 4.729 8.366 1.00 0.00 H new ATOM 0 HH12 ARG A 91 3.033 5.923 9.365 1.00 0.00 H new ATOM 0 HH21 ARG A 91 5.559 6.513 7.030 1.00 0.00 H new ATOM 0 HH22 ARG A 91 4.902 6.914 8.620 1.00 0.00 H new ATOM 1454 N PHE A 92 3.428 -0.768 3.125 1.00 0.00 N ATOM 1455 CA PHE A 92 3.150 -2.222 2.946 1.00 0.00 C ATOM 1456 C PHE A 92 3.366 -2.943 4.277 1.00 0.00 C ATOM 1457 O PHE A 92 4.434 -2.889 4.852 1.00 0.00 O ATOM 1458 CB PHE A 92 4.102 -2.798 1.894 1.00 0.00 C ATOM 1459 CG PHE A 92 3.617 -2.424 0.512 1.00 0.00 C ATOM 1460 CD1 PHE A 92 3.805 -1.123 0.032 1.00 0.00 C ATOM 1461 CD2 PHE A 92 2.980 -3.380 -0.288 1.00 0.00 C ATOM 1462 CE1 PHE A 92 3.355 -0.778 -1.249 1.00 0.00 C ATOM 1463 CE2 PHE A 92 2.532 -3.036 -1.568 1.00 0.00 C ATOM 1464 CZ PHE A 92 2.719 -1.735 -2.048 1.00 0.00 C ATOM 0 H PHE A 92 4.371 -0.545 3.444 1.00 0.00 H new ATOM 0 HA PHE A 92 2.120 -2.360 2.617 1.00 0.00 H new ATOM 0 HB2 PHE A 92 5.110 -2.415 2.053 1.00 0.00 H new ATOM 0 HB3 PHE A 92 4.154 -3.882 1.991 1.00 0.00 H new ATOM 0 HD1 PHE A 92 4.297 -0.385 0.649 1.00 0.00 H new ATOM 0 HD2 PHE A 92 2.834 -4.384 0.083 1.00 0.00 H new ATOM 0 HE1 PHE A 92 3.499 0.226 -1.620 1.00 0.00 H new ATOM 0 HE2 PHE A 92 2.042 -3.774 -2.185 1.00 0.00 H new ATOM 0 HZ PHE A 92 2.372 -1.469 -3.036 1.00 0.00 H new ATOM 1474 N ILE A 93 2.358 -3.616 4.771 1.00 0.00 N ATOM 1475 CA ILE A 93 2.493 -4.346 6.069 1.00 0.00 C ATOM 1476 C ILE A 93 3.633 -5.375 5.964 1.00 0.00 C ATOM 1477 O ILE A 93 4.285 -5.700 6.938 1.00 0.00 O ATOM 1478 CB ILE A 93 1.141 -5.024 6.392 1.00 0.00 C ATOM 1479 CG1 ILE A 93 1.095 -5.460 7.874 1.00 0.00 C ATOM 1480 CG2 ILE A 93 0.886 -6.226 5.466 1.00 0.00 C ATOM 1481 CD1 ILE A 93 2.048 -6.631 8.155 1.00 0.00 C ATOM 0 H ILE A 93 1.442 -3.692 4.329 1.00 0.00 H new ATOM 0 HA ILE A 93 2.742 -3.658 6.877 1.00 0.00 H new ATOM 0 HB ILE A 93 0.349 -4.295 6.219 1.00 0.00 H new ATOM 0 HG12 ILE A 93 1.360 -4.615 8.510 1.00 0.00 H new ATOM 0 HG13 ILE A 93 0.077 -5.749 8.136 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -0.072 -6.682 5.717 1.00 0.00 H new ATOM 0 HG22 ILE A 93 0.867 -5.889 4.430 1.00 0.00 H new ATOM 0 HG23 ILE A 93 1.682 -6.960 5.594 1.00 0.00 H new ATOM 0 HD11 ILE A 93 1.985 -6.907 9.208 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.767 -7.485 7.539 1.00 0.00 H new ATOM 0 HD13 ILE A 93 3.070 -6.334 7.918 1.00 0.00 H new ATOM 1493 N ASP A 94 3.876 -5.882 4.781 1.00 0.00 N ATOM 1494 CA ASP A 94 4.961 -6.893 4.588 1.00 0.00 C ATOM 1495 C ASP A 94 6.301 -6.365 5.120 1.00 0.00 C ATOM 1496 O ASP A 94 7.139 -7.133 5.556 1.00 0.00 O ATOM 1497 CB ASP A 94 5.101 -7.205 3.096 1.00 0.00 C ATOM 1498 CG ASP A 94 5.873 -8.513 2.918 1.00 0.00 C ATOM 1499 OD1 ASP A 94 5.293 -9.558 3.161 1.00 0.00 O ATOM 1500 OD2 ASP A 94 7.031 -8.448 2.544 1.00 0.00 O ATOM 0 H ASP A 94 3.365 -5.636 3.933 1.00 0.00 H new ATOM 0 HA ASP A 94 4.697 -7.795 5.140 1.00 0.00 H new ATOM 0 HB2 ASP A 94 4.116 -7.287 2.637 1.00 0.00 H new ATOM 0 HB3 ASP A 94 5.622 -6.391 2.591 1.00 0.00 H new ATOM 1505 N ASP A 95 6.517 -5.071 5.085 1.00 0.00 N ATOM 1506 CA ASP A 95 7.812 -4.520 5.587 1.00 0.00 C ATOM 1507 C ASP A 95 7.572 -3.225 6.369 1.00 0.00 C ATOM 1508 O ASP A 95 8.138 -3.019 7.427 1.00 0.00 O ATOM 1509 CB ASP A 95 8.740 -4.233 4.402 1.00 0.00 C ATOM 1510 CG ASP A 95 8.017 -3.347 3.385 1.00 0.00 C ATOM 1511 OD1 ASP A 95 7.115 -3.844 2.732 1.00 0.00 O ATOM 1512 OD2 ASP A 95 8.378 -2.187 3.278 1.00 0.00 O ATOM 0 H ASP A 95 5.856 -4.378 4.733 1.00 0.00 H new ATOM 0 HA ASP A 95 8.273 -5.253 6.248 1.00 0.00 H new ATOM 0 HB2 ASP A 95 9.647 -3.739 4.749 1.00 0.00 H new ATOM 0 HB3 ASP A 95 9.046 -5.168 3.932 1.00 0.00 H new ATOM 1517 N GLY A 96 6.742 -2.355 5.857 1.00 0.00 N ATOM 1518 CA GLY A 96 6.465 -1.070 6.562 1.00 0.00 C ATOM 1519 C GLY A 96 6.840 0.095 5.647 1.00 0.00 C ATOM 1520 O GLY A 96 6.173 1.112 5.617 1.00 0.00 O ATOM 0 H GLY A 96 6.242 -2.480 4.977 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.411 -1.010 6.834 1.00 0.00 H new ATOM 0 HA3 GLY A 96 7.037 -1.019 7.489 1.00 0.00 H new ATOM 1524 N ILE A 97 7.903 -0.052 4.900 1.00 0.00 N ATOM 1525 CA ILE A 97 8.334 1.036 3.976 1.00 0.00 C ATOM 1526 C ILE A 97 7.438 1.028 2.738 1.00 0.00 C ATOM 1527 O ILE A 97 6.761 0.056 2.461 1.00 0.00 O ATOM 1528 CB ILE A 97 9.784 0.802 3.546 1.00 0.00 C ATOM 1529 CG1 ILE A 97 10.662 0.584 4.781 1.00 0.00 C ATOM 1530 CG2 ILE A 97 10.289 2.024 2.774 1.00 0.00 C ATOM 1531 CD1 ILE A 97 12.078 0.206 4.345 1.00 0.00 C ATOM 0 H ILE A 97 8.493 -0.884 4.891 1.00 0.00 H new ATOM 0 HA ILE A 97 8.256 1.996 4.486 1.00 0.00 H new ATOM 0 HB ILE A 97 9.832 -0.081 2.909 1.00 0.00 H new ATOM 0 HG12 ILE A 97 10.687 1.490 5.386 1.00 0.00 H new ATOM 0 HG13 ILE A 97 10.240 -0.204 5.405 1.00 0.00 H new ATOM 0 HG21 ILE A 97 11.322 1.859 2.467 1.00 0.00 H new ATOM 0 HG22 ILE A 97 9.668 2.179 1.891 1.00 0.00 H new ATOM 0 HG23 ILE A 97 10.237 2.905 3.413 1.00 0.00 H new ATOM 0 HD11 ILE A 97 12.701 0.051 5.226 1.00 0.00 H new ATOM 0 HD12 ILE A 97 12.045 -0.712 3.758 1.00 0.00 H new ATOM 0 HD13 ILE A 97 12.499 1.009 3.740 1.00 0.00 H new ATOM 1543 N SER A 98 7.438 2.100 1.989 1.00 0.00 N ATOM 1544 CA SER A 98 6.596 2.155 0.761 1.00 0.00 C ATOM 1545 C SER A 98 7.232 1.273 -0.316 1.00 0.00 C ATOM 1546 O SER A 98 8.059 0.430 -0.023 1.00 0.00 O ATOM 1547 CB SER A 98 6.512 3.601 0.266 1.00 0.00 C ATOM 1548 OG SER A 98 6.399 4.474 1.381 1.00 0.00 O ATOM 0 H SER A 98 7.986 2.940 2.176 1.00 0.00 H new ATOM 0 HA SER A 98 5.591 1.795 0.981 1.00 0.00 H new ATOM 0 HB2 SER A 98 7.399 3.850 -0.317 1.00 0.00 H new ATOM 0 HB3 SER A 98 5.653 3.722 -0.394 1.00 0.00 H new ATOM 0 HG SER A 98 6.347 5.401 1.067 1.00 0.00 H new ATOM 1554 N THR A 99 6.857 1.459 -1.557 1.00 0.00 N ATOM 1555 CA THR A 99 7.446 0.634 -2.652 1.00 0.00 C ATOM 1556 C THR A 99 8.890 1.083 -2.892 1.00 0.00 C ATOM 1557 O THR A 99 9.224 1.627 -3.927 1.00 0.00 O ATOM 1558 CB THR A 99 6.623 0.816 -3.932 1.00 0.00 C ATOM 1559 OG1 THR A 99 7.276 0.158 -5.009 1.00 0.00 O ATOM 1560 CG2 THR A 99 6.490 2.306 -4.249 1.00 0.00 C ATOM 0 H THR A 99 6.167 2.148 -1.858 1.00 0.00 H new ATOM 0 HA THR A 99 7.434 -0.419 -2.370 1.00 0.00 H new ATOM 0 HB THR A 99 5.631 0.388 -3.790 1.00 0.00 H new ATOM 0 HG1 THR A 99 8.103 0.635 -5.231 1.00 0.00 H new ATOM 0 HG21 THR A 99 5.904 2.433 -5.160 1.00 0.00 H new ATOM 0 HG22 THR A 99 5.990 2.811 -3.422 1.00 0.00 H new ATOM 0 HG23 THR A 99 7.481 2.738 -4.391 1.00 0.00 H new ATOM 1568 N ASP A 100 9.747 0.860 -1.927 1.00 0.00 N ATOM 1569 CA ASP A 100 11.175 1.270 -2.069 1.00 0.00 C ATOM 1570 C ASP A 100 11.813 0.524 -3.242 1.00 0.00 C ATOM 1571 O ASP A 100 12.397 -0.530 -3.074 1.00 0.00 O ATOM 1572 CB ASP A 100 11.926 0.938 -0.776 1.00 0.00 C ATOM 1573 CG ASP A 100 13.352 1.487 -0.857 1.00 0.00 C ATOM 1574 OD1 ASP A 100 13.534 2.654 -0.551 1.00 0.00 O ATOM 1575 OD2 ASP A 100 14.236 0.731 -1.223 1.00 0.00 O ATOM 0 H ASP A 100 9.516 0.409 -1.042 1.00 0.00 H new ATOM 0 HA ASP A 100 11.229 2.342 -2.258 1.00 0.00 H new ATOM 0 HB2 ASP A 100 11.407 1.370 0.079 1.00 0.00 H new ATOM 0 HB3 ASP A 100 11.949 -0.141 -0.623 1.00 0.00 H new ATOM 1580 N GLY A 101 11.705 1.067 -4.428 1.00 0.00 N ATOM 1581 CA GLY A 101 12.304 0.402 -5.622 1.00 0.00 C ATOM 1582 C GLY A 101 11.346 -0.666 -6.151 1.00 0.00 C ATOM 1583 O GLY A 101 11.168 -1.706 -5.545 1.00 0.00 O ATOM 0 H GLY A 101 11.225 1.946 -4.620 1.00 0.00 H new ATOM 0 HA2 GLY A 101 12.506 1.140 -6.398 1.00 0.00 H new ATOM 0 HA3 GLY A 101 13.259 -0.051 -5.357 1.00 0.00 H new ATOM 1587 N GLU A 102 10.733 -0.416 -7.281 1.00 0.00 N ATOM 1588 CA GLU A 102 9.786 -1.412 -7.861 1.00 0.00 C ATOM 1589 C GLU A 102 10.478 -2.168 -8.998 1.00 0.00 C ATOM 1590 O GLU A 102 10.203 -3.329 -9.238 1.00 0.00 O ATOM 1591 CB GLU A 102 8.554 -0.688 -8.409 1.00 0.00 C ATOM 1592 CG GLU A 102 7.504 -1.716 -8.833 1.00 0.00 C ATOM 1593 CD GLU A 102 6.527 -1.073 -9.819 1.00 0.00 C ATOM 1594 OE1 GLU A 102 6.011 -0.013 -9.506 1.00 0.00 O ATOM 1595 OE2 GLU A 102 6.311 -1.653 -10.870 1.00 0.00 O ATOM 0 H GLU A 102 10.849 0.438 -7.827 1.00 0.00 H new ATOM 0 HA GLU A 102 9.479 -2.115 -7.087 1.00 0.00 H new ATOM 0 HB2 GLU A 102 8.142 -0.024 -7.649 1.00 0.00 H new ATOM 0 HB3 GLU A 102 8.833 -0.066 -9.259 1.00 0.00 H new ATOM 0 HG2 GLU A 102 7.988 -2.577 -9.294 1.00 0.00 H new ATOM 0 HG3 GLU A 102 6.966 -2.083 -7.959 1.00 0.00 H new ATOM 1602 N MET A 103 11.374 -1.518 -9.695 1.00 0.00 N ATOM 1603 CA MET A 103 12.091 -2.189 -10.818 1.00 0.00 C ATOM 1604 C MET A 103 13.512 -1.630 -10.922 1.00 0.00 C ATOM 1605 O MET A 103 13.708 -0.449 -11.134 1.00 0.00 O ATOM 1606 CB MET A 103 11.345 -1.930 -12.129 1.00 0.00 C ATOM 1607 CG MET A 103 10.369 -3.078 -12.395 1.00 0.00 C ATOM 1608 SD MET A 103 9.307 -2.655 -13.797 1.00 0.00 S ATOM 1609 CE MET A 103 10.396 -3.271 -15.105 1.00 0.00 C ATOM 0 H MET A 103 11.640 -0.547 -9.533 1.00 0.00 H new ATOM 0 HA MET A 103 12.134 -3.262 -10.631 1.00 0.00 H new ATOM 0 HB2 MET A 103 10.805 -0.985 -12.072 1.00 0.00 H new ATOM 0 HB3 MET A 103 12.054 -1.843 -12.952 1.00 0.00 H new ATOM 0 HG2 MET A 103 10.919 -3.995 -12.605 1.00 0.00 H new ATOM 0 HG3 MET A 103 9.762 -3.266 -11.509 1.00 0.00 H new ATOM 0 HE1 MET A 103 9.927 -3.108 -16.076 1.00 0.00 H new ATOM 0 HE2 MET A 103 11.347 -2.740 -15.067 1.00 0.00 H new ATOM 0 HE3 MET A 103 10.570 -4.337 -14.961 1.00 0.00 H new ATOM 1619 N GLY A 104 14.501 -2.474 -10.775 1.00 0.00 N ATOM 1620 CA GLY A 104 15.914 -2.003 -10.865 1.00 0.00 C ATOM 1621 C GLY A 104 16.799 -3.136 -11.389 1.00 0.00 C ATOM 1622 O GLY A 104 17.376 -3.039 -12.456 1.00 0.00 O ATOM 0 H GLY A 104 14.389 -3.472 -10.596 1.00 0.00 H new ATOM 0 HA2 GLY A 104 15.979 -1.140 -11.528 1.00 0.00 H new ATOM 0 HA3 GLY A 104 16.263 -1.679 -9.885 1.00 0.00 H new ATOM 1626 N LYS A 105 16.906 -4.208 -10.647 1.00 0.00 N ATOM 1627 CA LYS A 105 17.752 -5.353 -11.094 1.00 0.00 C ATOM 1628 C LYS A 105 17.162 -5.952 -12.373 1.00 0.00 C ATOM 1629 O LYS A 105 16.084 -5.534 -12.757 1.00 0.00 O ATOM 1630 CB LYS A 105 17.783 -6.422 -9.998 1.00 0.00 C ATOM 1631 CG LYS A 105 18.625 -5.924 -8.823 1.00 0.00 C ATOM 1632 CD LYS A 105 19.293 -7.114 -8.133 1.00 0.00 C ATOM 1633 CE LYS A 105 20.652 -6.686 -7.572 1.00 0.00 C ATOM 1634 NZ LYS A 105 21.616 -7.816 -7.690 1.00 0.00 N ATOM 0 H LYS A 105 16.442 -4.339 -9.748 1.00 0.00 H new ATOM 0 HA LYS A 105 18.766 -5.003 -11.289 1.00 0.00 H new ATOM 0 HB2 LYS A 105 16.770 -6.645 -9.664 1.00 0.00 H new ATOM 0 HB3 LYS A 105 18.200 -7.349 -10.391 1.00 0.00 H new ATOM 0 HG2 LYS A 105 19.382 -5.223 -9.175 1.00 0.00 H new ATOM 0 HG3 LYS A 105 17.996 -5.385 -8.114 1.00 0.00 H new ATOM 0 HD2 LYS A 105 18.657 -7.485 -7.329 1.00 0.00 H new ATOM 0 HD3 LYS A 105 19.422 -7.932 -8.841 1.00 0.00 H new ATOM 0 HE2 LYS A 105 21.025 -5.818 -8.115 1.00 0.00 H new ATOM 0 HE3 LYS A 105 20.549 -6.389 -6.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 22.539 -7.526 -7.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 21.261 -8.633 -7.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 21.722 -8.079 -8.691 1.00 0.00 H new TER 1648 LYS A 105