USER MOD reduce.3.24.130724 H: found=0, std=0, add=428, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 431 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 Set 1.1: A 27 SER OG : rot 66:sc= 0.475 USER MOD Set 1.2: A 33 SER OG : rot -24:sc= 0.72 USER MOD Set 1.3: A 37 GLN : amide:sc= -0.531 K(o=0.66,f=-2.1!) USER MOD Single : A 6 GLN :FLIP amide:sc=-0.00796 F(o=-1.4!,f=-0.008) USER MOD Single : A 7 GLN :FLIP amide:sc= -0.109 F(o=-1,f=-0.11) USER MOD Single : A 8 GLN :FLIP amide:sc= -0.326 F(o=-1.2,f=-0.33) USER MOD Single : A 13 GLN : amide:sc= -0.194 X(o=-0.19,f=-0.19) USER MOD Single : A 26 GLN :FLIP amide:sc= -0.0404 F(o=-1.5!,f=-0.04) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -28:sc= 0.394 USER MOD Single : A 65 GLN :FLIP amide:sc=-0.000844 F(o=-0.99,f=-0.00084) USER MOD Single : A 66 MET CE :methyl 159:sc= -0.199 (180deg=-1.31) USER MOD Single : A 68 LYS NZ :NH3+ -162:sc= -0.0153 (180deg=-0.402) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 6 2.340 -10.617 12.251 1.00 0.00 N ATOM 2 CA GLN A 6 1.426 -9.513 12.516 1.00 0.00 C ATOM 3 C GLN A 6 2.191 -8.300 13.038 1.00 0.00 C ATOM 4 O GLN A 6 1.765 -7.159 12.855 1.00 0.00 O ATOM 5 CB GLN A 6 0.376 -9.937 13.544 1.00 0.00 C ATOM 6 CG GLN A 6 -0.709 -8.862 13.639 1.00 0.00 C ATOM 7 CD GLN A 6 -1.714 -9.229 14.724 1.00 0.00 C ATOM 8 OE1 GLN A 6 -1.423 -10.172 15.578 1.00 0.00 O flip ATOM 9 NE2 GLN A 6 -2.794 -8.641 14.797 1.00 0.00 N flip ATOM 0 HA GLN A 6 0.931 -9.244 11.583 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -0.066 -10.891 13.256 1.00 0.00 H new ATOM 0 HB3 GLN A 6 0.843 -10.084 14.518 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -0.256 -7.896 13.863 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -1.217 -8.761 12.680 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -3.020 -7.904 14.129 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -3.462 -8.891 15.526 1.00 0.00 H new ATOM 18 N GLN A 7 3.321 -8.555 13.688 1.00 0.00 N ATOM 19 CA GLN A 7 4.137 -7.476 14.229 1.00 0.00 C ATOM 20 C GLN A 7 4.353 -6.393 13.177 1.00 0.00 C ATOM 21 O GLN A 7 3.971 -5.240 13.371 1.00 0.00 O ATOM 22 CB GLN A 7 5.491 -8.023 14.688 1.00 0.00 C ATOM 23 CG GLN A 7 5.291 -8.966 15.878 1.00 0.00 C ATOM 24 CD GLN A 7 6.611 -9.161 16.616 1.00 0.00 C ATOM 25 OE1 GLN A 7 7.395 -8.136 16.810 1.00 0.00 O flip ATOM 26 NE2 GLN A 7 6.936 -10.275 17.025 1.00 0.00 N flip ATOM 0 H GLN A 7 3.690 -9.492 13.852 1.00 0.00 H new ATOM 0 HA GLN A 7 3.615 -7.042 15.082 1.00 0.00 H new ATOM 0 HB2 GLN A 7 5.976 -8.554 13.869 1.00 0.00 H new ATOM 0 HB3 GLN A 7 6.149 -7.201 14.970 1.00 0.00 H new ATOM 0 HG2 GLN A 7 4.543 -8.556 16.556 1.00 0.00 H new ATOM 0 HG3 GLN A 7 4.913 -9.928 15.531 1.00 0.00 H new ATOM 0 HE21 GLN A 7 6.321 -11.074 16.872 1.00 0.00 H new ATOM 0 HE22 GLN A 7 7.821 -10.399 17.517 1.00 0.00 H new ATOM 35 N GLN A 8 4.967 -6.773 12.062 1.00 0.00 N ATOM 36 CA GLN A 8 5.228 -5.825 10.986 1.00 0.00 C ATOM 37 C GLN A 8 3.964 -5.040 10.645 1.00 0.00 C ATOM 38 O GLN A 8 4.030 -3.864 10.289 1.00 0.00 O ATOM 39 CB GLN A 8 5.724 -6.568 9.744 1.00 0.00 C ATOM 40 CG GLN A 8 7.182 -6.990 9.946 1.00 0.00 C ATOM 41 CD GLN A 8 8.104 -5.789 9.764 1.00 0.00 C ATOM 42 OE1 GLN A 8 8.324 -4.988 10.772 1.00 0.00 O flip ATOM 43 NE2 GLN A 8 8.637 -5.573 8.676 1.00 0.00 N flip ATOM 0 H GLN A 8 5.291 -7.723 11.880 1.00 0.00 H new ATOM 0 HA GLN A 8 5.995 -5.126 11.320 1.00 0.00 H new ATOM 0 HB2 GLN A 8 5.103 -7.445 9.560 1.00 0.00 H new ATOM 0 HB3 GLN A 8 5.639 -5.927 8.866 1.00 0.00 H new ATOM 0 HG2 GLN A 8 7.312 -7.411 10.943 1.00 0.00 H new ATOM 0 HG3 GLN A 8 7.445 -7.772 9.233 1.00 0.00 H new ATOM 0 HE21 GLN A 8 8.464 -6.200 7.890 1.00 0.00 H new ATOM 0 HE22 GLN A 8 9.252 -4.767 8.560 1.00 0.00 H new ATOM 52 N ALA A 9 2.815 -5.699 10.753 1.00 0.00 N ATOM 53 CA ALA A 9 1.544 -5.050 10.451 1.00 0.00 C ATOM 54 C ALA A 9 1.257 -3.935 11.454 1.00 0.00 C ATOM 55 O ALA A 9 1.227 -2.759 11.095 1.00 0.00 O ATOM 56 CB ALA A 9 0.409 -6.076 10.485 1.00 0.00 C ATOM 0 H ALA A 9 2.737 -6.673 11.045 1.00 0.00 H new ATOM 0 HA ALA A 9 1.610 -4.616 9.453 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.535 -5.581 10.258 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.599 -6.853 9.744 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.354 -6.525 11.477 1.00 0.00 H new ATOM 62 N VAL A 10 1.048 -4.313 12.712 1.00 0.00 N ATOM 63 CA VAL A 10 0.763 -3.333 13.754 1.00 0.00 C ATOM 64 C VAL A 10 1.916 -2.343 13.891 1.00 0.00 C ATOM 65 O VAL A 10 1.700 -1.134 13.975 1.00 0.00 O ATOM 66 CB VAL A 10 0.526 -4.040 15.092 1.00 0.00 C ATOM 67 CG1 VAL A 10 1.713 -4.950 15.412 1.00 0.00 C ATOM 68 CG2 VAL A 10 0.373 -2.996 16.201 1.00 0.00 C ATOM 0 H VAL A 10 1.070 -5.281 13.032 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.137 -2.785 13.473 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.382 -4.640 15.026 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.541 -5.451 16.364 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.823 -5.695 14.624 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.623 -4.353 15.476 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.204 -3.499 17.153 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.281 -2.396 16.263 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.475 -2.349 15.977 1.00 0.00 H new ATOM 78 N LEU A 11 3.140 -2.861 13.912 1.00 0.00 N ATOM 79 CA LEU A 11 4.315 -2.006 14.037 1.00 0.00 C ATOM 80 C LEU A 11 4.293 -0.915 12.970 1.00 0.00 C ATOM 81 O LEU A 11 4.319 0.275 13.284 1.00 0.00 O ATOM 82 CB LEU A 11 5.594 -2.836 13.885 1.00 0.00 C ATOM 83 CG LEU A 11 5.805 -3.717 15.124 1.00 0.00 C ATOM 84 CD1 LEU A 11 7.021 -4.618 14.897 1.00 0.00 C ATOM 85 CD2 LEU A 11 6.047 -2.838 16.362 1.00 0.00 C ATOM 0 H LEU A 11 3.343 -3.858 13.845 1.00 0.00 H new ATOM 0 HA LEU A 11 4.299 -1.545 15.024 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.528 -3.460 12.993 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.451 -2.176 13.749 1.00 0.00 H new ATOM 0 HG LEU A 11 4.916 -4.325 15.288 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.177 -5.247 15.774 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.849 -5.248 14.024 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.905 -4.002 14.731 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.195 -3.473 17.236 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.934 -2.224 16.205 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.183 -2.193 16.525 1.00 0.00 H new ATOM 97 N GLU A 12 4.245 -1.330 11.709 1.00 0.00 N ATOM 98 CA GLU A 12 4.220 -0.381 10.602 1.00 0.00 C ATOM 99 C GLU A 12 2.990 0.516 10.694 1.00 0.00 C ATOM 100 O GLU A 12 3.052 1.705 10.382 1.00 0.00 O ATOM 101 CB GLU A 12 4.206 -1.132 9.270 1.00 0.00 C ATOM 102 CG GLU A 12 5.535 -1.868 9.083 1.00 0.00 C ATOM 103 CD GLU A 12 6.628 -0.879 8.689 1.00 0.00 C ATOM 104 OE1 GLU A 12 6.423 -0.153 7.731 1.00 0.00 O ATOM 105 OE2 GLU A 12 7.652 -0.864 9.352 1.00 0.00 O ATOM 0 H GLU A 12 4.223 -2.311 11.429 1.00 0.00 H new ATOM 0 HA GLU A 12 5.114 0.239 10.660 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.379 -1.842 9.250 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.047 -0.434 8.449 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.810 -2.379 10.006 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.431 -2.633 8.314 1.00 0.00 H new ATOM 112 N GLN A 13 1.874 -0.061 11.125 1.00 0.00 N ATOM 113 CA GLN A 13 0.635 0.697 11.254 1.00 0.00 C ATOM 114 C GLN A 13 0.800 1.821 12.271 1.00 0.00 C ATOM 115 O GLN A 13 0.323 2.936 12.061 1.00 0.00 O ATOM 116 CB GLN A 13 -0.502 -0.228 11.693 1.00 0.00 C ATOM 117 CG GLN A 13 -1.844 0.477 11.485 1.00 0.00 C ATOM 118 CD GLN A 13 -2.149 0.591 9.996 1.00 0.00 C ATOM 119 OE1 GLN A 13 -2.423 -0.414 9.338 1.00 0.00 O ATOM 120 NE2 GLN A 13 -2.117 1.762 9.421 1.00 0.00 N ATOM 0 H GLN A 13 1.801 -1.044 11.389 1.00 0.00 H new ATOM 0 HA GLN A 13 0.394 1.131 10.284 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.473 -1.154 11.119 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -0.380 -0.499 12.742 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -2.637 -0.079 11.985 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -1.816 1.469 11.936 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.890 2.593 9.968 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.319 1.847 8.425 1.00 0.00 H new ATOM 129 N GLU A 14 1.480 1.521 13.372 1.00 0.00 N ATOM 130 CA GLU A 14 1.702 2.517 14.415 1.00 0.00 C ATOM 131 C GLU A 14 2.645 3.609 13.921 1.00 0.00 C ATOM 132 O GLU A 14 2.307 4.792 13.947 1.00 0.00 O ATOM 133 CB GLU A 14 2.298 1.850 15.657 1.00 0.00 C ATOM 134 CG GLU A 14 1.214 1.040 16.373 1.00 0.00 C ATOM 135 CD GLU A 14 1.779 0.434 17.652 1.00 0.00 C ATOM 136 OE1 GLU A 14 2.553 -0.504 17.550 1.00 0.00 O ATOM 137 OE2 GLU A 14 1.429 0.915 18.718 1.00 0.00 O ATOM 0 H GLU A 14 1.884 0.605 13.565 1.00 0.00 H new ATOM 0 HA GLU A 14 0.743 2.968 14.670 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.124 1.199 15.372 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.705 2.606 16.329 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.365 1.681 16.608 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.846 0.250 15.718 1.00 0.00 H new ATOM 144 N ARG A 15 3.827 3.204 13.470 1.00 0.00 N ATOM 145 CA ARG A 15 4.811 4.158 12.973 1.00 0.00 C ATOM 146 C ARG A 15 4.175 5.106 11.962 1.00 0.00 C ATOM 147 O ARG A 15 4.304 6.325 12.073 1.00 0.00 O ATOM 148 CB ARG A 15 5.977 3.412 12.316 1.00 0.00 C ATOM 149 CG ARG A 15 6.879 2.800 13.396 1.00 0.00 C ATOM 150 CD ARG A 15 7.949 3.814 13.814 1.00 0.00 C ATOM 151 NE ARG A 15 8.755 3.276 14.903 1.00 0.00 N ATOM 152 CZ ARG A 15 9.697 4.009 15.488 1.00 0.00 C ATOM 153 NH1 ARG A 15 9.915 5.232 15.087 1.00 0.00 N ATOM 154 NH2 ARG A 15 10.405 3.506 16.462 1.00 0.00 N ATOM 0 H ARG A 15 4.126 2.229 13.438 1.00 0.00 H new ATOM 0 HA ARG A 15 5.183 4.741 13.816 1.00 0.00 H new ATOM 0 HB2 ARG A 15 5.596 2.629 11.661 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.553 4.096 11.693 1.00 0.00 H new ATOM 0 HG2 ARG A 15 6.282 2.511 14.261 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.352 1.894 13.017 1.00 0.00 H new ATOM 0 HD2 ARG A 15 8.587 4.052 12.963 1.00 0.00 H new ATOM 0 HD3 ARG A 15 7.476 4.745 14.128 1.00 0.00 H new ATOM 0 HE ARG A 15 8.593 2.321 15.222 1.00 0.00 H new ATOM 0 HH11 ARG A 15 9.363 5.625 14.325 1.00 0.00 H new ATOM 0 HH12 ARG A 15 10.638 5.795 15.536 1.00 0.00 H new ATOM 0 HH21 ARG A 15 10.236 2.550 16.775 1.00 0.00 H new ATOM 0 HH22 ARG A 15 11.128 4.069 16.911 1.00 0.00 H new ATOM 168 N ARG A 16 3.488 4.538 10.975 1.00 0.00 N ATOM 169 CA ARG A 16 2.838 5.345 9.950 1.00 0.00 C ATOM 170 C ARG A 16 1.734 6.204 10.559 1.00 0.00 C ATOM 171 O ARG A 16 1.794 7.432 10.513 1.00 0.00 O ATOM 172 CB ARG A 16 2.244 4.439 8.869 1.00 0.00 C ATOM 173 CG ARG A 16 1.701 5.296 7.726 1.00 0.00 C ATOM 174 CD ARG A 16 1.311 4.395 6.553 1.00 0.00 C ATOM 175 NE ARG A 16 2.449 3.580 6.143 1.00 0.00 N ATOM 176 CZ ARG A 16 2.405 2.850 5.033 1.00 0.00 C ATOM 177 NH1 ARG A 16 1.332 2.853 4.291 1.00 0.00 N ATOM 178 NH2 ARG A 16 3.436 2.128 4.687 1.00 0.00 N ATOM 0 H ARG A 16 3.368 3.531 10.864 1.00 0.00 H new ATOM 0 HA ARG A 16 3.587 6.000 9.505 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.005 3.755 8.494 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.446 3.828 9.290 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.835 5.866 8.064 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.454 6.018 7.409 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.479 3.752 6.840 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.970 5.003 5.715 1.00 0.00 H new ATOM 0 HE ARG A 16 3.292 3.570 6.717 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.526 3.416 4.562 1.00 0.00 H new ATOM 0 HH12 ARG A 16 1.299 2.293 3.439 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.274 2.124 5.268 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.403 1.567 3.835 1.00 0.00 H new ATOM 192 N ASP A 17 0.724 5.549 11.125 1.00 0.00 N ATOM 193 CA ASP A 17 -0.392 6.264 11.738 1.00 0.00 C ATOM 194 C ASP A 17 0.104 7.486 12.507 1.00 0.00 C ATOM 195 O ASP A 17 -0.445 8.579 12.374 1.00 0.00 O ATOM 196 CB ASP A 17 -1.148 5.333 12.688 1.00 0.00 C ATOM 197 CG ASP A 17 -2.380 6.044 13.241 1.00 0.00 C ATOM 198 OD1 ASP A 17 -2.225 6.823 14.167 1.00 0.00 O ATOM 199 OD2 ASP A 17 -3.460 5.798 12.730 1.00 0.00 O ATOM 0 H ASP A 17 0.655 4.532 11.172 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.061 6.599 10.945 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.446 4.426 12.162 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -0.496 5.027 13.506 1.00 0.00 H new ATOM 204 N ARG A 18 1.145 7.290 13.311 1.00 0.00 N ATOM 205 CA ARG A 18 1.705 8.384 14.096 1.00 0.00 C ATOM 206 C ARG A 18 2.280 9.463 13.183 1.00 0.00 C ATOM 207 O ARG A 18 1.907 10.631 13.277 1.00 0.00 O ATOM 208 CB ARG A 18 2.806 7.854 15.021 1.00 0.00 C ATOM 209 CG ARG A 18 2.225 6.794 15.970 1.00 0.00 C ATOM 210 CD ARG A 18 1.767 7.454 17.275 1.00 0.00 C ATOM 211 NE ARG A 18 0.696 8.407 17.015 1.00 0.00 N ATOM 212 CZ ARG A 18 -0.550 7.999 16.799 1.00 0.00 C ATOM 213 NH1 ARG A 18 -0.832 6.725 16.820 1.00 0.00 N ATOM 214 NH2 ARG A 18 -1.491 8.872 16.567 1.00 0.00 N ATOM 0 H ARG A 18 1.614 6.393 13.435 1.00 0.00 H new ATOM 0 HA ARG A 18 0.906 8.821 14.695 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.613 7.422 14.430 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.236 8.674 15.597 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.385 6.289 15.494 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.976 6.033 16.182 1.00 0.00 H new ATOM 0 HD2 ARG A 18 1.422 6.692 17.974 1.00 0.00 H new ATOM 0 HD3 ARG A 18 2.608 7.962 17.747 1.00 0.00 H new ATOM 0 HE ARG A 18 0.906 9.405 16.998 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -0.096 6.043 17.002 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -1.788 6.412 16.654 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -1.270 9.868 16.551 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -2.447 8.559 16.401 1.00 0.00 H new ATOM 228 N GLU A 19 3.189 9.064 12.300 1.00 0.00 N ATOM 229 CA GLU A 19 3.807 10.007 11.375 1.00 0.00 C ATOM 230 C GLU A 19 2.750 10.915 10.750 1.00 0.00 C ATOM 231 O GLU A 19 2.801 12.135 10.897 1.00 0.00 O ATOM 232 CB GLU A 19 4.549 9.249 10.271 1.00 0.00 C ATOM 233 CG GLU A 19 5.845 8.660 10.835 1.00 0.00 C ATOM 234 CD GLU A 19 6.900 9.753 10.969 1.00 0.00 C ATOM 235 OE1 GLU A 19 7.214 10.373 9.967 1.00 0.00 O ATOM 236 OE2 GLU A 19 7.380 9.953 12.074 1.00 0.00 O ATOM 0 H GLU A 19 3.512 8.101 12.205 1.00 0.00 H new ATOM 0 HA GLU A 19 4.515 10.621 11.932 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.918 8.453 9.875 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.773 9.920 9.442 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.655 8.206 11.807 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.210 7.869 10.180 1.00 0.00 H new ATOM 243 N LEU A 20 1.794 10.309 10.054 1.00 0.00 N ATOM 244 CA LEU A 20 0.731 11.073 9.414 1.00 0.00 C ATOM 245 C LEU A 20 -0.005 11.927 10.443 1.00 0.00 C ATOM 246 O LEU A 20 0.054 13.156 10.400 1.00 0.00 O ATOM 247 CB LEU A 20 -0.257 10.124 8.728 1.00 0.00 C ATOM 248 CG LEU A 20 0.299 9.697 7.368 1.00 0.00 C ATOM 249 CD1 LEU A 20 1.689 9.084 7.553 1.00 0.00 C ATOM 250 CD2 LEU A 20 -0.634 8.661 6.739 1.00 0.00 C ATOM 0 H LEU A 20 1.734 9.300 9.920 1.00 0.00 H new ATOM 0 HA LEU A 20 1.177 11.729 8.667 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.428 9.248 9.353 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.220 10.617 8.599 1.00 0.00 H new ATOM 0 HG LEU A 20 0.370 10.567 6.716 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.085 8.780 6.584 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.355 9.821 8.002 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.619 8.214 8.205 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.239 8.356 5.770 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.705 7.791 7.392 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.624 9.096 6.606 1.00 0.00 H new ATOM 262 N ALA A 21 -0.695 11.267 11.369 1.00 0.00 N ATOM 263 CA ALA A 21 -1.440 11.974 12.405 1.00 0.00 C ATOM 264 C ALA A 21 -0.640 13.167 12.924 1.00 0.00 C ATOM 265 O ALA A 21 -1.206 14.210 13.254 1.00 0.00 O ATOM 266 CB ALA A 21 -1.754 11.026 13.563 1.00 0.00 C ATOM 0 H ALA A 21 -0.754 10.250 11.423 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.371 12.337 11.970 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.310 11.562 14.332 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.352 10.191 13.198 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.823 10.648 13.986 1.00 0.00 H new ATOM 272 N LEU A 22 0.677 13.006 12.990 1.00 0.00 N ATOM 273 CA LEU A 22 1.544 14.077 13.469 1.00 0.00 C ATOM 274 C LEU A 22 1.555 15.232 12.474 1.00 0.00 C ATOM 275 O LEU A 22 1.317 16.382 12.842 1.00 0.00 O ATOM 276 CB LEU A 22 2.970 13.552 13.664 1.00 0.00 C ATOM 277 CG LEU A 22 3.759 14.511 14.567 1.00 0.00 C ATOM 278 CD1 LEU A 22 3.550 14.132 16.036 1.00 0.00 C ATOM 279 CD2 LEU A 22 5.251 14.419 14.230 1.00 0.00 C ATOM 0 H LEU A 22 1.165 12.152 12.720 1.00 0.00 H new ATOM 0 HA LEU A 22 1.159 14.434 14.424 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.943 12.558 14.110 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.467 13.455 12.699 1.00 0.00 H new ATOM 0 HG LEU A 22 3.406 15.529 14.402 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.112 14.816 16.672 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.490 14.197 16.281 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.899 13.113 16.202 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.811 15.100 14.871 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.598 13.399 14.393 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.406 14.693 13.186 1.00 0.00 H new ATOM 291 N ARG A 23 1.825 14.917 11.212 1.00 0.00 N ATOM 292 CA ARG A 23 1.857 15.938 10.173 1.00 0.00 C ATOM 293 C ARG A 23 0.524 16.677 10.122 1.00 0.00 C ATOM 294 O ARG A 23 0.467 17.897 10.291 1.00 0.00 O ATOM 295 CB ARG A 23 2.138 15.293 8.813 1.00 0.00 C ATOM 296 CG ARG A 23 3.635 15.013 8.676 1.00 0.00 C ATOM 297 CD ARG A 23 3.881 14.149 7.437 1.00 0.00 C ATOM 298 NE ARG A 23 3.186 14.710 6.284 1.00 0.00 N ATOM 299 CZ ARG A 23 3.612 15.825 5.701 1.00 0.00 C ATOM 300 NH1 ARG A 23 4.669 16.438 6.158 1.00 0.00 N ATOM 301 NH2 ARG A 23 2.973 16.306 4.669 1.00 0.00 N ATOM 0 H ARG A 23 2.023 13.971 10.886 1.00 0.00 H new ATOM 0 HA ARG A 23 2.651 16.648 10.405 1.00 0.00 H new ATOM 0 HB2 ARG A 23 1.574 14.365 8.716 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.807 15.953 8.011 1.00 0.00 H new ATOM 0 HG2 ARG A 23 4.185 15.950 8.594 1.00 0.00 H new ATOM 0 HG3 ARG A 23 4.004 14.504 9.567 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.950 14.090 7.233 1.00 0.00 H new ATOM 0 HD3 ARG A 23 3.535 13.132 7.620 1.00 0.00 H new ATOM 0 HE ARG A 23 2.359 14.238 5.919 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.169 16.061 6.963 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.996 17.294 5.710 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.147 15.826 4.311 1.00 0.00 H new ATOM 0 HH22 ARG A 23 3.299 17.162 4.221 1.00 0.00 H new ATOM 315 N ILE A 24 -0.550 15.929 9.893 1.00 0.00 N ATOM 316 CA ILE A 24 -1.876 16.525 9.829 1.00 0.00 C ATOM 317 C ILE A 24 -2.101 17.421 11.039 1.00 0.00 C ATOM 318 O ILE A 24 -2.398 18.607 10.900 1.00 0.00 O ATOM 319 CB ILE A 24 -2.945 15.431 9.791 1.00 0.00 C ATOM 320 CG1 ILE A 24 -2.577 14.399 8.721 1.00 0.00 C ATOM 321 CG2 ILE A 24 -4.302 16.054 9.452 1.00 0.00 C ATOM 322 CD1 ILE A 24 -3.727 13.405 8.550 1.00 0.00 C ATOM 0 H ILE A 24 -0.528 14.919 9.750 1.00 0.00 H new ATOM 0 HA ILE A 24 -1.948 17.123 8.921 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.002 14.944 10.764 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.371 14.899 7.775 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -1.667 13.872 9.007 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.064 15.275 9.425 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.564 16.791 10.211 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.246 16.540 8.478 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.464 12.671 7.788 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.911 12.896 9.496 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.627 13.939 8.244 1.00 0.00 H new ATOM 334 N ALA A 25 -1.948 16.847 12.227 1.00 0.00 N ATOM 335 CA ALA A 25 -2.130 17.605 13.459 1.00 0.00 C ATOM 336 C ALA A 25 -1.384 18.932 13.378 1.00 0.00 C ATOM 337 O ALA A 25 -1.915 19.978 13.752 1.00 0.00 O ATOM 338 CB ALA A 25 -1.614 16.798 14.651 1.00 0.00 C ATOM 0 H ALA A 25 -1.700 15.867 12.363 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.194 17.803 13.592 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.754 17.372 15.567 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.166 15.861 14.722 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.554 16.585 14.515 1.00 0.00 H new ATOM 344 N GLN A 26 -0.151 18.881 12.885 1.00 0.00 N ATOM 345 CA GLN A 26 0.661 20.085 12.756 1.00 0.00 C ATOM 346 C GLN A 26 0.089 20.999 11.677 1.00 0.00 C ATOM 347 O GLN A 26 0.300 22.212 11.702 1.00 0.00 O ATOM 348 CB GLN A 26 2.101 19.710 12.402 1.00 0.00 C ATOM 349 CG GLN A 26 2.791 19.109 13.627 1.00 0.00 C ATOM 350 CD GLN A 26 4.076 18.404 13.209 1.00 0.00 C ATOM 351 OE1 GLN A 26 4.012 17.220 12.663 1.00 0.00 O flip ATOM 352 NE2 GLN A 26 5.167 18.946 13.384 1.00 0.00 N flip ATOM 0 H GLN A 26 0.305 18.025 12.570 1.00 0.00 H new ATOM 0 HA GLN A 26 0.650 20.614 13.709 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.109 18.994 11.580 1.00 0.00 H new ATOM 0 HB3 GLN A 26 2.644 20.592 12.062 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.016 19.894 14.349 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.123 18.403 14.121 1.00 0.00 H new ATOM 0 HE21 GLN A 26 5.214 19.871 13.811 1.00 0.00 H new ATOM 0 HE22 GLN A 26 6.024 18.470 13.102 1.00 0.00 H new ATOM 361 N SER A 27 -0.640 20.410 10.733 1.00 0.00 N ATOM 362 CA SER A 27 -1.238 21.187 9.654 1.00 0.00 C ATOM 363 C SER A 27 -2.432 21.974 10.176 1.00 0.00 C ATOM 364 O SER A 27 -2.485 23.198 10.053 1.00 0.00 O ATOM 365 CB SER A 27 -1.687 20.260 8.525 1.00 0.00 C ATOM 366 OG SER A 27 -1.981 21.036 7.371 1.00 0.00 O ATOM 0 H SER A 27 -0.829 19.408 10.694 1.00 0.00 H new ATOM 0 HA SER A 27 -0.492 21.882 9.269 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.904 19.535 8.301 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.567 19.694 8.831 1.00 0.00 H new ATOM 0 HG SER A 27 -1.158 21.450 7.037 1.00 0.00 H new ATOM 372 N GLU A 28 -3.385 21.264 10.770 1.00 0.00 N ATOM 373 CA GLU A 28 -4.569 21.911 11.320 1.00 0.00 C ATOM 374 C GLU A 28 -4.165 22.907 12.397 1.00 0.00 C ATOM 375 O GLU A 28 -4.750 23.983 12.517 1.00 0.00 O ATOM 376 CB GLU A 28 -5.508 20.860 11.923 1.00 0.00 C ATOM 377 CG GLU A 28 -5.385 19.548 11.142 1.00 0.00 C ATOM 378 CD GLU A 28 -6.671 18.738 11.269 1.00 0.00 C ATOM 379 OE1 GLU A 28 -7.673 19.162 10.716 1.00 0.00 O ATOM 380 OE2 GLU A 28 -6.636 17.705 11.917 1.00 0.00 O ATOM 0 H GLU A 28 -3.361 20.250 10.882 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.085 22.438 10.517 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.259 20.695 12.971 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.537 21.218 11.892 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.181 19.759 10.092 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.543 18.969 11.520 1.00 0.00 H new ATOM 387 N ALA A 29 -3.158 22.534 13.180 1.00 0.00 N ATOM 388 CA ALA A 29 -2.679 23.396 14.249 1.00 0.00 C ATOM 389 C ALA A 29 -2.074 24.674 13.675 1.00 0.00 C ATOM 390 O ALA A 29 -2.397 25.776 14.117 1.00 0.00 O ATOM 391 CB ALA A 29 -1.627 22.661 15.081 1.00 0.00 C ATOM 0 H ALA A 29 -2.662 21.647 13.094 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.525 23.660 14.884 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.273 23.314 15.879 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.068 21.763 15.515 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.789 22.381 14.443 1.00 0.00 H new ATOM 397 N GLU A 30 -1.196 24.517 12.689 1.00 0.00 N ATOM 398 CA GLU A 30 -0.553 25.667 12.064 1.00 0.00 C ATOM 399 C GLU A 30 -1.520 26.374 11.119 1.00 0.00 C ATOM 400 O GLU A 30 -1.388 27.569 10.861 1.00 0.00 O ATOM 401 CB GLU A 30 0.684 25.212 11.286 1.00 0.00 C ATOM 402 CG GLU A 30 1.802 24.848 12.266 1.00 0.00 C ATOM 403 CD GLU A 30 2.434 26.114 12.830 1.00 0.00 C ATOM 404 OE1 GLU A 30 3.276 26.684 12.155 1.00 0.00 O ATOM 405 OE2 GLU A 30 2.069 26.497 13.930 1.00 0.00 O ATOM 0 H GLU A 30 -0.916 23.613 12.309 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.255 26.364 12.847 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.438 24.352 10.663 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.017 26.005 10.617 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.402 24.239 13.077 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.559 24.248 11.760 1.00 0.00 H new ATOM 412 N LEU A 31 -2.493 25.627 10.609 1.00 0.00 N ATOM 413 CA LEU A 31 -3.478 26.194 9.696 1.00 0.00 C ATOM 414 C LEU A 31 -2.790 26.987 8.587 1.00 0.00 C ATOM 415 O LEU A 31 -3.367 27.921 8.029 1.00 0.00 O ATOM 416 CB LEU A 31 -4.438 27.108 10.466 1.00 0.00 C ATOM 417 CG LEU A 31 -5.749 27.273 9.683 1.00 0.00 C ATOM 418 CD1 LEU A 31 -6.707 26.128 10.026 1.00 0.00 C ATOM 419 CD2 LEU A 31 -6.403 28.606 10.057 1.00 0.00 C ATOM 0 H LEU A 31 -2.620 24.635 10.810 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.040 25.377 9.244 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.643 26.687 11.450 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.976 28.082 10.626 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.532 27.256 8.615 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.635 26.250 9.468 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.247 25.176 9.760 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.922 26.141 11.095 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.333 28.723 9.501 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.615 28.620 11.126 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.727 29.425 9.810 1.00 0.00 H new ATOM 450 N SER A 33 -0.596 25.363 5.775 1.00 0.00 N ATOM 451 CA SER A 33 -0.753 24.611 4.534 1.00 0.00 C ATOM 452 C SER A 33 -2.212 24.228 4.315 1.00 0.00 C ATOM 453 O SER A 33 -2.529 23.065 4.069 1.00 0.00 O ATOM 454 CB SER A 33 0.105 23.349 4.577 1.00 0.00 C ATOM 455 OG SER A 33 -0.185 22.622 5.764 1.00 0.00 O ATOM 0 HA SER A 33 -0.430 25.244 3.708 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.093 22.731 3.701 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.162 23.613 4.548 1.00 0.00 H new ATOM 0 HG SER A 33 -0.552 23.231 6.439 1.00 0.00 H new ATOM 461 N ASP A 34 -3.094 25.216 4.401 1.00 0.00 N ATOM 462 CA ASP A 34 -4.518 24.972 4.206 1.00 0.00 C ATOM 463 C ASP A 34 -4.781 24.477 2.787 1.00 0.00 C ATOM 464 O ASP A 34 -5.758 23.769 2.536 1.00 0.00 O ATOM 465 CB ASP A 34 -5.307 26.259 4.455 1.00 0.00 C ATOM 466 CG ASP A 34 -5.358 26.558 5.950 1.00 0.00 C ATOM 467 OD1 ASP A 34 -5.746 25.676 6.697 1.00 0.00 O ATOM 468 OD2 ASP A 34 -5.007 27.665 6.324 1.00 0.00 O ATOM 0 H ASP A 34 -2.852 26.186 4.603 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.840 24.208 4.913 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.841 27.090 3.925 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -6.318 26.157 4.061 1.00 0.00 H new ATOM 473 N GLU A 35 -3.899 24.850 1.865 1.00 0.00 N ATOM 474 CA GLU A 35 -4.042 24.436 0.474 1.00 0.00 C ATOM 475 C GLU A 35 -3.996 22.917 0.366 1.00 0.00 C ATOM 476 O GLU A 35 -4.814 22.308 -0.323 1.00 0.00 O ATOM 477 CB GLU A 35 -2.923 25.047 -0.373 1.00 0.00 C ATOM 478 CG GLU A 35 -1.572 24.484 0.077 1.00 0.00 C ATOM 479 CD GLU A 35 -0.441 25.363 -0.445 1.00 0.00 C ATOM 480 OE1 GLU A 35 -0.260 25.410 -1.650 1.00 0.00 O ATOM 481 OE2 GLU A 35 0.229 25.977 0.369 1.00 0.00 O ATOM 0 H GLU A 35 -3.084 25.434 2.054 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.005 24.788 0.105 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.088 24.824 -1.427 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.928 26.132 -0.272 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.533 24.435 1.165 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.452 23.465 -0.292 1.00 0.00 H new ATOM 488 N ALA A 36 -3.036 22.309 1.054 1.00 0.00 N ATOM 489 CA ALA A 36 -2.896 20.859 1.031 1.00 0.00 C ATOM 490 C ALA A 36 -4.178 20.198 1.524 1.00 0.00 C ATOM 491 O ALA A 36 -4.809 19.427 0.801 1.00 0.00 O ATOM 492 CB ALA A 36 -1.724 20.431 1.917 1.00 0.00 C ATOM 0 H ALA A 36 -2.348 22.794 1.630 1.00 0.00 H new ATOM 0 HA ALA A 36 -2.705 20.544 0.005 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.627 19.346 1.893 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.804 20.885 1.548 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.904 20.757 2.941 1.00 0.00 H new ATOM 498 N GLN A 37 -4.562 20.511 2.757 1.00 0.00 N ATOM 499 CA GLN A 37 -5.776 19.944 3.335 1.00 0.00 C ATOM 500 C GLN A 37 -6.926 20.029 2.336 1.00 0.00 C ATOM 501 O GLN A 37 -7.559 19.022 2.016 1.00 0.00 O ATOM 502 CB GLN A 37 -6.149 20.696 4.616 1.00 0.00 C ATOM 503 CG GLN A 37 -4.883 21.012 5.417 1.00 0.00 C ATOM 504 CD GLN A 37 -4.031 19.755 5.570 1.00 0.00 C ATOM 505 OE1 GLN A 37 -2.983 19.635 4.937 1.00 0.00 O ATOM 506 NE2 GLN A 37 -4.421 18.809 6.379 1.00 0.00 N ATOM 0 H GLN A 37 -4.056 21.149 3.371 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.591 18.897 3.575 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -6.673 21.619 4.368 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.830 20.094 5.217 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -4.310 21.790 4.913 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -5.152 21.400 6.399 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -5.290 18.912 6.902 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.856 17.967 6.488 1.00 0.00 H new ATOM 515 N ALA A 38 -7.189 21.236 1.847 1.00 0.00 N ATOM 516 CA ALA A 38 -8.264 21.441 0.884 1.00 0.00 C ATOM 517 C ALA A 38 -8.012 20.622 -0.378 1.00 0.00 C ATOM 518 O ALA A 38 -8.905 19.933 -0.872 1.00 0.00 O ATOM 519 CB ALA A 38 -8.367 22.925 0.523 1.00 0.00 C ATOM 0 H ALA A 38 -6.677 22.081 2.099 1.00 0.00 H new ATOM 0 HA ALA A 38 -9.201 21.114 1.335 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -9.173 23.069 -0.197 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.576 23.505 1.422 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.426 23.259 0.086 1.00 0.00 H new ATOM 525 N ASP A 39 -6.789 20.701 -0.895 1.00 0.00 N ATOM 526 CA ASP A 39 -6.430 19.960 -2.098 1.00 0.00 C ATOM 527 C ASP A 39 -6.726 18.475 -1.922 1.00 0.00 C ATOM 528 O ASP A 39 -7.634 17.934 -2.555 1.00 0.00 O ATOM 529 CB ASP A 39 -4.945 20.153 -2.409 1.00 0.00 C ATOM 530 CG ASP A 39 -4.689 21.586 -2.866 1.00 0.00 C ATOM 531 OD1 ASP A 39 -5.561 22.415 -2.665 1.00 0.00 O ATOM 532 OD2 ASP A 39 -3.625 21.832 -3.410 1.00 0.00 O ATOM 0 H ASP A 39 -6.036 21.266 -0.503 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.026 20.342 -2.927 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.348 19.933 -1.524 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.634 19.454 -3.185 1.00 0.00 H new ATOM 537 N LEU A 40 -5.957 17.821 -1.056 1.00 0.00 N ATOM 538 CA LEU A 40 -6.150 16.398 -0.803 1.00 0.00 C ATOM 539 C LEU A 40 -7.637 16.080 -0.659 1.00 0.00 C ATOM 540 O LEU A 40 -8.149 15.166 -1.303 1.00 0.00 O ATOM 541 CB LEU A 40 -5.406 15.988 0.475 1.00 0.00 C ATOM 542 CG LEU A 40 -3.954 15.635 0.138 1.00 0.00 C ATOM 543 CD1 LEU A 40 -3.277 16.828 -0.537 1.00 0.00 C ATOM 544 CD2 LEU A 40 -3.205 15.289 1.428 1.00 0.00 C ATOM 0 H LEU A 40 -5.201 18.250 -0.522 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.751 15.837 -1.648 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.433 16.802 1.200 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.900 15.133 0.936 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.937 14.780 -0.538 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.244 16.573 -0.775 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.810 17.078 -1.454 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.293 17.685 0.137 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.171 15.037 1.192 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.225 16.146 2.101 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.685 14.437 1.910 1.00 0.00 H new ATOM 556 N ALA A 41 -8.322 16.842 0.187 1.00 0.00 N ATOM 557 CA ALA A 41 -9.749 16.633 0.404 1.00 0.00 C ATOM 558 C ALA A 41 -10.510 16.742 -0.913 1.00 0.00 C ATOM 559 O ALA A 41 -11.414 15.953 -1.185 1.00 0.00 O ATOM 560 CB ALA A 41 -10.285 17.669 1.395 1.00 0.00 C ATOM 0 H ALA A 41 -7.916 17.604 0.730 1.00 0.00 H new ATOM 0 HA ALA A 41 -9.894 15.633 0.813 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.351 17.506 1.551 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -9.760 17.570 2.345 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.126 18.671 0.996 1.00 0.00 H new ATOM 566 N LEU A 42 -10.137 17.724 -1.727 1.00 0.00 N ATOM 567 CA LEU A 42 -10.793 17.923 -3.014 1.00 0.00 C ATOM 568 C LEU A 42 -10.282 16.907 -4.031 1.00 0.00 C ATOM 569 O LEU A 42 -10.886 16.712 -5.086 1.00 0.00 O ATOM 570 CB LEU A 42 -10.524 19.343 -3.526 1.00 0.00 C ATOM 571 CG LEU A 42 -11.400 20.346 -2.763 1.00 0.00 C ATOM 572 CD1 LEU A 42 -10.717 21.716 -2.744 1.00 0.00 C ATOM 573 CD2 LEU A 42 -12.763 20.472 -3.454 1.00 0.00 C ATOM 0 H LEU A 42 -9.391 18.389 -1.521 1.00 0.00 H new ATOM 0 HA LEU A 42 -11.866 17.785 -2.882 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -9.471 19.593 -3.395 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.735 19.400 -4.594 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.540 19.993 -1.741 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -11.341 22.426 -2.202 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.749 21.633 -2.250 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -10.574 22.066 -3.767 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -13.382 21.185 -2.910 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -12.621 20.821 -4.477 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -13.255 19.500 -3.467 1.00 0.00 H new ATOM 585 N ARG A 43 -9.165 16.262 -3.705 1.00 0.00 N ATOM 586 CA ARG A 43 -8.581 15.267 -4.596 1.00 0.00 C ATOM 587 C ARG A 43 -9.279 13.921 -4.426 1.00 0.00 C ATOM 588 O ARG A 43 -9.698 13.301 -5.405 1.00 0.00 O ATOM 589 CB ARG A 43 -7.089 15.110 -4.297 1.00 0.00 C ATOM 590 CG ARG A 43 -6.436 14.258 -5.388 1.00 0.00 C ATOM 591 CD ARG A 43 -4.919 14.260 -5.197 1.00 0.00 C ATOM 592 NE ARG A 43 -4.307 13.218 -6.014 1.00 0.00 N ATOM 593 CZ ARG A 43 -4.152 13.375 -7.324 1.00 0.00 C ATOM 594 NH1 ARG A 43 -4.550 14.477 -7.902 1.00 0.00 N ATOM 595 NH2 ARG A 43 -3.602 12.429 -8.035 1.00 0.00 N ATOM 0 H ARG A 43 -8.650 16.410 -2.837 1.00 0.00 H new ATOM 0 HA ARG A 43 -8.712 15.605 -5.624 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -6.612 16.089 -4.251 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -6.950 14.641 -3.323 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -6.817 13.238 -5.345 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -6.690 14.652 -6.372 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.512 15.233 -5.471 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.677 14.098 -4.147 1.00 0.00 H new ATOM 0 HE ARG A 43 -3.993 12.354 -5.572 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -4.980 15.217 -7.347 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -4.431 14.597 -8.908 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -3.291 11.568 -7.585 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -3.483 12.550 -9.041 1.00 0.00 H new ATOM 609 N ARG A 44 -9.401 13.474 -3.181 1.00 0.00 N ATOM 610 CA ARG A 44 -10.050 12.199 -2.899 1.00 0.00 C ATOM 611 C ARG A 44 -11.525 12.254 -3.285 1.00 0.00 C ATOM 612 O ARG A 44 -12.246 11.264 -3.163 1.00 0.00 O ATOM 613 CB ARG A 44 -9.924 11.860 -1.410 1.00 0.00 C ATOM 614 CG ARG A 44 -10.435 13.034 -0.561 1.00 0.00 C ATOM 615 CD ARG A 44 -11.131 12.499 0.695 1.00 0.00 C ATOM 616 NE ARG A 44 -11.643 13.605 1.498 1.00 0.00 N ATOM 617 CZ ARG A 44 -12.708 13.454 2.280 1.00 0.00 C ATOM 618 NH1 ARG A 44 -13.317 12.301 2.342 1.00 0.00 N ATOM 619 NH2 ARG A 44 -13.146 14.461 2.986 1.00 0.00 N ATOM 0 H ARG A 44 -9.062 13.971 -2.357 1.00 0.00 H new ATOM 0 HA ARG A 44 -9.557 11.426 -3.488 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -10.496 10.960 -1.183 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -8.884 11.647 -1.163 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -9.604 13.681 -0.280 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -11.129 13.641 -1.142 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -11.949 11.837 0.412 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -10.430 11.907 1.283 1.00 0.00 H new ATOM 0 HE ARG A 44 -11.175 14.511 1.459 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -12.976 11.514 1.790 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -14.134 12.187 2.942 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -12.671 15.363 2.937 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -13.963 14.346 3.586 1.00 0.00 H new ATOM 633 N SER A 45 -11.965 13.418 -3.750 1.00 0.00 N ATOM 634 CA SER A 45 -13.357 13.595 -4.150 1.00 0.00 C ATOM 635 C SER A 45 -13.797 12.467 -5.078 1.00 0.00 C ATOM 636 O SER A 45 -13.728 12.592 -6.300 1.00 0.00 O ATOM 637 CB SER A 45 -13.530 14.938 -4.860 1.00 0.00 C ATOM 638 OG SER A 45 -14.909 15.282 -4.885 1.00 0.00 O ATOM 0 H SER A 45 -11.383 14.248 -3.859 1.00 0.00 H new ATOM 0 HA SER A 45 -13.977 13.575 -3.254 1.00 0.00 H new ATOM 0 HB2 SER A 45 -12.960 15.711 -4.345 1.00 0.00 H new ATOM 0 HB3 SER A 45 -13.140 14.878 -5.876 1.00 0.00 H new ATOM 0 HG SER A 45 -15.023 16.143 -5.338 1.00 0.00 H new ATOM 644 N LEU A 46 -14.250 11.366 -4.487 1.00 0.00 N ATOM 645 CA LEU A 46 -14.701 10.220 -5.268 1.00 0.00 C ATOM 646 C LEU A 46 -16.106 10.465 -5.807 1.00 0.00 C ATOM 647 O LEU A 46 -16.521 9.852 -6.791 1.00 0.00 O ATOM 648 CB LEU A 46 -14.695 8.960 -4.398 1.00 0.00 C ATOM 649 CG LEU A 46 -14.755 7.710 -5.288 1.00 0.00 C ATOM 650 CD1 LEU A 46 -13.341 7.306 -5.717 1.00 0.00 C ATOM 651 CD2 LEU A 46 -15.391 6.556 -4.506 1.00 0.00 C ATOM 0 H LEU A 46 -14.314 11.243 -3.476 1.00 0.00 H new ATOM 0 HA LEU A 46 -14.020 10.082 -6.108 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -13.795 8.936 -3.783 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -15.546 8.974 -3.717 1.00 0.00 H new ATOM 0 HG LEU A 46 -15.352 7.932 -6.172 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -13.392 6.419 -6.348 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -12.883 8.122 -6.275 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -12.741 7.089 -4.833 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -15.434 5.669 -5.137 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -14.792 6.343 -3.621 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -16.400 6.835 -4.203 1.00 0.00 H new ATOM 663 N ASP A 47 -16.835 11.365 -5.155 1.00 0.00 N ATOM 664 CA ASP A 47 -18.194 11.685 -5.576 1.00 0.00 C ATOM 665 C ASP A 47 -18.203 12.209 -7.009 1.00 0.00 C ATOM 666 O ASP A 47 -19.260 12.508 -7.564 1.00 0.00 O ATOM 667 CB ASP A 47 -18.796 12.737 -4.642 1.00 0.00 C ATOM 668 CG ASP A 47 -20.288 12.884 -4.919 1.00 0.00 C ATOM 669 OD1 ASP A 47 -20.800 12.126 -5.726 1.00 0.00 O ATOM 670 OD2 ASP A 47 -20.899 13.754 -4.319 1.00 0.00 O ATOM 0 H ASP A 47 -16.510 11.883 -4.338 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.792 10.775 -5.531 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -18.637 12.447 -3.603 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -18.294 13.694 -4.786 1.00 0.00 H new ATOM 675 N SER A 48 -17.018 12.319 -7.602 1.00 0.00 N ATOM 676 CA SER A 48 -16.903 12.809 -8.971 1.00 0.00 C ATOM 677 C SER A 48 -17.973 12.182 -9.858 1.00 0.00 C ATOM 678 O SER A 48 -18.936 12.843 -10.247 1.00 0.00 O ATOM 679 CB SER A 48 -15.519 12.477 -9.529 1.00 0.00 C ATOM 680 OG SER A 48 -15.529 12.642 -10.941 1.00 0.00 O ATOM 0 H SER A 48 -16.131 12.078 -7.160 1.00 0.00 H new ATOM 0 HA SER A 48 -17.043 13.890 -8.962 1.00 0.00 H new ATOM 0 HB2 SER A 48 -14.768 13.128 -9.081 1.00 0.00 H new ATOM 0 HB3 SER A 48 -15.247 11.453 -9.273 1.00 0.00 H new ATOM 0 HG SER A 48 -14.642 12.431 -11.301 1.00 0.00 H new ATOM 894 N THR A 62 -32.540 2.691 11.490 1.00 0.00 N ATOM 895 CA THR A 62 -32.770 1.893 12.694 1.00 0.00 C ATOM 896 C THR A 62 -31.833 2.338 13.817 1.00 0.00 C ATOM 897 O THR A 62 -30.727 2.812 13.557 1.00 0.00 O ATOM 898 CB THR A 62 -32.529 0.413 12.386 1.00 0.00 C ATOM 899 OG1 THR A 62 -31.356 0.282 11.594 1.00 0.00 O ATOM 900 CG2 THR A 62 -33.726 -0.156 11.623 1.00 0.00 C ATOM 0 HA THR A 62 -33.801 2.038 13.016 1.00 0.00 H new ATOM 0 HB THR A 62 -32.404 -0.136 13.319 1.00 0.00 H new ATOM 0 HG1 THR A 62 -31.223 1.099 11.069 1.00 0.00 H new ATOM 0 HG21 THR A 62 -33.551 -1.210 11.405 1.00 0.00 H new ATOM 0 HG22 THR A 62 -34.626 -0.055 12.230 1.00 0.00 H new ATOM 0 HG23 THR A 62 -33.855 0.391 10.689 1.00 0.00 H new ATOM 908 N PRO A 63 -32.247 2.191 15.053 1.00 0.00 N ATOM 909 CA PRO A 63 -31.418 2.582 16.225 1.00 0.00 C ATOM 910 C PRO A 63 -29.942 2.247 16.023 1.00 0.00 C ATOM 911 O PRO A 63 -29.068 3.083 16.250 1.00 0.00 O ATOM 912 CB PRO A 63 -32.019 1.761 17.366 1.00 0.00 C ATOM 913 CG PRO A 63 -33.458 1.578 17.003 1.00 0.00 C ATOM 914 CD PRO A 63 -33.547 1.638 15.471 1.00 0.00 C ATOM 0 HA PRO A 63 -31.435 3.656 16.408 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -31.514 0.801 17.468 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -31.916 2.279 18.320 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -33.831 0.623 17.374 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -34.072 2.357 17.456 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -33.715 0.650 15.043 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -34.372 2.271 15.145 1.00 0.00 H new ATOM 922 N GLU A 64 -29.674 1.018 15.592 1.00 0.00 N ATOM 923 CA GLU A 64 -28.301 0.584 15.360 1.00 0.00 C ATOM 924 C GLU A 64 -27.603 1.528 14.387 1.00 0.00 C ATOM 925 O GLU A 64 -26.540 2.070 14.688 1.00 0.00 O ATOM 926 CB GLU A 64 -28.291 -0.838 14.794 1.00 0.00 C ATOM 927 CG GLU A 64 -26.849 -1.342 14.702 1.00 0.00 C ATOM 928 CD GLU A 64 -26.829 -2.763 14.150 1.00 0.00 C ATOM 929 OE1 GLU A 64 -27.887 -3.254 13.793 1.00 0.00 O ATOM 930 OE2 GLU A 64 -25.756 -3.341 14.093 1.00 0.00 O ATOM 0 H GLU A 64 -30.383 0.311 15.398 1.00 0.00 H new ATOM 0 HA GLU A 64 -27.767 0.598 16.310 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -28.878 -1.499 15.432 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -28.756 -0.851 13.808 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -26.265 -0.684 14.058 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -26.383 -1.319 15.687 1.00 0.00 H new ATOM 937 N GLN A 65 -28.212 1.723 13.224 1.00 0.00 N ATOM 938 CA GLN A 65 -27.644 2.608 12.215 1.00 0.00 C ATOM 939 C GLN A 65 -27.310 3.965 12.827 1.00 0.00 C ATOM 940 O GLN A 65 -26.179 4.442 12.727 1.00 0.00 O ATOM 941 CB GLN A 65 -28.637 2.795 11.067 1.00 0.00 C ATOM 942 CG GLN A 65 -28.673 1.528 10.210 1.00 0.00 C ATOM 943 CD GLN A 65 -29.606 1.732 9.022 1.00 0.00 C ATOM 944 OE1 GLN A 65 -29.728 2.920 8.497 1.00 0.00 O flip ATOM 945 NE2 GLN A 65 -30.242 0.784 8.561 1.00 0.00 N flip ATOM 0 H GLN A 65 -29.093 1.284 12.957 1.00 0.00 H new ATOM 0 HA GLN A 65 -26.729 2.157 11.832 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -29.630 3.007 11.463 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -28.347 3.651 10.457 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -27.670 1.288 9.859 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -29.012 0.683 10.809 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -30.145 -0.144 8.973 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -30.866 0.927 7.767 1.00 0.00 H new ATOM 954 N MET A 66 -28.302 4.579 13.463 1.00 0.00 N ATOM 955 CA MET A 66 -28.104 5.880 14.091 1.00 0.00 C ATOM 956 C MET A 66 -26.896 5.844 15.021 1.00 0.00 C ATOM 957 O MET A 66 -25.923 6.572 14.822 1.00 0.00 O ATOM 958 CB MET A 66 -29.350 6.270 14.889 1.00 0.00 C ATOM 959 CG MET A 66 -30.524 6.488 13.932 1.00 0.00 C ATOM 960 SD MET A 66 -32.074 6.478 14.866 1.00 0.00 S ATOM 961 CE MET A 66 -31.625 7.756 16.066 1.00 0.00 C ATOM 0 H MET A 66 -29.244 4.200 13.557 1.00 0.00 H new ATOM 0 HA MET A 66 -27.928 6.618 13.309 1.00 0.00 H new ATOM 0 HB2 MET A 66 -29.594 5.488 15.608 1.00 0.00 H new ATOM 0 HB3 MET A 66 -29.159 7.179 15.460 1.00 0.00 H new ATOM 0 HG2 MET A 66 -30.409 7.437 13.408 1.00 0.00 H new ATOM 0 HG3 MET A 66 -30.539 5.705 13.174 1.00 0.00 H new ATOM 0 HE1 MET A 66 -32.530 8.180 16.502 1.00 0.00 H new ATOM 0 HE2 MET A 66 -31.014 7.316 16.854 1.00 0.00 H new ATOM 0 HE3 MET A 66 -31.060 8.543 15.566 1.00 0.00 H new ATOM 971 N ALA A 67 -26.966 4.991 16.037 1.00 0.00 N ATOM 972 CA ALA A 67 -25.873 4.867 16.995 1.00 0.00 C ATOM 973 C ALA A 67 -24.539 4.723 16.269 1.00 0.00 C ATOM 974 O ALA A 67 -23.618 5.510 16.483 1.00 0.00 O ATOM 975 CB ALA A 67 -26.102 3.650 17.893 1.00 0.00 C ATOM 0 H ALA A 67 -27.762 4.379 16.218 1.00 0.00 H new ATOM 0 HA ALA A 67 -25.845 5.769 17.606 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -25.282 3.564 18.606 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -27.041 3.768 18.433 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -26.147 2.749 17.281 1.00 0.00 H new ATOM 981 N LYS A 68 -24.444 3.712 15.412 1.00 0.00 N ATOM 982 CA LYS A 68 -23.216 3.474 14.661 1.00 0.00 C ATOM 983 C LYS A 68 -22.818 4.722 13.879 1.00 0.00 C ATOM 984 O LYS A 68 -21.766 5.312 14.127 1.00 0.00 O ATOM 985 CB LYS A 68 -23.414 2.304 13.694 1.00 0.00 C ATOM 986 CG LYS A 68 -22.051 1.807 13.193 1.00 0.00 C ATOM 987 CD LYS A 68 -21.503 0.744 14.151 1.00 0.00 C ATOM 988 CE LYS A 68 -20.019 0.510 13.859 1.00 0.00 C ATOM 989 NZ LYS A 68 -19.840 0.205 12.411 1.00 0.00 N ATOM 0 H LYS A 68 -25.195 3.049 15.221 1.00 0.00 H new ATOM 0 HA LYS A 68 -22.421 3.231 15.366 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -23.946 1.494 14.193 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -24.029 2.617 12.851 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -22.151 1.390 12.191 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -21.353 2.641 13.122 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -21.635 1.067 15.184 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -22.059 -0.187 14.035 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -19.440 1.393 14.130 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -19.644 -0.315 14.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -18.914 -0.245 12.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -20.593 -0.440 12.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -19.888 1.087 11.862 1.00 0.00 H new ATOM 1003 N GLU A 69 -23.664 5.118 12.933 1.00 0.00 N ATOM 1004 CA GLU A 69 -23.389 6.297 12.121 1.00 0.00 C ATOM 1005 C GLU A 69 -22.930 7.458 12.999 1.00 0.00 C ATOM 1006 O GLU A 69 -21.845 8.004 12.805 1.00 0.00 O ATOM 1007 CB GLU A 69 -24.646 6.705 11.349 1.00 0.00 C ATOM 1008 CG GLU A 69 -24.925 5.678 10.250 1.00 0.00 C ATOM 1009 CD GLU A 69 -26.253 5.991 9.569 1.00 0.00 C ATOM 1010 OE1 GLU A 69 -27.281 5.737 10.176 1.00 0.00 O ATOM 1011 OE2 GLU A 69 -26.223 6.478 8.451 1.00 0.00 O ATOM 0 H GLU A 69 -24.539 4.643 12.711 1.00 0.00 H new ATOM 0 HA GLU A 69 -22.594 6.052 11.417 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -25.497 6.769 12.027 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -24.512 7.694 10.912 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -24.119 5.690 9.516 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -24.953 4.675 10.676 1.00 0.00 H new ATOM 1018 N MET A 70 -23.764 7.828 13.966 1.00 0.00 N ATOM 1019 CA MET A 70 -23.433 8.923 14.869 1.00 0.00 C ATOM 1020 C MET A 70 -22.021 8.747 15.425 1.00 0.00 C ATOM 1021 O MET A 70 -21.226 9.686 15.432 1.00 0.00 O ATOM 1022 CB MET A 70 -24.440 8.971 16.024 1.00 0.00 C ATOM 1023 CG MET A 70 -25.715 9.691 15.570 1.00 0.00 C ATOM 1024 SD MET A 70 -26.202 9.097 13.932 1.00 0.00 S ATOM 1025 CE MET A 70 -27.418 10.388 13.574 1.00 0.00 C ATOM 0 H MET A 70 -24.667 7.389 14.143 1.00 0.00 H new ATOM 0 HA MET A 70 -23.478 9.859 14.311 1.00 0.00 H new ATOM 0 HB2 MET A 70 -24.680 7.960 16.352 1.00 0.00 H new ATOM 0 HB3 MET A 70 -24.003 9.488 16.878 1.00 0.00 H new ATOM 0 HG2 MET A 70 -26.518 9.514 16.285 1.00 0.00 H new ATOM 0 HG3 MET A 70 -25.546 10.767 15.541 1.00 0.00 H new ATOM 0 HE1 MET A 70 -27.854 10.215 12.590 1.00 0.00 H new ATOM 0 HE2 MET A 70 -28.205 10.366 14.328 1.00 0.00 H new ATOM 0 HE3 MET A 70 -26.929 11.362 13.588 1.00 0.00 H new ATOM 1035 N SER A 71 -21.720 7.540 15.889 1.00 0.00 N ATOM 1036 CA SER A 71 -20.401 7.253 16.443 1.00 0.00 C ATOM 1037 C SER A 71 -19.316 7.509 15.402 1.00 0.00 C ATOM 1038 O SER A 71 -18.263 8.065 15.713 1.00 0.00 O ATOM 1039 CB SER A 71 -20.335 5.797 16.905 1.00 0.00 C ATOM 1040 OG SER A 71 -19.135 5.592 17.639 1.00 0.00 O ATOM 0 H SER A 71 -22.365 6.750 15.893 1.00 0.00 H new ATOM 0 HA SER A 71 -20.233 7.912 17.295 1.00 0.00 H new ATOM 0 HB2 SER A 71 -21.199 5.561 17.525 1.00 0.00 H new ATOM 0 HB3 SER A 71 -20.368 5.128 16.045 1.00 0.00 H new ATOM 0 HG SER A 71 -19.090 4.660 17.938 1.00 0.00 H new ATOM 1046 N GLU A 72 -19.581 7.100 14.166 1.00 0.00 N ATOM 1047 CA GLU A 72 -18.621 7.291 13.086 1.00 0.00 C ATOM 1048 C GLU A 72 -18.465 8.774 12.765 1.00 0.00 C ATOM 1049 O GLU A 72 -17.356 9.253 12.526 1.00 0.00 O ATOM 1050 CB GLU A 72 -19.089 6.541 11.838 1.00 0.00 C ATOM 1051 CG GLU A 72 -17.951 6.482 10.818 1.00 0.00 C ATOM 1052 CD GLU A 72 -16.916 5.450 11.250 1.00 0.00 C ATOM 1053 OE1 GLU A 72 -17.156 4.776 12.238 1.00 0.00 O ATOM 1054 OE2 GLU A 72 -15.896 5.349 10.588 1.00 0.00 O ATOM 0 H GLU A 72 -20.447 6.637 13.889 1.00 0.00 H new ATOM 0 HA GLU A 72 -17.656 6.898 13.406 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -19.405 5.532 12.105 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -19.954 7.041 11.404 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -18.346 6.224 9.835 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -17.483 7.462 10.726 1.00 0.00 H new ATOM 1061 N PHE A 73 -19.581 9.494 12.760 1.00 0.00 N ATOM 1062 CA PHE A 73 -19.556 10.923 12.466 1.00 0.00 C ATOM 1063 C PHE A 73 -18.738 11.669 13.514 1.00 0.00 C ATOM 1064 O PHE A 73 -17.771 12.357 13.187 1.00 0.00 O ATOM 1065 CB PHE A 73 -20.983 11.476 12.441 1.00 0.00 C ATOM 1066 CG PHE A 73 -20.982 12.848 11.808 1.00 0.00 C ATOM 1067 CD1 PHE A 73 -20.674 12.991 10.450 1.00 0.00 C ATOM 1068 CD2 PHE A 73 -21.288 13.977 12.579 1.00 0.00 C ATOM 1069 CE1 PHE A 73 -20.672 14.261 9.862 1.00 0.00 C ATOM 1070 CE2 PHE A 73 -21.287 15.247 11.990 1.00 0.00 C ATOM 1071 CZ PHE A 73 -20.979 15.390 10.632 1.00 0.00 C ATOM 0 H PHE A 73 -20.508 9.116 12.955 1.00 0.00 H new ATOM 0 HA PHE A 73 -19.094 11.067 11.489 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -21.634 10.806 11.880 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -21.380 11.532 13.454 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -20.438 12.121 9.856 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -21.525 13.868 13.627 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -20.434 14.371 8.814 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -21.524 16.117 12.584 1.00 0.00 H new ATOM 0 HZ PHE A 73 -20.978 16.370 10.178 1.00 0.00 H new ATOM 1081 N LEU A 74 -19.131 11.527 14.776 1.00 0.00 N ATOM 1082 CA LEU A 74 -18.425 12.192 15.866 1.00 0.00 C ATOM 1083 C LEU A 74 -17.021 11.614 16.025 1.00 0.00 C ATOM 1084 O LEU A 74 -16.123 12.275 16.547 1.00 0.00 O ATOM 1085 CB LEU A 74 -19.200 12.021 17.174 1.00 0.00 C ATOM 1086 CG LEU A 74 -20.655 12.453 16.972 1.00 0.00 C ATOM 1087 CD1 LEU A 74 -21.465 12.114 18.226 1.00 0.00 C ATOM 1088 CD2 LEU A 74 -20.717 13.964 16.719 1.00 0.00 C ATOM 0 H LEU A 74 -19.928 10.962 15.068 1.00 0.00 H new ATOM 0 HA LEU A 74 -18.346 13.253 15.628 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -19.161 10.981 17.498 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -18.739 12.617 17.962 1.00 0.00 H new ATOM 0 HG LEU A 74 -21.071 11.926 16.113 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -22.501 12.421 18.084 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -21.426 11.039 18.405 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -21.045 12.640 19.083 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -21.754 14.267 16.576 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -20.299 14.494 17.575 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -20.142 14.207 15.826 1.00 0.00 H new