USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 572 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 59 LYS NZ :NH3+ 147:sc= 1.01 (180deg=-1.2) USER MOD Set 1.2: A 62 GLN : amide:sc= -0.399 K(o=0.62,f=-4.3!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.00518 USER MOD Single : A 7 GLN : amide:sc= -0.267 X(o=-0.27,f=-0.27) USER MOD Single : A 8 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.4) USER MOD Single : A 14 THR OG1 : rot 82:sc= 0.822 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -11:sc= -0.374 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -2.46! X(o=-2.5!,f=-2.3) USER MOD Single : A 25 TYR OH : rot 180:sc= -0.0223 USER MOD Single : A 32 TYR OH : rot -150:sc= -1.23 USER MOD Single : A 33 GLN : amide:sc= -1.02 X(o=-1,f=-1.3!) USER MOD Single : A 34 HIS : no HE2:sc= 0.00714 X(o=0.0071,f=-0.29) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=-0.097) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -176:sc= -2.69! (180deg=-2.77!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot 75:sc= -4.16! USER MOD Single : A 63 TYR OH : rot 23:sc= -0.406 USER MOD Single : A 69 LYS NZ :NH3+ -110:sc= -4.43! (180deg=-7.95!) USER MOD Single : A 71 LYS NZ :NH3+ 156:sc= -1.16 (180deg=-1.82) USER MOD Single : A 73 TYR OH : rot -13:sc= -2.21! USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 4 15.742 -8.922 -1.286 1.00 1.00 N ATOM 16 CA SER A 4 15.944 -7.711 -0.499 1.00 1.00 C ATOM 17 C SER A 4 14.627 -7.249 0.119 1.00 1.00 C ATOM 18 O SER A 4 13.551 -7.493 -0.426 1.00 1.00 O ATOM 19 CB SER A 4 16.517 -6.603 -1.384 1.00 1.00 C ATOM 20 OG SER A 4 17.890 -6.869 -1.636 1.00 1.00 O ATOM 0 HA SER A 4 16.648 -7.932 0.303 1.00 1.00 H new ATOM 0 HB2 SER A 4 15.966 -6.550 -2.323 1.00 1.00 H new ATOM 0 HB3 SER A 4 16.406 -5.636 -0.894 1.00 1.00 H new ATOM 0 HG SER A 4 18.261 -6.162 -2.204 1.00 1.00 H new ATOM 26 N THR A 5 14.719 -6.580 1.262 1.00 1.00 N ATOM 27 CA THR A 5 13.526 -6.093 1.945 1.00 1.00 C ATOM 28 C THR A 5 12.771 -5.110 1.061 1.00 1.00 C ATOM 29 O THR A 5 11.543 -5.169 0.958 1.00 1.00 O ATOM 30 CB THR A 5 13.923 -5.400 3.252 1.00 1.00 C ATOM 31 OG1 THR A 5 14.875 -6.198 3.943 1.00 1.00 O ATOM 32 CG2 THR A 5 12.689 -5.211 4.130 1.00 1.00 C ATOM 0 H THR A 5 15.598 -6.364 1.732 1.00 1.00 H new ATOM 0 HA THR A 5 12.879 -6.943 2.163 1.00 1.00 H new ATOM 0 HB THR A 5 14.358 -4.427 3.024 1.00 1.00 H new ATOM 0 HG1 THR A 5 15.130 -5.753 4.778 1.00 1.00 H new ATOM 0 HG21 THR A 5 12.975 -4.718 5.059 1.00 1.00 H new ATOM 0 HG22 THR A 5 11.958 -4.597 3.603 1.00 1.00 H new ATOM 0 HG23 THR A 5 12.251 -6.183 4.356 1.00 1.00 H new ATOM 40 N LEU A 6 13.505 -4.202 0.430 1.00 1.00 N ATOM 41 CA LEU A 6 12.883 -3.218 -0.433 1.00 1.00 C ATOM 42 C LEU A 6 12.273 -3.878 -1.665 1.00 1.00 C ATOM 43 O LEU A 6 11.168 -3.530 -2.088 1.00 1.00 O ATOM 44 CB LEU A 6 13.925 -2.172 -0.856 1.00 1.00 C ATOM 45 CG LEU A 6 13.227 -0.843 -1.241 1.00 1.00 C ATOM 46 CD1 LEU A 6 14.137 0.328 -0.902 1.00 1.00 C ATOM 47 CD2 LEU A 6 12.910 -0.834 -2.734 1.00 1.00 C ATOM 0 H LEU A 6 14.520 -4.130 0.501 1.00 1.00 H new ATOM 0 HA LEU A 6 12.081 -2.730 0.120 1.00 1.00 H new ATOM 0 HB2 LEU A 6 14.628 -1.999 -0.041 1.00 1.00 H new ATOM 0 HB3 LEU A 6 14.503 -2.545 -1.701 1.00 1.00 H new ATOM 0 HG LEU A 6 12.297 -0.752 -0.680 1.00 1.00 H new ATOM 0 HD11 LEU A 6 13.645 1.262 -1.173 1.00 1.00 H new ATOM 0 HD12 LEU A 6 14.349 0.327 0.167 1.00 1.00 H new ATOM 0 HD13 LEU A 6 15.071 0.236 -1.457 1.00 1.00 H new ATOM 0 HD21 LEU A 6 12.420 0.103 -2.996 1.00 1.00 H new ATOM 0 HD22 LEU A 6 13.835 -0.931 -3.303 1.00 1.00 H new ATOM 0 HD23 LEU A 6 12.249 -1.668 -2.971 1.00 1.00 H new ATOM 59 N GLN A 7 13.003 -4.828 -2.239 1.00 1.00 N ATOM 60 CA GLN A 7 12.526 -5.528 -3.425 1.00 1.00 C ATOM 61 C GLN A 7 11.172 -6.167 -3.135 1.00 1.00 C ATOM 62 O GLN A 7 10.233 -6.044 -3.923 1.00 1.00 O ATOM 63 CB GLN A 7 13.542 -6.592 -3.838 1.00 1.00 C ATOM 64 CG GLN A 7 13.056 -7.305 -5.108 1.00 1.00 C ATOM 65 CD GLN A 7 12.915 -6.305 -6.249 1.00 1.00 C ATOM 66 OE1 GLN A 7 13.910 -5.749 -6.716 1.00 1.00 O ATOM 67 NE2 GLN A 7 11.726 -6.021 -6.709 1.00 1.00 N ATOM 0 H GLN A 7 13.919 -5.129 -1.906 1.00 1.00 H new ATOM 0 HA GLN A 7 12.409 -4.819 -4.244 1.00 1.00 H new ATOM 0 HB2 GLN A 7 14.513 -6.131 -4.017 1.00 1.00 H new ATOM 0 HB3 GLN A 7 13.675 -7.314 -3.032 1.00 1.00 H new ATOM 0 HG2 GLN A 7 13.760 -8.089 -5.386 1.00 1.00 H new ATOM 0 HG3 GLN A 7 12.098 -7.790 -4.918 1.00 1.00 H new ATOM 0 HE21 GLN A 7 10.905 -6.484 -6.320 1.00 1.00 H new ATOM 0 HE22 GLN A 7 11.619 -5.337 -7.458 1.00 1.00 H new ATOM 76 N LYS A 8 11.073 -6.825 -1.988 1.00 1.00 N ATOM 77 CA LYS A 8 9.821 -7.448 -1.592 1.00 1.00 C ATOM 78 C LYS A 8 8.755 -6.376 -1.406 1.00 1.00 C ATOM 79 O LYS A 8 7.596 -6.580 -1.774 1.00 1.00 O ATOM 80 CB LYS A 8 10.018 -8.234 -0.282 1.00 1.00 C ATOM 81 CG LYS A 8 10.200 -9.730 -0.585 1.00 1.00 C ATOM 82 CD LYS A 8 8.830 -10.360 -0.889 1.00 1.00 C ATOM 83 CE LYS A 8 8.926 -11.870 -0.732 1.00 1.00 C ATOM 84 NZ LYS A 8 10.059 -12.380 -1.552 1.00 1.00 N ATOM 0 H LYS A 8 11.837 -6.940 -1.322 1.00 1.00 H new ATOM 0 HA LYS A 8 9.499 -8.140 -2.370 1.00 1.00 H new ATOM 0 HB2 LYS A 8 10.890 -7.854 0.251 1.00 1.00 H new ATOM 0 HB3 LYS A 8 9.157 -8.089 0.371 1.00 1.00 H new ATOM 0 HG2 LYS A 8 10.870 -9.861 -1.435 1.00 1.00 H new ATOM 0 HG3 LYS A 8 10.662 -10.231 0.265 1.00 1.00 H new ATOM 0 HD2 LYS A 8 8.075 -9.960 -0.213 1.00 1.00 H new ATOM 0 HD3 LYS A 8 8.517 -10.107 -1.902 1.00 1.00 H new ATOM 0 HE2 LYS A 8 9.075 -12.129 0.316 1.00 1.00 H new ATOM 0 HE3 LYS A 8 7.994 -12.340 -1.047 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 9.941 -13.401 -1.711 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 10.075 -11.887 -2.467 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 10.954 -12.209 -1.051 1.00 1.00 H new ATOM 98 N ALA A 9 9.149 -5.242 -0.830 1.00 1.00 N ATOM 99 CA ALA A 9 8.202 -4.160 -0.600 1.00 1.00 C ATOM 100 C ALA A 9 7.554 -3.724 -1.916 1.00 1.00 C ATOM 101 O ALA A 9 6.332 -3.598 -2.011 1.00 1.00 O ATOM 102 CB ALA A 9 8.932 -2.976 0.039 1.00 1.00 C ATOM 0 H ALA A 9 10.102 -5.052 -0.519 1.00 1.00 H new ATOM 0 HA ALA A 9 7.417 -4.512 0.070 1.00 1.00 H new ATOM 0 HB1 ALA A 9 8.226 -2.164 0.213 1.00 1.00 H new ATOM 0 HB2 ALA A 9 9.368 -3.287 0.988 1.00 1.00 H new ATOM 0 HB3 ALA A 9 9.723 -2.633 -0.628 1.00 1.00 H new ATOM 108 N ILE A 10 8.385 -3.513 -2.928 1.00 1.00 N ATOM 109 CA ILE A 10 7.898 -3.104 -4.242 1.00 1.00 C ATOM 110 C ILE A 10 6.998 -4.201 -4.819 1.00 1.00 C ATOM 111 O ILE A 10 5.983 -3.937 -5.443 1.00 1.00 O ATOM 112 CB ILE A 10 9.070 -2.834 -5.181 1.00 1.00 C ATOM 113 CG1 ILE A 10 9.833 -1.596 -4.703 1.00 1.00 C ATOM 114 CG2 ILE A 10 8.539 -2.586 -6.597 1.00 1.00 C ATOM 115 CD1 ILE A 10 11.182 -1.521 -5.421 1.00 1.00 C ATOM 0 H ILE A 10 9.398 -3.618 -2.866 1.00 1.00 H new ATOM 0 HA ILE A 10 7.321 -2.185 -4.139 1.00 1.00 H new ATOM 0 HB ILE A 10 9.738 -3.695 -5.185 1.00 1.00 H new ATOM 0 HG12 ILE A 10 9.251 -0.697 -4.904 1.00 1.00 H new ATOM 0 HG13 ILE A 10 9.985 -1.643 -3.625 1.00 1.00 H new ATOM 0 HG21 ILE A 10 9.374 -2.393 -7.270 1.00 1.00 H new ATOM 0 HG22 ILE A 10 7.993 -3.465 -6.940 1.00 1.00 H new ATOM 0 HG23 ILE A 10 7.872 -1.724 -6.590 1.00 1.00 H new ATOM 0 HD11 ILE A 10 11.726 -0.640 -5.082 1.00 1.00 H new ATOM 0 HD12 ILE A 10 11.764 -2.415 -5.197 1.00 1.00 H new ATOM 0 HD13 ILE A 10 11.018 -1.454 -6.497 1.00 1.00 H new ATOM 127 N ASP A 11 7.397 -5.442 -4.644 1.00 1.00 N ATOM 128 CA ASP A 11 6.611 -6.548 -5.173 1.00 1.00 C ATOM 129 C ASP A 11 5.211 -6.554 -4.557 1.00 1.00 C ATOM 130 O ASP A 11 4.211 -6.776 -5.255 1.00 1.00 O ATOM 131 CB ASP A 11 7.312 -7.868 -4.848 1.00 1.00 C ATOM 132 CG ASP A 11 6.759 -8.989 -5.724 1.00 1.00 C ATOM 133 OD1 ASP A 11 5.672 -8.820 -6.248 1.00 1.00 O ATOM 134 OD2 ASP A 11 7.427 -10.000 -5.853 1.00 1.00 O ATOM 0 H ASP A 11 8.246 -5.714 -4.149 1.00 1.00 H new ATOM 0 HA ASP A 11 6.520 -6.429 -6.253 1.00 1.00 H new ATOM 0 HB2 ASP A 11 8.385 -7.767 -5.009 1.00 1.00 H new ATOM 0 HB3 ASP A 11 7.169 -8.115 -3.796 1.00 1.00 H new ATOM 139 N LEU A 12 5.145 -6.330 -3.247 1.00 1.00 N ATOM 140 CA LEU A 12 3.864 -6.333 -2.551 1.00 1.00 C ATOM 141 C LEU A 12 2.982 -5.178 -2.994 1.00 1.00 C ATOM 142 O LEU A 12 1.783 -5.351 -3.220 1.00 1.00 O ATOM 143 CB LEU A 12 4.101 -6.227 -1.040 1.00 1.00 C ATOM 144 CG LEU A 12 4.870 -7.463 -0.544 1.00 1.00 C ATOM 145 CD1 LEU A 12 5.518 -7.157 0.810 1.00 1.00 C ATOM 146 CD2 LEU A 12 3.922 -8.658 -0.397 1.00 1.00 C ATOM 0 H LEU A 12 5.954 -6.146 -2.653 1.00 1.00 H new ATOM 0 HA LEU A 12 3.356 -7.266 -2.794 1.00 1.00 H new ATOM 0 HB2 LEU A 12 4.665 -5.322 -0.814 1.00 1.00 H new ATOM 0 HB3 LEU A 12 3.147 -6.147 -0.518 1.00 1.00 H new ATOM 0 HG LEU A 12 5.642 -7.711 -1.273 1.00 1.00 H new ATOM 0 HD11 LEU A 12 6.062 -8.034 1.159 1.00 1.00 H new ATOM 0 HD12 LEU A 12 6.209 -6.321 0.702 1.00 1.00 H new ATOM 0 HD13 LEU A 12 4.745 -6.898 1.533 1.00 1.00 H new ATOM 0 HD21 LEU A 12 4.481 -9.525 -0.045 1.00 1.00 H new ATOM 0 HD22 LEU A 12 3.139 -8.415 0.322 1.00 1.00 H new ATOM 0 HD23 LEU A 12 3.470 -8.885 -1.363 1.00 1.00 H new ATOM 158 N VAL A 13 3.581 -4.002 -3.118 1.00 1.00 N ATOM 159 CA VAL A 13 2.834 -2.823 -3.539 1.00 1.00 C ATOM 160 C VAL A 13 2.404 -2.941 -4.997 1.00 1.00 C ATOM 161 O VAL A 13 1.305 -2.528 -5.369 1.00 1.00 O ATOM 162 CB VAL A 13 3.680 -1.558 -3.334 1.00 1.00 C ATOM 163 CG1 VAL A 13 4.672 -1.406 -4.482 1.00 1.00 C ATOM 164 CG2 VAL A 13 2.776 -0.329 -3.285 1.00 1.00 C ATOM 0 H VAL A 13 4.571 -3.838 -2.936 1.00 1.00 H new ATOM 0 HA VAL A 13 1.936 -2.751 -2.925 1.00 1.00 H new ATOM 0 HB VAL A 13 4.223 -1.647 -2.393 1.00 1.00 H new ATOM 0 HG11 VAL A 13 5.269 -0.507 -4.330 1.00 1.00 H new ATOM 0 HG12 VAL A 13 5.328 -2.276 -4.514 1.00 1.00 H new ATOM 0 HG13 VAL A 13 4.129 -1.327 -5.424 1.00 1.00 H new ATOM 0 HG21 VAL A 13 3.384 0.564 -3.139 1.00 1.00 H new ATOM 0 HG22 VAL A 13 2.226 -0.245 -4.222 1.00 1.00 H new ATOM 0 HG23 VAL A 13 2.072 -0.428 -2.459 1.00 1.00 H new ATOM 174 N THR A 14 3.285 -3.497 -5.825 1.00 1.00 N ATOM 175 CA THR A 14 2.985 -3.648 -7.246 1.00 1.00 C ATOM 176 C THR A 14 1.695 -4.463 -7.405 1.00 1.00 C ATOM 177 O THR A 14 0.760 -4.062 -8.117 1.00 1.00 O ATOM 178 CB THR A 14 4.152 -4.364 -7.943 1.00 1.00 C ATOM 179 OG1 THR A 14 5.244 -3.461 -8.091 1.00 1.00 O ATOM 180 CG2 THR A 14 3.706 -4.861 -9.321 1.00 1.00 C ATOM 0 H THR A 14 4.201 -3.846 -5.542 1.00 1.00 H new ATOM 0 HA THR A 14 2.849 -2.667 -7.702 1.00 1.00 H new ATOM 0 HB THR A 14 4.464 -5.216 -7.339 1.00 1.00 H new ATOM 0 HG1 THR A 14 5.750 -3.420 -7.253 1.00 1.00 H new ATOM 0 HG21 THR A 14 4.537 -5.368 -9.811 1.00 1.00 H new ATOM 0 HG22 THR A 14 2.874 -5.556 -9.205 1.00 1.00 H new ATOM 0 HG23 THR A 14 3.389 -4.013 -9.928 1.00 1.00 H new ATOM 188 N LYS A 15 1.640 -5.599 -6.721 1.00 1.00 N ATOM 189 CA LYS A 15 0.452 -6.436 -6.783 1.00 1.00 C ATOM 190 C LYS A 15 -0.727 -5.688 -6.161 1.00 1.00 C ATOM 191 O LYS A 15 -1.836 -5.724 -6.667 1.00 1.00 O ATOM 192 CB LYS A 15 0.696 -7.741 -6.046 1.00 1.00 C ATOM 193 CG LYS A 15 -0.497 -8.688 -6.248 1.00 1.00 C ATOM 194 CD LYS A 15 -0.070 -10.120 -5.933 1.00 1.00 C ATOM 195 CE LYS A 15 0.656 -10.160 -4.586 1.00 1.00 C ATOM 196 NZ LYS A 15 0.716 -11.560 -4.097 1.00 1.00 N ATOM 0 H LYS A 15 2.389 -5.956 -6.128 1.00 1.00 H new ATOM 0 HA LYS A 15 0.223 -6.665 -7.824 1.00 1.00 H new ATOM 0 HB2 LYS A 15 1.609 -8.210 -6.412 1.00 1.00 H new ATOM 0 HB3 LYS A 15 0.841 -7.547 -4.983 1.00 1.00 H new ATOM 0 HG2 LYS A 15 -1.323 -8.393 -5.601 1.00 1.00 H new ATOM 0 HG3 LYS A 15 -0.857 -8.622 -7.275 1.00 1.00 H new ATOM 0 HD2 LYS A 15 -0.943 -10.772 -5.905 1.00 1.00 H new ATOM 0 HD3 LYS A 15 0.584 -10.496 -6.720 1.00 1.00 H new ATOM 0 HE2 LYS A 15 1.663 -9.757 -4.692 1.00 1.00 H new ATOM 0 HE3 LYS A 15 0.136 -9.533 -3.862 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 1.209 -11.587 -3.182 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 -0.249 -11.929 -3.981 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 1.230 -12.146 -4.785 1.00 1.00 H new ATOM 210 N ALA A 16 -0.478 -5.003 -5.061 1.00 1.00 N ATOM 211 CA ALA A 16 -1.538 -4.255 -4.391 1.00 1.00 C ATOM 212 C ALA A 16 -2.242 -3.328 -5.379 1.00 1.00 C ATOM 213 O ALA A 16 -3.469 -3.221 -5.373 1.00 1.00 O ATOM 214 CB ALA A 16 -0.931 -3.412 -3.258 1.00 1.00 C ATOM 0 H ALA A 16 0.436 -4.945 -4.612 1.00 1.00 H new ATOM 0 HA ALA A 16 -2.263 -4.961 -3.986 1.00 1.00 H new ATOM 0 HB1 ALA A 16 -1.721 -2.853 -2.757 1.00 1.00 H new ATOM 0 HB2 ALA A 16 -0.439 -4.068 -2.540 1.00 1.00 H new ATOM 0 HB3 ALA A 16 -0.202 -2.716 -3.673 1.00 1.00 H new ATOM 220 N THR A 17 -1.461 -2.655 -6.216 1.00 1.00 N ATOM 221 CA THR A 17 -2.025 -1.737 -7.187 1.00 1.00 C ATOM 222 C THR A 17 -2.867 -2.479 -8.209 1.00 1.00 C ATOM 223 O THR A 17 -3.933 -2.007 -8.616 1.00 1.00 O ATOM 224 CB THR A 17 -0.896 -0.978 -7.907 1.00 1.00 C ATOM 225 OG1 THR A 17 0.062 -1.912 -8.386 1.00 1.00 O ATOM 226 CG2 THR A 17 -0.212 -0.010 -6.939 1.00 1.00 C ATOM 0 H THR A 17 -0.444 -2.729 -6.239 1.00 1.00 H new ATOM 0 HA THR A 17 -2.663 -1.030 -6.657 1.00 1.00 H new ATOM 0 HB THR A 17 -1.318 -0.414 -8.739 1.00 1.00 H new ATOM 0 HG1 THR A 17 -0.123 -2.795 -8.004 1.00 1.00 H new ATOM 0 HG21 THR A 17 0.585 0.522 -7.459 1.00 1.00 H new ATOM 0 HG22 THR A 17 -0.943 0.707 -6.565 1.00 1.00 H new ATOM 0 HG23 THR A 17 0.209 -0.568 -6.103 1.00 1.00 H new ATOM 234 N GLU A 18 -2.404 -3.655 -8.606 1.00 1.00 N ATOM 235 CA GLU A 18 -3.159 -4.454 -9.574 1.00 1.00 C ATOM 236 C GLU A 18 -4.493 -4.921 -8.966 1.00 1.00 C ATOM 237 O GLU A 18 -5.526 -4.977 -9.650 1.00 1.00 O ATOM 238 CB GLU A 18 -2.304 -5.658 -10.020 1.00 1.00 C ATOM 239 CG GLU A 18 -2.757 -6.945 -9.331 1.00 1.00 C ATOM 240 CD GLU A 18 -1.857 -8.098 -9.690 1.00 1.00 C ATOM 241 OE1 GLU A 18 -0.662 -7.888 -9.762 1.00 1.00 O ATOM 242 OE2 GLU A 18 -2.380 -9.182 -9.881 1.00 1.00 O ATOM 0 H GLU A 18 -1.531 -4.074 -8.285 1.00 1.00 H new ATOM 0 HA GLU A 18 -3.389 -3.842 -10.446 1.00 1.00 H new ATOM 0 HB2 GLU A 18 -2.375 -5.777 -11.101 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -1.256 -5.468 -9.789 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -2.757 -6.802 -8.250 1.00 1.00 H new ATOM 0 HG3 GLU A 18 -3.782 -7.175 -9.622 1.00 1.00 H new ATOM 249 N GLU A 19 -4.451 -5.290 -7.687 1.00 1.00 N ATOM 250 CA GLU A 19 -5.636 -5.772 -7.008 1.00 1.00 C ATOM 251 C GLU A 19 -6.640 -4.640 -6.878 1.00 1.00 C ATOM 252 O GLU A 19 -7.838 -4.835 -7.069 1.00 1.00 O ATOM 253 CB GLU A 19 -5.260 -6.311 -5.626 1.00 1.00 C ATOM 254 CG GLU A 19 -4.603 -7.689 -5.756 1.00 1.00 C ATOM 255 CD GLU A 19 -5.619 -8.713 -6.261 1.00 1.00 C ATOM 256 OE1 GLU A 19 -6.793 -8.381 -6.303 1.00 1.00 O ATOM 257 OE2 GLU A 19 -5.210 -9.813 -6.591 1.00 1.00 O ATOM 0 H GLU A 19 -3.611 -5.262 -7.109 1.00 1.00 H new ATOM 0 HA GLU A 19 -6.084 -6.580 -7.586 1.00 1.00 H new ATOM 0 HB2 GLU A 19 -4.577 -5.620 -5.132 1.00 1.00 H new ATOM 0 HB3 GLU A 19 -6.150 -6.382 -5.001 1.00 1.00 H new ATOM 0 HG2 GLU A 19 -3.759 -7.634 -6.443 1.00 1.00 H new ATOM 0 HG3 GLU A 19 -4.208 -8.004 -4.790 1.00 1.00 H new ATOM 264 N ASP A 20 -6.141 -3.451 -6.574 1.00 1.00 N ATOM 265 CA ASP A 20 -7.007 -2.287 -6.436 1.00 1.00 C ATOM 266 C ASP A 20 -7.783 -2.061 -7.732 1.00 1.00 C ATOM 267 O ASP A 20 -8.974 -1.747 -7.705 1.00 1.00 O ATOM 268 CB ASP A 20 -6.169 -1.049 -6.116 1.00 1.00 C ATOM 269 CG ASP A 20 -7.071 0.077 -5.617 1.00 1.00 C ATOM 270 OD1 ASP A 20 -7.536 -0.018 -4.494 1.00 1.00 O ATOM 271 OD2 ASP A 20 -7.286 1.016 -6.367 1.00 1.00 O ATOM 0 H ASP A 20 -5.150 -3.266 -6.419 1.00 1.00 H new ATOM 0 HA ASP A 20 -7.710 -2.463 -5.622 1.00 1.00 H new ATOM 0 HB2 ASP A 20 -5.423 -1.291 -5.359 1.00 1.00 H new ATOM 0 HB3 ASP A 20 -5.628 -0.726 -7.005 1.00 1.00 H new ATOM 276 N LYS A 21 -7.107 -2.242 -8.864 1.00 1.00 N ATOM 277 CA LYS A 21 -7.759 -2.070 -10.160 1.00 1.00 C ATOM 278 C LYS A 21 -8.845 -3.131 -10.340 1.00 1.00 C ATOM 279 O LYS A 21 -9.922 -2.850 -10.870 1.00 1.00 O ATOM 280 CB LYS A 21 -6.735 -2.211 -11.280 1.00 1.00 C ATOM 281 CG LYS A 21 -5.663 -1.130 -11.120 1.00 1.00 C ATOM 282 CD LYS A 21 -4.506 -1.394 -12.100 1.00 1.00 C ATOM 283 CE LYS A 21 -3.234 -0.715 -11.590 1.00 1.00 C ATOM 284 NZ LYS A 21 -2.281 -0.538 -12.720 1.00 1.00 N ATOM 0 H LYS A 21 -6.122 -2.504 -8.911 1.00 1.00 H new ATOM 0 HA LYS A 21 -8.207 -1.077 -10.198 1.00 1.00 H new ATOM 0 HB2 LYS A 21 -6.278 -3.200 -11.249 1.00 1.00 H new ATOM 0 HB3 LYS A 21 -7.223 -2.115 -12.250 1.00 1.00 H new ATOM 0 HG2 LYS A 21 -6.094 -0.147 -11.308 1.00 1.00 H new ATOM 0 HG3 LYS A 21 -5.290 -1.124 -10.096 1.00 1.00 H new ATOM 0 HD2 LYS A 21 -4.341 -2.467 -12.203 1.00 1.00 H new ATOM 0 HD3 LYS A 21 -4.761 -1.014 -13.089 1.00 1.00 H new ATOM 0 HE2 LYS A 21 -3.476 0.252 -11.149 1.00 1.00 H new ATOM 0 HE3 LYS A 21 -2.777 -1.317 -10.805 1.00 1.00 H new ATOM 0 HZ1 LYS A 21 -1.415 -0.076 -12.375 1.00 1.00 H new ATOM 0 HZ2 LYS A 21 -2.042 -1.467 -13.121 1.00 1.00 H new ATOM 0 HZ3 LYS A 21 -2.719 0.053 -13.455 1.00 1.00 H new ATOM 298 N ALA A 22 -8.551 -4.353 -9.890 1.00 1.00 N ATOM 299 CA ALA A 22 -9.514 -5.444 -10.000 1.00 1.00 C ATOM 300 C ALA A 22 -10.630 -5.283 -8.982 1.00 1.00 C ATOM 301 O ALA A 22 -11.420 -6.202 -8.771 1.00 1.00 O ATOM 302 CB ALA A 22 -8.813 -6.788 -9.787 1.00 1.00 C ATOM 0 H ALA A 22 -7.666 -4.607 -9.452 1.00 1.00 H new ATOM 0 HA ALA A 22 -9.947 -5.416 -11.000 1.00 1.00 H new ATOM 0 HB1 ALA A 22 -9.541 -7.595 -9.871 1.00 1.00 H new ATOM 0 HB2 ALA A 22 -8.038 -6.918 -10.542 1.00 1.00 H new ATOM 0 HB3 ALA A 22 -8.361 -6.809 -8.796 1.00 1.00 H new ATOM 308 N LYS A 23 -10.680 -4.112 -8.355 1.00 1.00 N ATOM 309 CA LYS A 23 -11.710 -3.826 -7.356 1.00 1.00 C ATOM 310 C LYS A 23 -11.520 -4.701 -6.126 1.00 1.00 C ATOM 311 O LYS A 23 -12.470 -5.001 -5.409 1.00 1.00 O ATOM 312 CB LYS A 23 -13.100 -4.076 -7.949 1.00 1.00 C ATOM 313 CG LYS A 23 -13.210 -3.385 -9.313 1.00 1.00 C ATOM 314 CD LYS A 23 -13.080 -1.872 -9.137 1.00 1.00 C ATOM 315 CE LYS A 23 -13.570 -1.167 -10.400 1.00 1.00 C ATOM 316 NZ LYS A 23 -13.520 0.307 -10.190 1.00 1.00 N ATOM 0 H LYS A 23 -10.024 -3.348 -8.518 1.00 1.00 H new ATOM 0 HA LYS A 23 -11.622 -2.780 -7.063 1.00 1.00 H new ATOM 0 HB2 LYS A 23 -13.273 -5.147 -8.058 1.00 1.00 H new ATOM 0 HB3 LYS A 23 -13.868 -3.696 -7.275 1.00 1.00 H new ATOM 0 HG2 LYS A 23 -12.430 -3.751 -9.981 1.00 1.00 H new ATOM 0 HG3 LYS A 23 -14.166 -3.626 -9.777 1.00 1.00 H new ATOM 0 HD2 LYS A 23 -13.662 -1.544 -8.276 1.00 1.00 H new ATOM 0 HD3 LYS A 23 -12.042 -1.606 -8.939 1.00 1.00 H new ATOM 0 HE2 LYS A 23 -12.949 -1.446 -11.251 1.00 1.00 H new ATOM 0 HE3 LYS A 23 -14.588 -1.479 -10.633 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 -13.853 0.791 -11.048 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 -14.130 0.564 -9.388 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 -12.542 0.596 -9.987 1.00 1.00 H new ATOM 330 N ASN A 24 -10.280 -5.111 -5.887 1.00 1.00 N ATOM 331 CA ASN A 24 -9.974 -5.954 -4.733 1.00 1.00 C ATOM 332 C ASN A 24 -9.447 -5.099 -3.577 1.00 1.00 C ATOM 333 O ASN A 24 -8.291 -5.189 -3.194 1.00 1.00 O ATOM 334 CB ASN A 24 -8.937 -7.025 -5.135 1.00 1.00 C ATOM 335 CG ASN A 24 -9.555 -8.414 -5.119 1.00 1.00 C ATOM 336 OD1 ASN A 24 -10.730 -8.572 -5.429 1.00 1.00 O ATOM 337 ND2 ASN A 24 -8.827 -9.429 -4.749 1.00 1.00 N ATOM 0 H ASN A 24 -9.476 -4.877 -6.469 1.00 1.00 H new ATOM 0 HA ASN A 24 -10.884 -6.452 -4.400 1.00 1.00 H new ATOM 0 HB2 ASN A 24 -8.550 -6.806 -6.130 1.00 1.00 H new ATOM 0 HB3 ASN A 24 -8.090 -6.992 -4.450 1.00 1.00 H new ATOM 0 HD21 ASN A 24 -9.234 -10.364 -4.716 1.00 1.00 H new ATOM 0 HD22 ASN A 24 -7.850 -9.289 -4.493 1.00 1.00 H new ATOM 344 N TYR A 25 -10.300 -4.269 -3.027 1.00 1.00 N ATOM 345 CA TYR A 25 -9.906 -3.408 -1.923 1.00 1.00 C ATOM 346 C TYR A 25 -9.357 -4.236 -0.767 1.00 1.00 C ATOM 347 O TYR A 25 -8.341 -3.882 -0.177 1.00 1.00 O ATOM 348 CB TYR A 25 -11.110 -2.606 -1.438 1.00 1.00 C ATOM 349 CG TYR A 25 -11.920 -2.142 -2.624 1.00 1.00 C ATOM 350 CD1 TYR A 25 -11.280 -1.568 -3.731 1.00 1.00 C ATOM 351 CD2 TYR A 25 -13.320 -2.291 -2.618 1.00 1.00 C ATOM 352 CE1 TYR A 25 -12.030 -1.141 -4.825 1.00 1.00 C ATOM 353 CE2 TYR A 25 -14.070 -1.863 -3.720 1.00 1.00 C ATOM 354 CZ TYR A 25 -13.430 -1.289 -4.825 1.00 1.00 C ATOM 355 OH TYR A 25 -14.170 -0.862 -5.909 1.00 1.00 O ATOM 0 H TYR A 25 -11.271 -4.167 -3.321 1.00 1.00 H new ATOM 0 HA TYR A 25 -9.128 -2.731 -2.276 1.00 1.00 H new ATOM 0 HB2 TYR A 25 -11.727 -3.219 -0.781 1.00 1.00 H new ATOM 0 HB3 TYR A 25 -10.777 -1.748 -0.854 1.00 1.00 H new ATOM 0 HD1 TYR A 25 -10.206 -1.457 -3.736 1.00 1.00 H new ATOM 0 HD2 TYR A 25 -13.814 -2.734 -1.766 1.00 1.00 H new ATOM 0 HE1 TYR A 25 -11.536 -0.695 -5.676 1.00 1.00 H new ATOM 0 HE2 TYR A 25 -15.144 -1.976 -3.718 1.00 1.00 H new ATOM 0 HH TYR A 25 -15.120 -1.039 -5.747 1.00 1.00 H new ATOM 365 N GLU A 26 -10.030 -5.332 -0.448 1.00 1.00 N ATOM 366 CA GLU A 26 -9.585 -6.184 0.650 1.00 1.00 C ATOM 367 C GLU A 26 -8.180 -6.720 0.400 1.00 1.00 C ATOM 368 O GLU A 26 -7.279 -6.560 1.237 1.00 1.00 O ATOM 369 CB GLU A 26 -10.560 -7.362 0.813 1.00 1.00 C ATOM 370 CG GLU A 26 -11.790 -6.904 1.578 1.00 1.00 C ATOM 371 CD GLU A 26 -12.800 -8.051 1.692 1.00 1.00 C ATOM 372 OE1 GLU A 26 -12.530 -9.105 1.140 1.00 1.00 O ATOM 373 OE2 GLU A 26 -13.820 -7.857 2.325 1.00 1.00 O ATOM 0 H GLU A 26 -10.874 -5.651 -0.924 1.00 1.00 H new ATOM 0 HA GLU A 26 -9.566 -5.585 1.560 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -10.850 -7.745 -0.165 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -10.073 -8.180 1.344 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -11.503 -6.563 2.572 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -12.248 -6.055 1.070 1.00 1.00 H new ATOM 380 N GLU A 27 -7.991 -7.353 -0.750 1.00 1.00 N ATOM 381 CA GLU A 27 -6.689 -7.909 -1.083 1.00 1.00 C ATOM 382 C GLU A 27 -5.657 -6.799 -1.248 1.00 1.00 C ATOM 383 O GLU A 27 -4.553 -6.878 -0.715 1.00 1.00 O ATOM 384 CB GLU A 27 -6.789 -8.733 -2.375 1.00 1.00 C ATOM 385 CG GLU A 27 -5.636 -9.733 -2.462 1.00 1.00 C ATOM 386 CD GLU A 27 -5.912 -10.760 -3.548 1.00 1.00 C ATOM 387 OE1 GLU A 27 -7.050 -10.860 -3.968 1.00 1.00 O ATOM 388 OE2 GLU A 27 -4.979 -11.440 -3.936 1.00 1.00 O ATOM 0 H GLU A 27 -8.712 -7.493 -1.458 1.00 1.00 H new ATOM 0 HA GLU A 27 -6.368 -8.558 -0.268 1.00 1.00 H new ATOM 0 HB2 GLU A 27 -7.741 -9.263 -2.403 1.00 1.00 H new ATOM 0 HB3 GLU A 27 -6.769 -8.069 -3.239 1.00 1.00 H new ATOM 0 HG2 GLU A 27 -4.705 -9.208 -2.676 1.00 1.00 H new ATOM 0 HG3 GLU A 27 -5.506 -10.234 -1.503 1.00 1.00 H new ATOM 395 N ALA A 28 -6.027 -5.760 -1.987 1.00 1.00 N ATOM 396 CA ALA A 28 -5.132 -4.636 -2.215 1.00 1.00 C ATOM 397 C ALA A 28 -4.703 -4.031 -0.886 1.00 1.00 C ATOM 398 O ALA A 28 -3.526 -3.743 -0.696 1.00 1.00 O ATOM 399 CB ALA A 28 -5.839 -3.569 -3.055 1.00 1.00 C ATOM 0 H ALA A 28 -6.938 -5.674 -2.437 1.00 1.00 H new ATOM 0 HA ALA A 28 -4.251 -4.993 -2.748 1.00 1.00 H new ATOM 0 HB1 ALA A 28 -5.163 -2.730 -3.222 1.00 1.00 H new ATOM 0 HB2 ALA A 28 -6.131 -3.996 -4.014 1.00 1.00 H new ATOM 0 HB3 ALA A 28 -6.727 -3.220 -2.528 1.00 1.00 H new ATOM 405 N LEU A 29 -5.652 -3.846 0.020 1.00 1.00 N ATOM 406 CA LEU A 29 -5.342 -3.266 1.318 1.00 1.00 C ATOM 407 C LEU A 29 -4.301 -4.096 2.050 1.00 1.00 C ATOM 408 O LEU A 29 -3.338 -3.551 2.594 1.00 1.00 O ATOM 409 CB LEU A 29 -6.623 -3.205 2.169 1.00 1.00 C ATOM 410 CG LEU A 29 -6.295 -2.792 3.612 1.00 1.00 C ATOM 411 CD1 LEU A 29 -5.888 -1.335 3.660 1.00 1.00 C ATOM 412 CD2 LEU A 29 -7.502 -3.025 4.503 1.00 1.00 C ATOM 0 H LEU A 29 -6.634 -4.086 -0.117 1.00 1.00 H new ATOM 0 HA LEU A 29 -4.943 -2.264 1.160 1.00 1.00 H new ATOM 0 HB2 LEU A 29 -7.323 -2.493 1.732 1.00 1.00 H new ATOM 0 HB3 LEU A 29 -7.114 -4.178 2.166 1.00 1.00 H new ATOM 0 HG LEU A 29 -5.464 -3.399 3.972 1.00 1.00 H new ATOM 0 HD11 LEU A 29 -5.658 -1.055 4.688 1.00 1.00 H new ATOM 0 HD12 LEU A 29 -5.007 -1.183 3.037 1.00 1.00 H new ATOM 0 HD13 LEU A 29 -6.706 -0.716 3.290 1.00 1.00 H new ATOM 0 HD21 LEU A 29 -7.262 -2.730 5.525 1.00 1.00 H new ATOM 0 HD22 LEU A 29 -8.341 -2.431 4.141 1.00 1.00 H new ATOM 0 HD23 LEU A 29 -7.770 -4.081 4.484 1.00 1.00 H new ATOM 424 N ARG A 30 -4.505 -5.405 2.082 1.00 1.00 N ATOM 425 CA ARG A 30 -3.566 -6.281 2.779 1.00 1.00 C ATOM 426 C ARG A 30 -2.161 -6.128 2.205 1.00 1.00 C ATOM 427 O ARG A 30 -1.173 -6.062 2.948 1.00 1.00 O ATOM 428 CB ARG A 30 -4.026 -7.731 2.642 1.00 1.00 C ATOM 429 CG ARG A 30 -5.276 -7.964 3.492 1.00 1.00 C ATOM 430 CD ARG A 30 -5.735 -9.417 3.343 1.00 1.00 C ATOM 431 NE ARG A 30 -6.924 -9.655 4.155 1.00 1.00 N ATOM 432 CZ ARG A 30 -7.369 -10.880 4.377 1.00 1.00 C ATOM 433 NH1 ARG A 30 -6.742 -11.910 3.865 1.00 1.00 N ATOM 434 NH2 ARG A 30 -8.435 -11.070 5.107 1.00 1.00 N ATOM 0 H ARG A 30 -5.295 -5.880 1.644 1.00 1.00 H new ATOM 0 HA ARG A 30 -3.541 -6.002 3.832 1.00 1.00 H new ATOM 0 HB2 ARG A 30 -4.239 -7.957 1.597 1.00 1.00 H new ATOM 0 HB3 ARG A 30 -3.230 -8.405 2.958 1.00 1.00 H new ATOM 0 HG2 ARG A 30 -5.063 -7.745 4.538 1.00 1.00 H new ATOM 0 HG3 ARG A 30 -6.071 -7.287 3.180 1.00 1.00 H new ATOM 0 HD2 ARG A 30 -5.951 -9.632 2.297 1.00 1.00 H new ATOM 0 HD3 ARG A 30 -4.936 -10.092 3.649 1.00 1.00 H new ATOM 0 HE ARG A 30 -7.421 -8.861 4.559 1.00 1.00 H new ATOM 0 HH11 ARG A 30 -5.909 -11.768 3.294 1.00 1.00 H new ATOM 0 HH12 ARG A 30 -7.087 -12.854 4.037 1.00 1.00 H new ATOM 0 HH21 ARG A 30 -8.927 -10.272 5.508 1.00 1.00 H new ATOM 0 HH22 ARG A 30 -8.775 -12.017 5.276 1.00 1.00 H new ATOM 448 N LEU A 31 -2.075 -6.069 0.881 1.00 1.00 N ATOM 449 CA LEU A 31 -0.785 -5.921 0.217 1.00 1.00 C ATOM 450 C LEU A 31 -0.188 -4.550 0.505 1.00 1.00 C ATOM 451 O LEU A 31 1.023 -4.415 0.695 1.00 1.00 O ATOM 452 CB LEU A 31 -0.954 -6.109 -1.290 1.00 1.00 C ATOM 453 CG LEU A 31 -1.528 -7.499 -1.569 1.00 1.00 C ATOM 454 CD1 LEU A 31 -1.922 -7.596 -3.044 1.00 1.00 C ATOM 455 CD2 LEU A 31 -0.498 -8.580 -1.238 1.00 1.00 C ATOM 0 H LEU A 31 -2.875 -6.121 0.251 1.00 1.00 H new ATOM 0 HA LEU A 31 -0.106 -6.682 0.602 1.00 1.00 H new ATOM 0 HB2 LEU A 31 -1.617 -5.343 -1.691 1.00 1.00 H new ATOM 0 HB3 LEU A 31 0.007 -5.993 -1.792 1.00 1.00 H new ATOM 0 HG LEU A 31 -2.406 -7.653 -0.942 1.00 1.00 H new ATOM 0 HD11 LEU A 31 -2.332 -8.586 -3.247 1.00 1.00 H new ATOM 0 HD12 LEU A 31 -2.673 -6.839 -3.271 1.00 1.00 H new ATOM 0 HD13 LEU A 31 -1.043 -7.433 -3.667 1.00 1.00 H new ATOM 0 HD21 LEU A 31 -0.923 -9.563 -1.442 1.00 1.00 H new ATOM 0 HD22 LEU A 31 0.392 -8.435 -1.851 1.00 1.00 H new ATOM 0 HD23 LEU A 31 -0.227 -8.514 -0.184 1.00 1.00 H new ATOM 467 N TYR A 32 -1.039 -3.531 0.525 1.00 1.00 N ATOM 468 CA TYR A 32 -0.568 -2.177 0.778 1.00 1.00 C ATOM 469 C TYR A 32 0.111 -2.075 2.140 1.00 1.00 C ATOM 470 O TYR A 32 1.220 -1.549 2.253 1.00 1.00 O ATOM 471 CB TYR A 32 -1.760 -1.197 0.730 1.00 1.00 C ATOM 472 CG TYR A 32 -1.974 -0.699 -0.683 1.00 1.00 C ATOM 473 CD1 TYR A 32 -0.961 0.040 -1.315 1.00 1.00 C ATOM 474 CD2 TYR A 32 -3.170 -0.963 -1.354 1.00 1.00 C ATOM 475 CE1 TYR A 32 -1.141 0.504 -2.620 1.00 1.00 C ATOM 476 CE2 TYR A 32 -3.351 -0.497 -2.658 1.00 1.00 C ATOM 477 CZ TYR A 32 -2.336 0.233 -3.291 1.00 1.00 C ATOM 478 OH TYR A 32 -2.517 0.680 -4.579 1.00 1.00 O ATOM 0 H TYR A 32 -2.044 -3.615 0.371 1.00 1.00 H new ATOM 0 HA TYR A 32 0.160 -1.921 0.008 1.00 1.00 H new ATOM 0 HB2 TYR A 32 -2.662 -1.693 1.089 1.00 1.00 H new ATOM 0 HB3 TYR A 32 -1.574 -0.354 1.396 1.00 1.00 H new ATOM 0 HD1 TYR A 32 -0.040 0.250 -0.791 1.00 1.00 H new ATOM 0 HD2 TYR A 32 -3.952 -1.526 -0.866 1.00 1.00 H new ATOM 0 HE1 TYR A 32 -0.361 1.069 -3.108 1.00 1.00 H new ATOM 0 HE2 TYR A 32 -4.275 -0.700 -3.179 1.00 1.00 H new ATOM 0 HH TYR A 32 -3.469 0.850 -4.736 1.00 1.00 H new ATOM 488 N GLN A 33 -0.564 -2.574 3.165 1.00 1.00 N ATOM 489 CA GLN A 33 -0.020 -2.521 4.516 1.00 1.00 C ATOM 490 C GLN A 33 1.269 -3.326 4.609 1.00 1.00 C ATOM 491 O GLN A 33 2.252 -2.888 5.219 1.00 1.00 O ATOM 492 CB GLN A 33 -1.046 -3.073 5.510 1.00 1.00 C ATOM 493 CG GLN A 33 -2.270 -2.157 5.549 1.00 1.00 C ATOM 494 CD GLN A 33 -3.299 -2.701 6.534 1.00 1.00 C ATOM 495 OE1 GLN A 33 -3.064 -3.724 7.177 1.00 1.00 O ATOM 496 NE2 GLN A 33 -4.432 -2.072 6.695 1.00 1.00 N ATOM 0 H GLN A 33 -1.480 -3.016 3.090 1.00 1.00 H new ATOM 0 HA GLN A 33 0.201 -1.482 4.760 1.00 1.00 H new ATOM 0 HB2 GLN A 33 -1.343 -4.081 5.219 1.00 1.00 H new ATOM 0 HB3 GLN A 33 -0.602 -3.146 6.503 1.00 1.00 H new ATOM 0 HG2 GLN A 33 -1.972 -1.150 5.842 1.00 1.00 H new ATOM 0 HG3 GLN A 33 -2.710 -2.083 4.555 1.00 1.00 H new ATOM 0 HE21 GLN A 33 -4.625 -1.224 6.161 1.00 1.00 H new ATOM 0 HE22 GLN A 33 -5.124 -2.428 7.354 1.00 1.00 H new ATOM 505 N HIS A 34 1.266 -4.506 3.997 1.00 1.00 N ATOM 506 CA HIS A 34 2.450 -5.360 4.024 1.00 1.00 C ATOM 507 C HIS A 34 3.629 -4.668 3.337 1.00 1.00 C ATOM 508 O HIS A 34 4.732 -4.614 3.876 1.00 1.00 O ATOM 509 CB HIS A 34 2.141 -6.695 3.315 1.00 1.00 C ATOM 510 CG HIS A 34 1.661 -7.709 4.316 1.00 1.00 C ATOM 511 ND1 HIS A 34 0.399 -8.271 4.253 1.00 1.00 N ATOM 512 CD2 HIS A 34 2.267 -8.259 5.414 1.00 1.00 C ATOM 513 CE1 HIS A 34 0.284 -9.122 5.288 1.00 1.00 C ATOM 514 NE2 HIS A 34 1.395 -9.153 6.030 1.00 1.00 N ATOM 0 H HIS A 34 0.472 -4.889 3.484 1.00 1.00 H new ATOM 0 HA HIS A 34 2.719 -5.553 5.062 1.00 1.00 H new ATOM 0 HB2 HIS A 34 1.382 -6.542 2.548 1.00 1.00 H new ATOM 0 HB3 HIS A 34 3.034 -7.064 2.811 1.00 1.00 H new ATOM 0 HD1 HIS A 34 -0.314 -8.076 3.550 1.00 1.00 H new ATOM 0 HD2 HIS A 34 3.268 -8.034 5.751 1.00 1.00 H new ATOM 0 HE1 HIS A 34 -0.599 -9.709 5.494 1.00 1.00 H new ATOM 523 N ALA A 35 3.385 -4.148 2.145 1.00 1.00 N ATOM 524 CA ALA A 35 4.434 -3.477 1.393 1.00 1.00 C ATOM 525 C ALA A 35 5.054 -2.355 2.214 1.00 1.00 C ATOM 526 O ALA A 35 6.277 -2.219 2.274 1.00 1.00 O ATOM 527 CB ALA A 35 3.862 -2.911 0.097 1.00 1.00 C ATOM 0 H ALA A 35 2.478 -4.177 1.680 1.00 1.00 H new ATOM 0 HA ALA A 35 5.210 -4.206 1.160 1.00 1.00 H new ATOM 0 HB1 ALA A 35 4.653 -2.410 -0.461 1.00 1.00 H new ATOM 0 HB2 ALA A 35 3.451 -3.722 -0.504 1.00 1.00 H new ATOM 0 HB3 ALA A 35 3.073 -2.196 0.329 1.00 1.00 H new ATOM 533 N VAL A 36 4.203 -1.555 2.846 1.00 1.00 N ATOM 534 CA VAL A 36 4.682 -0.444 3.660 1.00 1.00 C ATOM 535 C VAL A 36 5.608 -0.952 4.759 1.00 1.00 C ATOM 536 O VAL A 36 6.665 -0.371 5.008 1.00 1.00 O ATOM 537 CB VAL A 36 3.489 0.300 4.280 1.00 1.00 C ATOM 538 CG1 VAL A 36 3.989 1.233 5.395 1.00 1.00 C ATOM 539 CG2 VAL A 36 2.775 1.122 3.191 1.00 1.00 C ATOM 0 H VAL A 36 3.188 -1.653 2.812 1.00 1.00 H new ATOM 0 HA VAL A 36 5.241 0.242 3.024 1.00 1.00 H new ATOM 0 HB VAL A 36 2.789 -0.420 4.703 1.00 1.00 H new ATOM 0 HG11 VAL A 36 3.143 1.761 5.835 1.00 1.00 H new ATOM 0 HG12 VAL A 36 4.489 0.645 6.164 1.00 1.00 H new ATOM 0 HG13 VAL A 36 4.690 1.956 4.978 1.00 1.00 H new ATOM 0 HG21 VAL A 36 1.929 1.650 3.630 1.00 1.00 H new ATOM 0 HG22 VAL A 36 3.472 1.844 2.765 1.00 1.00 H new ATOM 0 HG23 VAL A 36 2.419 0.455 2.406 1.00 1.00 H new ATOM 549 N GLU A 37 5.203 -2.028 5.416 1.00 1.00 N ATOM 550 CA GLU A 37 6.012 -2.593 6.489 1.00 1.00 C ATOM 551 C GLU A 37 7.416 -2.917 5.985 1.00 1.00 C ATOM 552 O GLU A 37 8.412 -2.582 6.627 1.00 1.00 O ATOM 553 CB GLU A 37 5.351 -3.874 7.010 1.00 1.00 C ATOM 554 CG GLU A 37 5.822 -4.154 8.439 1.00 1.00 C ATOM 555 CD GLU A 37 5.194 -3.149 9.400 1.00 1.00 C ATOM 556 OE1 GLU A 37 4.199 -2.548 9.029 1.00 1.00 O ATOM 557 OE2 GLU A 37 5.719 -2.993 10.490 1.00 1.00 O ATOM 0 H GLU A 37 4.331 -2.523 5.230 1.00 1.00 H new ATOM 0 HA GLU A 37 6.086 -1.861 7.294 1.00 1.00 H new ATOM 0 HB2 GLU A 37 4.266 -3.769 6.988 1.00 1.00 H new ATOM 0 HB3 GLU A 37 5.603 -4.714 6.363 1.00 1.00 H new ATOM 0 HG2 GLU A 37 5.548 -5.168 8.729 1.00 1.00 H new ATOM 0 HG3 GLU A 37 6.909 -4.090 8.492 1.00 1.00 H new ATOM 564 N TYR A 38 7.485 -3.571 4.832 1.00 1.00 N ATOM 565 CA TYR A 38 8.778 -3.932 4.254 1.00 1.00 C ATOM 566 C TYR A 38 9.575 -2.680 3.900 1.00 1.00 C ATOM 567 O TYR A 38 10.793 -2.631 4.081 1.00 1.00 O ATOM 568 CB TYR A 38 8.576 -4.791 3.001 1.00 1.00 C ATOM 569 CG TYR A 38 8.302 -6.225 3.395 1.00 1.00 C ATOM 570 CD1 TYR A 38 7.208 -6.530 4.205 1.00 1.00 C ATOM 571 CD2 TYR A 38 9.151 -7.248 2.959 1.00 1.00 C ATOM 572 CE1 TYR A 38 6.953 -7.850 4.578 1.00 1.00 C ATOM 573 CE2 TYR A 38 8.900 -8.570 3.331 1.00 1.00 C ATOM 574 CZ TYR A 38 7.799 -8.872 4.141 1.00 1.00 C ATOM 575 OH TYR A 38 7.553 -10.170 4.510 1.00 1.00 O ATOM 0 H TYR A 38 6.675 -3.860 4.284 1.00 1.00 H new ATOM 0 HA TYR A 38 9.337 -4.505 4.994 1.00 1.00 H new ATOM 0 HB2 TYR A 38 7.745 -4.402 2.413 1.00 1.00 H new ATOM 0 HB3 TYR A 38 9.463 -4.742 2.370 1.00 1.00 H new ATOM 0 HD1 TYR A 38 6.555 -5.740 4.545 1.00 1.00 H new ATOM 0 HD2 TYR A 38 10.001 -7.015 2.335 1.00 1.00 H new ATOM 0 HE1 TYR A 38 6.103 -8.081 5.203 1.00 1.00 H new ATOM 0 HE2 TYR A 38 9.555 -9.360 2.994 1.00 1.00 H new ATOM 0 HH TYR A 38 8.235 -10.756 4.120 1.00 1.00 H new ATOM 585 N PHE A 39 8.887 -1.670 3.387 1.00 1.00 N ATOM 586 CA PHE A 39 9.555 -0.428 3.011 1.00 1.00 C ATOM 587 C PHE A 39 10.202 0.228 4.234 1.00 1.00 C ATOM 588 O PHE A 39 11.388 0.587 4.212 1.00 1.00 O ATOM 589 CB PHE A 39 8.530 0.539 2.381 1.00 1.00 C ATOM 590 CG PHE A 39 8.403 0.267 0.899 1.00 1.00 C ATOM 591 CD1 PHE A 39 9.523 0.426 0.068 1.00 1.00 C ATOM 592 CD2 PHE A 39 7.179 -0.140 0.355 1.00 1.00 C ATOM 593 CE1 PHE A 39 9.419 0.172 -1.298 1.00 1.00 C ATOM 594 CE2 PHE A 39 7.076 -0.392 -1.015 1.00 1.00 C ATOM 595 CZ PHE A 39 8.197 -0.237 -1.840 1.00 1.00 C ATOM 0 H PHE A 39 7.880 -1.682 3.222 1.00 1.00 H new ATOM 0 HA PHE A 39 10.337 -0.656 2.286 1.00 1.00 H new ATOM 0 HB2 PHE A 39 7.561 0.420 2.865 1.00 1.00 H new ATOM 0 HB3 PHE A 39 8.843 1.570 2.544 1.00 1.00 H new ATOM 0 HD1 PHE A 39 10.466 0.745 0.488 1.00 1.00 H new ATOM 0 HD2 PHE A 39 6.316 -0.259 0.993 1.00 1.00 H new ATOM 0 HE1 PHE A 39 10.281 0.291 -1.937 1.00 1.00 H new ATOM 0 HE2 PHE A 39 6.133 -0.706 -1.438 1.00 1.00 H new ATOM 0 HZ PHE A 39 8.117 -0.434 -2.899 1.00 1.00 H new ATOM 605 N LEU A 40 9.419 0.374 5.291 1.00 1.00 N ATOM 606 CA LEU A 40 9.912 0.983 6.516 1.00 1.00 C ATOM 607 C LEU A 40 11.038 0.145 7.092 1.00 1.00 C ATOM 608 O LEU A 40 12.035 0.674 7.548 1.00 1.00 O ATOM 609 CB LEU A 40 8.783 1.094 7.542 1.00 1.00 C ATOM 610 CG LEU A 40 7.697 2.038 7.009 1.00 1.00 C ATOM 611 CD1 LEU A 40 6.427 1.875 7.847 1.00 1.00 C ATOM 612 CD2 LEU A 40 8.175 3.497 7.081 1.00 1.00 C ATOM 0 H LEU A 40 8.443 0.080 5.326 1.00 1.00 H new ATOM 0 HA LEU A 40 10.284 1.981 6.285 1.00 1.00 H new ATOM 0 HB2 LEU A 40 8.359 0.110 7.740 1.00 1.00 H new ATOM 0 HB3 LEU A 40 9.173 1.469 8.488 1.00 1.00 H new ATOM 0 HG LEU A 40 7.489 1.787 5.969 1.00 1.00 H new ATOM 0 HD11 LEU A 40 5.654 2.545 7.470 1.00 1.00 H new ATOM 0 HD12 LEU A 40 6.078 0.845 7.782 1.00 1.00 H new ATOM 0 HD13 LEU A 40 6.643 2.119 8.887 1.00 1.00 H new ATOM 0 HD21 LEU A 40 7.394 4.155 6.700 1.00 1.00 H new ATOM 0 HD22 LEU A 40 8.395 3.757 8.116 1.00 1.00 H new ATOM 0 HD23 LEU A 40 9.075 3.615 6.478 1.00 1.00 H new ATOM 624 N HIS A 41 10.874 -1.164 7.053 1.00 1.00 N ATOM 625 CA HIS A 41 11.898 -2.067 7.576 1.00 1.00 C ATOM 626 C HIS A 41 13.171 -1.999 6.742 1.00 1.00 C ATOM 627 O HIS A 41 14.254 -2.254 7.228 1.00 1.00 O ATOM 628 CB HIS A 41 11.366 -3.507 7.579 1.00 1.00 C ATOM 629 CG HIS A 41 12.216 -4.361 8.485 1.00 1.00 C ATOM 630 ND1 HIS A 41 13.307 -5.077 8.016 1.00 1.00 N ATOM 631 CD2 HIS A 41 12.148 -4.621 9.832 1.00 1.00 C ATOM 632 CE1 HIS A 41 13.845 -5.728 9.064 1.00 1.00 C ATOM 633 NE2 HIS A 41 13.178 -5.486 10.194 1.00 1.00 N ATOM 0 H HIS A 41 10.051 -1.629 6.669 1.00 1.00 H new ATOM 0 HA HIS A 41 12.136 -1.756 8.593 1.00 1.00 H new ATOM 0 HB2 HIS A 41 10.330 -3.521 7.917 1.00 1.00 H new ATOM 0 HB3 HIS A 41 11.377 -3.911 6.567 1.00 1.00 H new ATOM 0 HD2 HIS A 41 11.409 -4.216 10.507 1.00 1.00 H new ATOM 0 HE1 HIS A 41 14.712 -6.369 8.998 1.00 1.00 H new ATOM 0 HE2 HIS A 41 13.379 -5.855 11.123 1.00 1.00 H new ATOM 642 N ALA A 42 13.028 -1.684 5.474 1.00 1.00 N ATOM 643 CA ALA A 42 14.171 -1.619 4.584 1.00 1.00 C ATOM 644 C ALA A 42 15.063 -0.429 4.885 1.00 1.00 C ATOM 645 O ALA A 42 16.260 -0.566 5.009 1.00 1.00 O ATOM 646 CB ALA A 42 13.701 -1.496 3.129 1.00 1.00 C ATOM 0 H ALA A 42 12.133 -1.469 5.034 1.00 1.00 H new ATOM 0 HA ALA A 42 14.739 -2.537 4.737 1.00 1.00 H new ATOM 0 HB1 ALA A 42 14.568 -1.448 2.470 1.00 1.00 H new ATOM 0 HB2 ALA A 42 13.094 -2.363 2.868 1.00 1.00 H new ATOM 0 HB3 ALA A 42 13.107 -0.589 3.014 1.00 1.00 H new ATOM 652 N ILE A 43 14.461 0.730 5.040 1.00 1.00 N ATOM 653 CA ILE A 43 15.231 1.947 5.326 1.00 1.00 C ATOM 654 C ILE A 43 15.986 1.860 6.640 1.00 1.00 C ATOM 655 O ILE A 43 17.049 2.468 6.803 1.00 1.00 O ATOM 656 CB ILE A 43 14.286 3.152 5.352 1.00 1.00 C ATOM 657 CG1 ILE A 43 13.021 2.800 6.138 1.00 1.00 C ATOM 658 CG2 ILE A 43 13.905 3.544 3.930 1.00 1.00 C ATOM 659 CD1 ILE A 43 12.094 4.015 6.208 1.00 1.00 C ATOM 0 H ILE A 43 13.452 0.868 4.976 1.00 1.00 H new ATOM 0 HA ILE A 43 15.972 2.061 4.535 1.00 1.00 H new ATOM 0 HB ILE A 43 14.792 3.989 5.833 1.00 1.00 H new ATOM 0 HG12 ILE A 43 12.506 1.966 5.660 1.00 1.00 H new ATOM 0 HG13 ILE A 43 13.286 2.476 7.144 1.00 1.00 H new ATOM 0 HG21 ILE A 43 13.233 4.402 3.957 1.00 1.00 H new ATOM 0 HG22 ILE A 43 14.804 3.805 3.371 1.00 1.00 H new ATOM 0 HG23 ILE A 43 13.405 2.706 3.443 1.00 1.00 H new ATOM 0 HD11 ILE A 43 11.196 3.756 6.769 1.00 1.00 H new ATOM 0 HD12 ILE A 43 12.608 4.837 6.706 1.00 1.00 H new ATOM 0 HD13 ILE A 43 11.816 4.319 5.199 1.00 1.00 H new ATOM 671 N LYS A 44 15.429 1.120 7.585 1.00 1.00 N ATOM 672 CA LYS A 44 16.075 0.966 8.891 1.00 1.00 C ATOM 673 C LYS A 44 17.104 -0.159 8.925 1.00 1.00 C ATOM 674 O LYS A 44 18.205 -0.009 9.463 1.00 1.00 O ATOM 675 CB LYS A 44 15.021 0.691 9.970 1.00 1.00 C ATOM 676 CG LYS A 44 13.694 1.254 9.531 1.00 1.00 C ATOM 677 CD LYS A 44 12.631 1.058 10.612 1.00 1.00 C ATOM 678 CE LYS A 44 12.772 2.158 11.665 1.00 1.00 C ATOM 679 NZ LYS A 44 11.625 2.098 12.603 1.00 1.00 N ATOM 0 H LYS A 44 14.545 0.621 7.482 1.00 1.00 H new ATOM 0 HA LYS A 44 16.598 1.903 9.082 1.00 1.00 H new ATOM 0 HB2 LYS A 44 14.934 -0.382 10.143 1.00 1.00 H new ATOM 0 HB3 LYS A 44 15.325 1.143 10.914 1.00 1.00 H new ATOM 0 HG2 LYS A 44 13.801 2.316 9.309 1.00 1.00 H new ATOM 0 HG3 LYS A 44 13.375 0.767 8.610 1.00 1.00 H new ATOM 0 HD2 LYS A 44 11.636 1.088 10.169 1.00 1.00 H new ATOM 0 HD3 LYS A 44 12.744 0.078 11.076 1.00 1.00 H new ATOM 0 HE2 LYS A 44 13.708 2.036 12.210 1.00 1.00 H new ATOM 0 HE3 LYS A 44 12.810 3.135 11.183 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 11.722 2.847 13.318 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 10.739 2.235 12.077 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 11.609 1.170 13.073 1.00 1.00 H new ATOM 802 N ALA A 52 17.004 8.524 -1.133 1.00 1.00 N ATOM 803 CA ALA A 52 16.222 7.301 -1.271 1.00 1.00 C ATOM 804 C ALA A 52 15.260 7.171 -0.093 1.00 1.00 C ATOM 805 O ALA A 52 14.077 6.955 -0.272 1.00 1.00 O ATOM 806 CB ALA A 52 17.159 6.087 -1.326 1.00 1.00 C ATOM 0 HA ALA A 52 15.647 7.343 -2.196 1.00 1.00 H new ATOM 0 HB1 ALA A 52 16.569 5.176 -1.429 1.00 1.00 H new ATOM 0 HB2 ALA A 52 17.830 6.183 -2.180 1.00 1.00 H new ATOM 0 HB3 ALA A 52 17.745 6.038 -0.408 1.00 1.00 H new ATOM 812 N LYS A 53 15.778 7.311 1.115 1.00 1.00 N ATOM 813 CA LYS A 53 14.937 7.198 2.300 1.00 1.00 C ATOM 814 C LYS A 53 13.713 8.088 2.160 1.00 1.00 C ATOM 815 O LYS A 53 12.589 7.636 2.375 1.00 1.00 O ATOM 816 CB LYS A 53 15.748 7.608 3.550 1.00 1.00 C ATOM 817 CG LYS A 53 16.157 6.363 4.349 1.00 1.00 C ATOM 818 CD LYS A 53 17.271 5.612 3.599 1.00 1.00 C ATOM 819 CE LYS A 53 18.631 6.003 4.177 1.00 1.00 C ATOM 820 NZ LYS A 53 18.608 7.443 4.576 1.00 1.00 N ATOM 0 H LYS A 53 16.762 7.500 1.303 1.00 1.00 H new ATOM 0 HA LYS A 53 14.607 6.165 2.407 1.00 1.00 H new ATOM 0 HB2 LYS A 53 16.636 8.164 3.250 1.00 1.00 H new ATOM 0 HB3 LYS A 53 15.153 8.272 4.177 1.00 1.00 H new ATOM 0 HG2 LYS A 53 16.504 6.653 5.341 1.00 1.00 H new ATOM 0 HG3 LYS A 53 15.296 5.710 4.491 1.00 1.00 H new ATOM 0 HD2 LYS A 53 17.122 4.536 3.689 1.00 1.00 H new ATOM 0 HD3 LYS A 53 17.234 5.852 2.536 1.00 1.00 H new ATOM 0 HE2 LYS A 53 18.864 5.379 5.040 1.00 1.00 H new ATOM 0 HE3 LYS A 53 19.415 5.832 3.439 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 19.553 7.727 4.906 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 18.337 8.026 3.758 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 17.918 7.580 5.342 1.00 1.00 H new ATOM 834 N GLU A 54 13.936 9.345 1.807 1.00 1.00 N ATOM 835 CA GLU A 54 12.834 10.279 1.639 1.00 1.00 C ATOM 836 C GLU A 54 11.816 9.713 0.662 1.00 1.00 C ATOM 837 O GLU A 54 10.608 9.855 0.861 1.00 1.00 O ATOM 838 CB GLU A 54 13.363 11.621 1.120 1.00 1.00 C ATOM 839 CG GLU A 54 13.933 12.429 2.281 1.00 1.00 C ATOM 840 CD GLU A 54 14.536 13.733 1.768 1.00 1.00 C ATOM 841 OE1 GLU A 54 14.376 14.013 0.592 1.00 1.00 O ATOM 842 OE2 GLU A 54 15.145 14.435 2.559 1.00 1.00 O ATOM 0 H GLU A 54 14.861 9.739 1.633 1.00 1.00 H new ATOM 0 HA GLU A 54 12.351 10.434 2.604 1.00 1.00 H new ATOM 0 HB2 GLU A 54 14.133 11.453 0.367 1.00 1.00 H new ATOM 0 HB3 GLU A 54 12.560 12.177 0.636 1.00 1.00 H new ATOM 0 HG2 GLU A 54 13.147 12.643 3.005 1.00 1.00 H new ATOM 0 HG3 GLU A 54 14.695 11.847 2.800 1.00 1.00 H new ATOM 849 N SER A 55 12.306 9.064 -0.390 1.00 1.00 N ATOM 850 CA SER A 55 11.411 8.473 -1.375 1.00 1.00 C ATOM 851 C SER A 55 10.534 7.411 -0.713 1.00 1.00 C ATOM 852 O SER A 55 9.339 7.325 -0.975 1.00 1.00 O ATOM 853 CB SER A 55 12.217 7.845 -2.517 1.00 1.00 C ATOM 854 OG SER A 55 11.384 6.977 -3.270 1.00 1.00 O ATOM 0 H SER A 55 13.300 8.936 -0.579 1.00 1.00 H new ATOM 0 HA SER A 55 10.775 9.258 -1.784 1.00 1.00 H new ATOM 0 HB2 SER A 55 12.622 8.626 -3.161 1.00 1.00 H new ATOM 0 HB3 SER A 55 13.066 7.292 -2.115 1.00 1.00 H new ATOM 0 HG SER A 55 11.902 6.578 -4.000 1.00 1.00 H new ATOM 860 N ILE A 56 11.140 6.590 0.133 1.00 1.00 N ATOM 861 CA ILE A 56 10.401 5.529 0.801 1.00 1.00 C ATOM 862 C ILE A 56 9.405 6.128 1.788 1.00 1.00 C ATOM 863 O ILE A 56 8.268 5.691 1.873 1.00 1.00 O ATOM 864 CB ILE A 56 11.378 4.618 1.558 1.00 1.00 C ATOM 865 CG1 ILE A 56 12.570 4.272 0.659 1.00 1.00 C ATOM 866 CG2 ILE A 56 10.669 3.319 1.959 1.00 1.00 C ATOM 867 CD1 ILE A 56 12.077 3.830 -0.710 1.00 1.00 C ATOM 0 H ILE A 56 12.131 6.637 0.371 1.00 1.00 H new ATOM 0 HA ILE A 56 9.862 4.948 0.053 1.00 1.00 H new ATOM 0 HB ILE A 56 11.727 5.140 2.449 1.00 1.00 H new ATOM 0 HG12 ILE A 56 13.223 5.139 0.557 1.00 1.00 H new ATOM 0 HG13 ILE A 56 13.162 3.479 1.115 1.00 1.00 H new ATOM 0 HG21 ILE A 56 11.366 2.675 2.496 1.00 1.00 H new ATOM 0 HG22 ILE A 56 9.820 3.551 2.602 1.00 1.00 H new ATOM 0 HG23 ILE A 56 10.317 2.806 1.064 1.00 1.00 H new ATOM 0 HD11 ILE A 56 12.930 3.586 -1.343 1.00 1.00 H new ATOM 0 HD12 ILE A 56 11.442 2.950 -0.602 1.00 1.00 H new ATOM 0 HD13 ILE A 56 11.504 4.636 -1.168 1.00 1.00 H new ATOM 879 N ARG A 57 9.860 7.114 2.550 1.00 1.00 N ATOM 880 CA ARG A 57 9.003 7.756 3.541 1.00 1.00 C ATOM 881 C ARG A 57 7.828 8.469 2.870 1.00 1.00 C ATOM 882 O ARG A 57 6.697 8.440 3.371 1.00 1.00 O ATOM 883 CB ARG A 57 9.807 8.780 4.347 1.00 1.00 C ATOM 884 CG ARG A 57 10.885 8.056 5.156 1.00 1.00 C ATOM 885 CD ARG A 57 11.626 9.063 6.037 1.00 1.00 C ATOM 886 NE ARG A 57 12.705 8.403 6.763 1.00 1.00 N ATOM 887 CZ ARG A 57 13.246 8.955 7.845 1.00 1.00 C ATOM 888 NH1 ARG A 57 12.806 10.104 8.279 1.00 1.00 N ATOM 889 NH2 ARG A 57 14.214 8.346 8.473 1.00 1.00 N ATOM 0 H ARG A 57 10.809 7.485 2.503 1.00 1.00 H new ATOM 0 HA ARG A 57 8.618 6.979 4.202 1.00 1.00 H new ATOM 0 HB2 ARG A 57 10.266 9.507 3.677 1.00 1.00 H new ATOM 0 HB3 ARG A 57 9.146 9.334 5.014 1.00 1.00 H new ATOM 0 HG2 ARG A 57 10.432 7.281 5.774 1.00 1.00 H new ATOM 0 HG3 ARG A 57 11.586 7.559 4.485 1.00 1.00 H new ATOM 0 HD2 ARG A 57 12.031 9.866 5.421 1.00 1.00 H new ATOM 0 HD3 ARG A 57 10.931 9.521 6.741 1.00 1.00 H new ATOM 0 HE ARG A 57 13.051 7.501 6.435 1.00 1.00 H new ATOM 0 HH11 ARG A 57 12.048 10.578 7.788 1.00 1.00 H new ATOM 0 HH12 ARG A 57 13.220 10.528 9.109 1.00 1.00 H new ATOM 0 HH21 ARG A 57 14.556 7.447 8.134 1.00 1.00 H new ATOM 0 HH22 ARG A 57 14.629 8.769 9.303 1.00 1.00 H new ATOM 903 N ALA A 58 8.098 9.086 1.718 1.00 1.00 N ATOM 904 CA ALA A 58 7.059 9.796 0.974 1.00 1.00 C ATOM 905 C ALA A 58 6.041 8.809 0.387 1.00 1.00 C ATOM 906 O ALA A 58 4.831 8.956 0.541 1.00 1.00 O ATOM 907 CB ALA A 58 7.695 10.615 -0.142 1.00 1.00 C ATOM 0 H ALA A 58 9.021 9.108 1.284 1.00 1.00 H new ATOM 0 HA ALA A 58 6.534 10.463 1.658 1.00 1.00 H new ATOM 0 HB1 ALA A 58 6.918 11.143 -0.694 1.00 1.00 H new ATOM 0 HB2 ALA A 58 8.389 11.337 0.287 1.00 1.00 H new ATOM 0 HB3 ALA A 58 8.234 9.952 -0.818 1.00 1.00 H new ATOM 913 N LYS A 59 6.534 7.790 -0.275 1.00 1.00 N ATOM 914 CA LYS A 59 5.657 6.777 -0.847 1.00 1.00 C ATOM 915 C LYS A 59 4.970 5.982 0.248 1.00 1.00 C ATOM 916 O LYS A 59 3.813 5.592 0.116 1.00 1.00 O ATOM 917 CB LYS A 59 6.459 5.860 -1.764 1.00 1.00 C ATOM 918 CG LYS A 59 7.035 6.673 -2.938 1.00 1.00 C ATOM 919 CD LYS A 59 5.917 7.343 -3.749 1.00 1.00 C ATOM 920 CE LYS A 59 4.887 6.288 -4.174 1.00 1.00 C ATOM 921 NZ LYS A 59 4.146 6.774 -5.357 1.00 1.00 N ATOM 0 H LYS A 59 7.529 7.634 -0.434 1.00 1.00 H new ATOM 0 HA LYS A 59 4.883 7.270 -1.435 1.00 1.00 H new ATOM 0 HB2 LYS A 59 7.267 5.388 -1.205 1.00 1.00 H new ATOM 0 HB3 LYS A 59 5.822 5.060 -2.141 1.00 1.00 H new ATOM 0 HG2 LYS A 59 7.718 7.433 -2.558 1.00 1.00 H new ATOM 0 HG3 LYS A 59 7.617 6.018 -3.587 1.00 1.00 H new ATOM 0 HD2 LYS A 59 5.435 8.117 -3.152 1.00 1.00 H new ATOM 0 HD3 LYS A 59 6.335 7.833 -4.628 1.00 1.00 H new ATOM 0 HE2 LYS A 59 5.387 5.348 -4.406 1.00 1.00 H new ATOM 0 HE3 LYS A 59 4.196 6.088 -3.355 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 3.895 5.968 -5.965 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 3.279 7.258 -5.049 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 4.742 7.438 -5.891 1.00 1.00 H new ATOM 935 N CYS A 60 5.695 5.735 1.322 1.00 1.00 N ATOM 936 CA CYS A 60 5.152 4.972 2.435 1.00 1.00 C ATOM 937 C CYS A 60 3.860 5.616 2.929 1.00 1.00 C ATOM 938 O CYS A 60 2.840 4.941 3.076 1.00 1.00 O ATOM 939 CB CYS A 60 6.170 4.934 3.581 1.00 1.00 C ATOM 940 SG CYS A 60 7.353 3.600 3.295 1.00 1.00 S ATOM 0 H CYS A 60 6.657 6.049 1.450 1.00 1.00 H new ATOM 0 HA CYS A 60 4.942 3.957 2.098 1.00 1.00 H new ATOM 0 HB2 CYS A 60 6.692 5.888 3.649 1.00 1.00 H new ATOM 0 HB3 CYS A 60 5.658 4.782 4.531 1.00 1.00 H new ATOM 0 HG CYS A 60 8.181 3.949 2.356 1.00 1.00 H new ATOM 946 N VAL A 61 3.913 6.923 3.177 1.00 1.00 N ATOM 947 CA VAL A 61 2.732 7.642 3.649 1.00 1.00 C ATOM 948 C VAL A 61 1.631 7.625 2.595 1.00 1.00 C ATOM 949 O VAL A 61 0.440 7.642 2.921 1.00 1.00 O ATOM 950 CB VAL A 61 3.100 9.086 3.997 1.00 1.00 C ATOM 951 CG1 VAL A 61 3.736 9.756 2.790 1.00 1.00 C ATOM 952 CG2 VAL A 61 1.839 9.854 4.388 1.00 1.00 C ATOM 0 H VAL A 61 4.747 7.498 3.061 1.00 1.00 H new ATOM 0 HA VAL A 61 2.361 7.142 4.543 1.00 1.00 H new ATOM 0 HB VAL A 61 3.804 9.086 4.829 1.00 1.00 H new ATOM 0 HG11 VAL A 61 3.997 10.784 3.040 1.00 1.00 H new ATOM 0 HG12 VAL A 61 4.636 9.212 2.504 1.00 1.00 H new ATOM 0 HG13 VAL A 61 3.031 9.753 1.959 1.00 1.00 H new ATOM 0 HG21 VAL A 61 2.102 10.882 4.636 1.00 1.00 H new ATOM 0 HG22 VAL A 61 1.137 9.850 3.554 1.00 1.00 H new ATOM 0 HG23 VAL A 61 1.377 9.379 5.254 1.00 1.00 H new ATOM 962 N GLN A 62 2.039 7.567 1.326 1.00 1.00 N ATOM 963 CA GLN A 62 1.066 7.523 0.231 1.00 1.00 C ATOM 964 C GLN A 62 0.334 6.182 0.220 1.00 1.00 C ATOM 965 O GLN A 62 -0.902 6.127 0.130 1.00 1.00 O ATOM 966 CB GLN A 62 1.774 7.737 -1.104 1.00 1.00 C ATOM 967 CG GLN A 62 2.225 9.196 -1.217 1.00 1.00 C ATOM 968 CD GLN A 62 3.029 9.398 -2.495 1.00 1.00 C ATOM 969 OE1 GLN A 62 3.104 8.498 -3.331 1.00 1.00 O ATOM 970 NE2 GLN A 62 3.649 10.530 -2.692 1.00 1.00 N ATOM 0 H GLN A 62 3.016 7.550 1.034 1.00 1.00 H new ATOM 0 HA GLN A 62 0.336 8.319 0.383 1.00 1.00 H new ATOM 0 HB2 GLN A 62 2.635 7.073 -1.182 1.00 1.00 H new ATOM 0 HB3 GLN A 62 1.104 7.488 -1.927 1.00 1.00 H new ATOM 0 HG2 GLN A 62 1.356 9.854 -1.217 1.00 1.00 H new ATOM 0 HG3 GLN A 62 2.830 9.466 -0.351 1.00 1.00 H new ATOM 0 HE21 GLN A 62 3.585 11.274 -1.997 1.00 1.00 H new ATOM 0 HE22 GLN A 62 4.197 10.670 -3.541 1.00 1.00 H new ATOM 979 N TYR A 63 1.099 5.100 0.325 1.00 1.00 N ATOM 980 CA TYR A 63 0.510 3.768 0.333 1.00 1.00 C ATOM 981 C TYR A 63 -0.433 3.609 1.510 1.00 1.00 C ATOM 982 O TYR A 63 -1.566 3.152 1.343 1.00 1.00 O ATOM 983 CB TYR A 63 1.617 2.710 0.405 1.00 1.00 C ATOM 984 CG TYR A 63 2.512 2.794 -0.818 1.00 1.00 C ATOM 985 CD1 TYR A 63 1.956 2.908 -2.098 1.00 1.00 C ATOM 986 CD2 TYR A 63 3.902 2.770 -0.672 1.00 1.00 C ATOM 987 CE1 TYR A 63 2.772 3.001 -3.217 1.00 1.00 C ATOM 988 CE2 TYR A 63 4.722 2.853 -1.798 1.00 1.00 C ATOM 989 CZ TYR A 63 4.156 2.973 -3.072 1.00 1.00 C ATOM 990 OH TYR A 63 4.965 3.061 -4.185 1.00 1.00 O ATOM 0 H TYR A 63 2.116 5.119 0.405 1.00 1.00 H new ATOM 0 HA TYR A 63 -0.058 3.633 -0.587 1.00 1.00 H new ATOM 0 HB2 TYR A 63 2.210 2.856 1.308 1.00 1.00 H new ATOM 0 HB3 TYR A 63 1.175 1.716 0.472 1.00 1.00 H new ATOM 0 HD1 TYR A 63 0.883 2.924 -2.216 1.00 1.00 H new ATOM 0 HD2 TYR A 63 4.341 2.687 0.311 1.00 1.00 H new ATOM 0 HE1 TYR A 63 2.333 3.095 -4.199 1.00 1.00 H new ATOM 0 HE2 TYR A 63 5.796 2.825 -1.686 1.00 1.00 H new ATOM 0 HH TYR A 63 4.472 3.492 -4.914 1.00 1.00 H new ATOM 1000 N LEU A 64 0.031 3.993 2.695 1.00 1.00 N ATOM 1001 CA LEU A 64 -0.806 3.878 3.877 1.00 1.00 C ATOM 1002 C LEU A 64 -2.075 4.692 3.695 1.00 1.00 C ATOM 1003 O LEU A 64 -3.176 4.177 3.901 1.00 1.00 O ATOM 1004 CB LEU A 64 -0.033 4.387 5.103 1.00 1.00 C ATOM 1005 CG LEU A 64 0.656 3.217 5.806 1.00 1.00 C ATOM 1006 CD1 LEU A 64 1.644 3.751 6.846 1.00 1.00 C ATOM 1007 CD2 LEU A 64 -0.403 2.324 6.492 1.00 1.00 C ATOM 0 H LEU A 64 0.961 4.378 2.858 1.00 1.00 H new ATOM 0 HA LEU A 64 -1.075 2.832 4.026 1.00 1.00 H new ATOM 0 HB2 LEU A 64 0.708 5.125 4.796 1.00 1.00 H new ATOM 0 HB3 LEU A 64 -0.714 4.886 5.792 1.00 1.00 H new ATOM 0 HG LEU A 64 1.199 2.623 5.071 1.00 1.00 H new ATOM 0 HD11 LEU A 64 2.134 2.915 7.346 1.00 1.00 H new ATOM 0 HD12 LEU A 64 2.394 4.368 6.352 1.00 1.00 H new ATOM 0 HD13 LEU A 64 1.109 4.350 7.582 1.00 1.00 H new ATOM 0 HD21 LEU A 64 0.092 1.491 6.992 1.00 1.00 H new ATOM 0 HD22 LEU A 64 -0.954 2.912 7.226 1.00 1.00 H new ATOM 0 HD23 LEU A 64 -1.094 1.938 5.743 1.00 1.00 H new ATOM 1019 N ASP A 65 -1.928 5.950 3.308 1.00 1.00 N ATOM 1020 CA ASP A 65 -3.086 6.816 3.122 1.00 1.00 C ATOM 1021 C ASP A 65 -4.143 6.065 2.324 1.00 1.00 C ATOM 1022 O ASP A 65 -5.322 6.116 2.643 1.00 1.00 O ATOM 1023 CB ASP A 65 -2.660 8.065 2.352 1.00 1.00 C ATOM 1024 CG ASP A 65 -3.878 8.910 2.002 1.00 1.00 C ATOM 1025 OD1 ASP A 65 -4.930 8.653 2.560 1.00 1.00 O ATOM 1026 OD2 ASP A 65 -3.741 9.800 1.179 1.00 1.00 O ATOM 0 H ASP A 65 -1.029 6.392 3.118 1.00 1.00 H new ATOM 0 HA ASP A 65 -3.493 7.106 4.090 1.00 1.00 H new ATOM 0 HB2 ASP A 65 -1.963 8.650 2.952 1.00 1.00 H new ATOM 0 HB3 ASP A 65 -2.134 7.778 1.441 1.00 1.00 H new ATOM 1031 N ARG A 66 -3.717 5.366 1.288 1.00 1.00 N ATOM 1032 CA ARG A 66 -4.655 4.588 0.491 1.00 1.00 C ATOM 1033 C ARG A 66 -5.245 3.439 1.307 1.00 1.00 C ATOM 1034 O ARG A 66 -6.447 3.183 1.277 1.00 1.00 O ATOM 1035 CB ARG A 66 -3.955 4.027 -0.744 1.00 1.00 C ATOM 1036 CG ARG A 66 -3.733 5.153 -1.765 1.00 1.00 C ATOM 1037 CD ARG A 66 -4.986 5.317 -2.633 1.00 1.00 C ATOM 1038 NE ARG A 66 -5.242 4.087 -3.375 1.00 1.00 N ATOM 1039 CZ ARG A 66 -6.156 4.044 -4.337 1.00 1.00 C ATOM 1040 NH1 ARG A 66 -6.837 5.117 -4.633 1.00 1.00 N ATOM 1041 NH2 ARG A 66 -6.373 2.933 -4.986 1.00 1.00 N ATOM 0 H ARG A 66 -2.746 5.319 0.980 1.00 1.00 H new ATOM 0 HA ARG A 66 -5.465 5.249 0.183 1.00 1.00 H new ATOM 0 HB2 ARG A 66 -3.000 3.583 -0.463 1.00 1.00 H new ATOM 0 HB3 ARG A 66 -4.557 3.234 -1.187 1.00 1.00 H new ATOM 0 HG2 ARG A 66 -3.512 6.087 -1.249 1.00 1.00 H new ATOM 0 HG3 ARG A 66 -2.872 4.924 -2.392 1.00 1.00 H new ATOM 0 HD2 ARG A 66 -5.844 5.559 -2.006 1.00 1.00 H new ATOM 0 HD3 ARG A 66 -4.853 6.148 -3.325 1.00 1.00 H new ATOM 0 HE ARG A 66 -4.710 3.246 -3.151 1.00 1.00 H new ATOM 0 HH11 ARG A 66 -6.666 5.985 -4.126 1.00 1.00 H new ATOM 0 HH12 ARG A 66 -7.540 5.087 -5.372 1.00 1.00 H new ATOM 0 HH21 ARG A 66 -5.840 2.095 -4.755 1.00 1.00 H new ATOM 0 HH22 ARG A 66 -7.076 2.903 -5.725 1.00 1.00 H new ATOM 1055 N ALA A 67 -4.382 2.732 2.018 1.00 1.00 N ATOM 1056 CA ALA A 67 -4.824 1.601 2.814 1.00 1.00 C ATOM 1057 C ALA A 67 -5.839 2.017 3.869 1.00 1.00 C ATOM 1058 O ALA A 67 -6.812 1.312 4.126 1.00 1.00 O ATOM 1059 CB ALA A 67 -3.618 0.961 3.526 1.00 1.00 C ATOM 0 H ALA A 67 -3.380 2.919 2.060 1.00 1.00 H new ATOM 0 HA ALA A 67 -5.294 0.889 2.135 1.00 1.00 H new ATOM 0 HB1 ALA A 67 -3.955 0.113 4.122 1.00 1.00 H new ATOM 0 HB2 ALA A 67 -2.897 0.619 2.784 1.00 1.00 H new ATOM 0 HB3 ALA A 67 -3.147 1.697 4.177 1.00 1.00 H new ATOM 1065 N GLU A 68 -5.593 3.150 4.507 1.00 1.00 N ATOM 1066 CA GLU A 68 -6.478 3.623 5.557 1.00 1.00 C ATOM 1067 C GLU A 68 -7.877 3.905 5.036 1.00 1.00 C ATOM 1068 O GLU A 68 -8.866 3.469 5.629 1.00 1.00 O ATOM 1069 CB GLU A 68 -5.886 4.888 6.192 1.00 1.00 C ATOM 1070 CG GLU A 68 -6.027 6.066 5.240 1.00 1.00 C ATOM 1071 CD GLU A 68 -7.389 6.748 5.402 1.00 1.00 C ATOM 1072 OE1 GLU A 68 -8.184 6.253 6.180 1.00 1.00 O ATOM 1073 OE2 GLU A 68 -7.614 7.752 4.746 1.00 1.00 O ATOM 0 H GLU A 68 -4.794 3.755 4.318 1.00 1.00 H new ATOM 0 HA GLU A 68 -6.563 2.836 6.306 1.00 1.00 H new ATOM 0 HB2 GLU A 68 -6.396 5.106 7.130 1.00 1.00 H new ATOM 0 HB3 GLU A 68 -4.835 4.727 6.430 1.00 1.00 H new ATOM 0 HG2 GLU A 68 -5.231 6.787 5.429 1.00 1.00 H new ATOM 0 HG3 GLU A 68 -5.909 5.723 4.212 1.00 1.00 H new ATOM 1080 N LYS A 69 -7.961 4.640 3.927 1.00 1.00 N ATOM 1081 CA LYS A 69 -9.252 4.979 3.349 1.00 1.00 C ATOM 1082 C LYS A 69 -9.950 3.714 2.862 1.00 1.00 C ATOM 1083 O LYS A 69 -11.180 3.581 2.964 1.00 1.00 O ATOM 1084 CB LYS A 69 -9.062 5.974 2.215 1.00 1.00 C ATOM 1085 CG LYS A 69 -8.100 5.403 1.194 1.00 1.00 C ATOM 1086 CD LYS A 69 -8.117 6.268 -0.095 1.00 1.00 C ATOM 1087 CE LYS A 69 -8.715 5.455 -1.249 1.00 1.00 C ATOM 1088 NZ LYS A 69 -7.871 4.251 -1.499 1.00 1.00 N ATOM 0 H LYS A 69 -7.156 5.007 3.419 1.00 1.00 H new ATOM 0 HA LYS A 69 -9.882 5.443 4.108 1.00 1.00 H new ATOM 0 HB2 LYS A 69 -10.021 6.192 1.744 1.00 1.00 H new ATOM 0 HB3 LYS A 69 -8.677 6.916 2.605 1.00 1.00 H new ATOM 0 HG2 LYS A 69 -7.092 5.374 1.609 1.00 1.00 H new ATOM 0 HG3 LYS A 69 -8.377 4.376 0.956 1.00 1.00 H new ATOM 0 HD2 LYS A 69 -8.703 7.172 0.069 1.00 1.00 H new ATOM 0 HD3 LYS A 69 -7.105 6.585 -0.346 1.00 1.00 H new ATOM 0 HE2 LYS A 69 -9.734 5.154 -1.006 1.00 1.00 H new ATOM 0 HE3 LYS A 69 -8.770 6.067 -2.149 1.00 1.00 H new ATOM 0 HZ1 LYS A 69 -7.373 4.358 -2.406 1.00 1.00 H new ATOM 0 HZ2 LYS A 69 -7.176 4.149 -0.732 1.00 1.00 H new ATOM 0 HZ3 LYS A 69 -8.475 3.405 -1.533 1.00 1.00 H new ATOM 1102 N LEU A 70 -9.151 2.780 2.331 1.00 1.00 N ATOM 1103 CA LEU A 70 -9.689 1.530 1.830 1.00 1.00 C ATOM 1104 C LEU A 70 -10.350 0.761 2.956 1.00 1.00 C ATOM 1105 O LEU A 70 -11.480 0.293 2.820 1.00 1.00 O ATOM 1106 CB LEU A 70 -8.569 0.693 1.198 1.00 1.00 C ATOM 1107 CG LEU A 70 -8.268 1.218 -0.222 1.00 1.00 C ATOM 1108 CD1 LEU A 70 -6.865 0.778 -0.643 1.00 1.00 C ATOM 1109 CD2 LEU A 70 -9.301 0.652 -1.222 1.00 1.00 C ATOM 0 H LEU A 70 -8.139 2.874 2.242 1.00 1.00 H new ATOM 0 HA LEU A 70 -10.438 1.745 1.068 1.00 1.00 H new ATOM 0 HB2 LEU A 70 -7.671 0.745 1.814 1.00 1.00 H new ATOM 0 HB3 LEU A 70 -8.865 -0.355 1.154 1.00 1.00 H new ATOM 0 HG LEU A 70 -8.327 2.306 -0.219 1.00 1.00 H new ATOM 0 HD11 LEU A 70 -6.653 1.149 -1.646 1.00 1.00 H new ATOM 0 HD12 LEU A 70 -6.132 1.182 0.056 1.00 1.00 H new ATOM 0 HD13 LEU A 70 -6.809 -0.311 -0.639 1.00 1.00 H new ATOM 0 HD21 LEU A 70 -9.082 1.027 -2.222 1.00 1.00 H new ATOM 0 HD22 LEU A 70 -9.248 -0.437 -1.223 1.00 1.00 H new ATOM 0 HD23 LEU A 70 -10.302 0.966 -0.928 1.00 1.00 H new ATOM 1121 N LYS A 71 -9.652 0.673 4.059 1.00 1.00 N ATOM 1122 CA LYS A 71 -10.150 -0.006 5.243 1.00 1.00 C ATOM 1123 C LYS A 71 -11.260 0.819 5.899 1.00 1.00 C ATOM 1124 O LYS A 71 -12.060 0.300 6.678 1.00 1.00 O ATOM 1125 CB LYS A 71 -9.039 -0.235 6.258 1.00 1.00 C ATOM 1126 CG LYS A 71 -9.536 -1.179 7.363 1.00 1.00 C ATOM 1127 CD LYS A 71 -8.368 -1.578 8.270 1.00 1.00 C ATOM 1128 CE LYS A 71 -7.717 -0.323 8.852 1.00 1.00 C ATOM 1129 NZ LYS A 71 -8.777 0.644 9.253 1.00 1.00 N ATOM 0 H LYS A 71 -8.719 1.069 4.169 1.00 1.00 H new ATOM 0 HA LYS A 71 -10.542 -0.972 4.926 1.00 1.00 H new ATOM 0 HB2 LYS A 71 -8.166 -0.663 5.766 1.00 1.00 H new ATOM 0 HB3 LYS A 71 -8.727 0.715 6.691 1.00 1.00 H new ATOM 0 HG2 LYS A 71 -10.313 -0.689 7.950 1.00 1.00 H new ATOM 0 HG3 LYS A 71 -9.984 -2.068 6.920 1.00 1.00 H new ATOM 0 HD2 LYS A 71 -8.723 -2.222 9.075 1.00 1.00 H new ATOM 0 HD3 LYS A 71 -7.634 -2.151 7.703 1.00 1.00 H new ATOM 0 HE2 LYS A 71 -7.103 -0.585 9.714 1.00 1.00 H new ATOM 0 HE3 LYS A 71 -7.055 0.131 8.115 1.00 1.00 H new ATOM 0 HZ1 LYS A 71 -8.406 1.281 9.987 1.00 1.00 H new ATOM 0 HZ2 LYS A 71 -9.069 1.202 8.425 1.00 1.00 H new ATOM 0 HZ3 LYS A 71 -9.597 0.125 9.627 1.00 1.00 H new ATOM 1143 N ASP A 72 -11.270 2.122 5.612 1.00 1.00 N ATOM 1144 CA ASP A 72 -12.250 3.006 6.223 1.00 1.00 C ATOM 1145 C ASP A 72 -13.680 2.733 5.742 1.00 1.00 C ATOM 1146 O ASP A 72 -14.580 2.420 6.536 1.00 1.00 O ATOM 1147 CB ASP A 72 -11.890 4.466 5.866 1.00 1.00 C ATOM 1148 CG ASP A 72 -12.690 5.430 6.744 1.00 1.00 C ATOM 1149 OD1 ASP A 72 -12.570 5.325 7.955 1.00 1.00 O ATOM 1150 OD2 ASP A 72 -13.400 6.260 6.198 1.00 1.00 O ATOM 0 H ASP A 72 -10.620 2.578 4.971 1.00 1.00 H new ATOM 0 HA ASP A 72 -12.221 2.829 7.298 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -10.822 4.632 6.009 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -12.104 4.656 4.814 1.00 1.00 H new ATOM 1155 N TYR A 73 -13.870 2.836 4.434 1.00 1.00 N ATOM 1156 CA TYR A 73 -15.190 2.599 3.864 1.00 1.00 C ATOM 1157 C TYR A 73 -15.500 1.114 3.831 1.00 1.00 C ATOM 1158 O TYR A 73 -16.660 0.713 3.908 1.00 1.00 O ATOM 1159 CB TYR A 73 -15.310 3.225 2.478 1.00 1.00 C ATOM 1160 CG TYR A 73 -14.640 2.341 1.456 1.00 1.00 C ATOM 1161 CD1 TYR A 73 -15.280 1.174 1.012 1.00 1.00 C ATOM 1162 CD2 TYR A 73 -13.390 2.679 0.954 1.00 1.00 C ATOM 1163 CE1 TYR A 73 -14.670 0.355 0.083 1.00 1.00 C ATOM 1164 CE2 TYR A 73 -12.780 1.853 0.022 1.00 1.00 C ATOM 1165 CZ TYR A 73 -13.410 0.690 -0.412 1.00 1.00 C ATOM 1166 OH TYR A 73 -12.790 -0.122 -1.324 1.00 1.00 O ATOM 0 H TYR A 73 -13.144 3.077 3.759 1.00 1.00 H new ATOM 0 HA TYR A 73 -15.929 3.081 4.504 1.00 1.00 H new ATOM 0 HB2 TYR A 73 -16.360 3.362 2.221 1.00 1.00 H new ATOM 0 HB3 TYR A 73 -14.850 4.213 2.475 1.00 1.00 H new ATOM 0 HD1 TYR A 73 -16.255 0.915 1.399 1.00 1.00 H new ATOM 0 HD2 TYR A 73 -12.896 3.580 1.287 1.00 1.00 H new ATOM 0 HE1 TYR A 73 -15.166 -0.541 -0.259 1.00 1.00 H new ATOM 0 HE2 TYR A 73 -11.808 2.114 -0.370 1.00 1.00 H new ATOM 0 HH TYR A 73 -13.256 -0.983 -1.366 1.00 1.00 H new ATOM 1176 N LEU A 74 -14.450 0.299 3.707 1.00 1.00 N ATOM 1177 CA LEU A 74 -14.640 -1.150 3.667 1.00 1.00 C ATOM 1178 C LEU A 74 -15.300 -1.607 4.964 1.00 1.00 C ATOM 1179 O LEU A 74 -16.300 -2.326 4.930 1.00 1.00 O ATOM 1180 CB LEU A 74 -13.280 -1.828 3.535 1.00 1.00 C ATOM 1181 CG LEU A 74 -12.870 -1.913 2.056 1.00 1.00 C ATOM 1182 CD1 LEU A 74 -11.370 -2.264 1.930 1.00 1.00 C ATOM 1183 CD2 LEU A 74 -13.740 -2.990 1.350 1.00 1.00 C ATOM 0 H LEU A 74 -13.481 0.609 3.634 1.00 1.00 H new ATOM 0 HA LEU A 74 -15.271 -1.415 2.819 1.00 1.00 H new ATOM 0 HB2 LEU A 74 -12.531 -1.269 4.096 1.00 1.00 H new ATOM 0 HB3 LEU A 74 -13.321 -2.828 3.967 1.00 1.00 H new ATOM 0 HG LEU A 74 -13.031 -0.946 1.579 1.00 1.00 H new ATOM 0 HD11 LEU A 74 -11.097 -2.320 0.876 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -10.774 -1.494 2.419 1.00 1.00 H new ATOM 0 HD13 LEU A 74 -11.180 -3.226 2.406 1.00 1.00 H new ATOM 0 HD21 LEU A 74 -13.455 -3.057 0.300 1.00 1.00 H new ATOM 0 HD22 LEU A 74 -13.584 -3.956 1.830 1.00 1.00 H new ATOM 0 HD23 LEU A 74 -14.792 -2.714 1.424 1.00 1.00 H new ATOM 1273 N PRO B 171 6.485 2.817 -7.349 1.00 1.00 N ATOM 1274 CA PRO B 171 5.346 2.933 -8.301 1.00 1.00 C ATOM 1275 C PRO B 171 4.338 3.972 -7.823 1.00 1.00 C ATOM 1276 O PRO B 171 4.563 4.654 -6.824 1.00 1.00 O ATOM 1277 CB PRO B 171 4.725 1.530 -8.318 1.00 1.00 C ATOM 1278 CG PRO B 171 5.123 0.911 -7.021 1.00 1.00 C ATOM 1279 CD PRO B 171 6.467 1.507 -6.664 1.00 1.00 C ATOM 0 HA PRO B 171 5.663 3.260 -9.292 1.00 1.00 H new ATOM 0 HB2 PRO B 171 3.640 1.581 -8.414 1.00 1.00 H new ATOM 0 HB3 PRO B 171 5.093 0.947 -9.162 1.00 1.00 H new ATOM 0 HG2 PRO B 171 4.386 1.122 -6.247 1.00 1.00 H new ATOM 0 HG3 PRO B 171 5.189 -0.173 -7.111 1.00 1.00 H new ATOM 0 HD2 PRO B 171 6.576 1.622 -5.586 1.00 1.00 H new ATOM 0 HD3 PRO B 171 7.285 0.871 -7.002 1.00 1.00 H new ATOM 1287 N GLU B 172 3.219 4.083 -8.540 1.00 1.00 N ATOM 1288 CA GLU B 172 2.173 5.033 -8.182 1.00 1.00 C ATOM 1289 C GLU B 172 0.885 4.304 -7.835 1.00 1.00 C ATOM 1290 O GLU B 172 0.537 3.293 -8.453 1.00 1.00 O ATOM 1291 CB GLU B 172 1.919 5.988 -9.348 1.00 1.00 C ATOM 1292 CG GLU B 172 0.915 7.061 -8.924 1.00 1.00 C ATOM 1293 CD GLU B 172 1.534 7.962 -7.859 1.00 1.00 C ATOM 1294 OE1 GLU B 172 2.751 8.004 -7.782 1.00 1.00 O ATOM 1295 OE2 GLU B 172 0.782 8.591 -7.132 1.00 1.00 O ATOM 0 H GLU B 172 3.017 3.526 -9.370 1.00 1.00 H new ATOM 0 HA GLU B 172 2.503 5.599 -7.311 1.00 1.00 H new ATOM 0 HB2 GLU B 172 2.854 6.454 -9.660 1.00 1.00 H new ATOM 0 HB3 GLU B 172 1.536 5.436 -10.206 1.00 1.00 H new ATOM 0 HG2 GLU B 172 0.619 7.656 -9.788 1.00 1.00 H new ATOM 0 HG3 GLU B 172 0.011 6.592 -8.535 1.00 1.00 H new ATOM 1302 N VAL B 173 0.174 4.825 -6.839 1.00 1.00 N ATOM 1303 CA VAL B 173 -1.073 4.220 -6.415 1.00 1.00 C ATOM 1304 C VAL B 173 -2.210 4.598 -7.378 1.00 1.00 C ATOM 1305 O VAL B 173 -2.367 5.769 -7.727 1.00 1.00 O ATOM 1306 CB VAL B 173 -1.435 4.665 -4.984 1.00 1.00 C ATOM 1307 CG1 VAL B 173 -0.943 3.625 -3.974 1.00 1.00 C ATOM 1308 CG2 VAL B 173 -0.763 6.003 -4.693 1.00 1.00 C ATOM 0 H VAL B 173 0.442 5.659 -6.317 1.00 1.00 H new ATOM 0 HA VAL B 173 -0.943 3.138 -6.425 1.00 1.00 H new ATOM 0 HB VAL B 173 -2.517 4.764 -4.900 1.00 1.00 H new ATOM 0 HG11 VAL B 173 -1.202 3.946 -2.965 1.00 1.00 H new ATOM 0 HG12 VAL B 173 -1.415 2.665 -4.182 1.00 1.00 H new ATOM 0 HG13 VAL B 173 0.139 3.523 -4.055 1.00 1.00 H new ATOM 0 HG21 VAL B 173 -1.015 6.324 -3.682 1.00 1.00 H new ATOM 0 HG22 VAL B 173 0.318 5.894 -4.781 1.00 1.00 H new ATOM 0 HG23 VAL B 173 -1.112 6.748 -5.408 1.00 1.00 H new ATOM 1318 N PRO B 174 -3.003 3.641 -7.794 1.00 1.00 N ATOM 1319 CA PRO B 174 -4.139 3.892 -8.724 1.00 1.00 C ATOM 1320 C PRO B 174 -5.304 4.587 -8.027 1.00 1.00 C ATOM 1321 O PRO B 174 -5.916 4.028 -7.118 1.00 1.00 O ATOM 1322 CB PRO B 174 -4.532 2.487 -9.194 1.00 1.00 C ATOM 1323 CG PRO B 174 -4.118 1.573 -8.090 1.00 1.00 C ATOM 1324 CD PRO B 174 -2.904 2.214 -7.449 1.00 1.00 C ATOM 0 HA PRO B 174 -3.867 4.558 -9.543 1.00 1.00 H new ATOM 0 HB2 PRO B 174 -5.604 2.420 -9.379 1.00 1.00 H new ATOM 0 HB3 PRO B 174 -4.030 2.230 -10.127 1.00 1.00 H new ATOM 0 HG2 PRO B 174 -4.922 1.448 -7.365 1.00 1.00 H new ATOM 0 HG3 PRO B 174 -3.879 0.581 -8.474 1.00 1.00 H new ATOM 0 HD2 PRO B 174 -2.904 2.068 -6.369 1.00 1.00 H new ATOM 0 HD3 PRO B 174 -1.980 1.779 -7.830 1.00 1.00 H new