USER MOD reduce.3.24.130724 H: found=0, std=0, add=277, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 276 hydrogens (11 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 NoAdj-H: A 18 ACAHN62 : A 18 ACA N6 : A 17 LYS C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 64:sc= 0.0117 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 160:sc= -0.0251 (180deg=-0.247) USER MOD Single : A 20 ASN : amide:sc= -0.248 X(o=-0.25,f=0) USER MOD Single : A 22 GLN : amide:sc= -0.715 K(o=-0.72,f=-3.7!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -140:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.286 X(o=-0.29,f=-0.59) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.850 -8.452 -4.064 1.00 35.04 N ATOM 2 CA GLY A 1 -18.024 -7.020 -3.900 1.00 60.01 C ATOM 3 C GLY A 1 -19.265 -6.529 -4.647 1.00 23.43 C ATOM 4 O GLY A 1 -19.217 -6.295 -5.854 1.00 54.20 O ATOM 0 H1 GLY A 1 -17.001 -8.760 -3.548 1.00 35.04 H new ATOM 0 H2 GLY A 1 -18.683 -8.948 -3.688 1.00 35.04 H new ATOM 0 H3 GLY A 1 -17.741 -8.675 -5.074 1.00 35.04 H new ATOM 0 HA2 GLY A 1 -18.114 -6.780 -2.841 1.00 60.01 H new ATOM 0 HA3 GLY A 1 -17.142 -6.498 -4.271 1.00 60.01 H new ATOM 8 N ILE A 2 -20.350 -6.388 -3.899 1.00 24.03 N ATOM 9 CA ILE A 2 -21.602 -5.929 -4.475 1.00 2.51 C ATOM 10 C ILE A 2 -21.823 -4.462 -4.104 1.00 41.52 C ATOM 11 O ILE A 2 -22.781 -4.131 -3.406 1.00 3.02 O ATOM 12 CB ILE A 2 -22.752 -6.848 -4.059 1.00 62.53 C ATOM 13 CG1 ILE A 2 -22.516 -8.279 -4.548 1.00 53.12 C ATOM 14 CG2 ILE A 2 -24.096 -6.294 -4.535 1.00 25.35 C ATOM 15 CD1 ILE A 2 -22.285 -9.229 -3.371 1.00 3.54 C ATOM 0 H ILE A 2 -20.387 -6.584 -2.899 1.00 24.03 H new ATOM 0 HA ILE A 2 -21.561 -5.980 -5.563 1.00 2.51 H new ATOM 0 HB ILE A 2 -22.785 -6.882 -2.970 1.00 62.53 H new ATOM 0 HG12 ILE A 2 -23.375 -8.615 -5.128 1.00 53.12 H new ATOM 0 HG13 ILE A 2 -21.653 -8.302 -5.214 1.00 53.12 H new ATOM 0 HG21 ILE A 2 -24.897 -6.966 -4.226 1.00 25.35 H new ATOM 0 HG22 ILE A 2 -24.260 -5.310 -4.097 1.00 25.35 H new ATOM 0 HG23 ILE A 2 -24.091 -6.211 -5.622 1.00 25.35 H new ATOM 0 HD11 ILE A 2 -22.120 -10.239 -3.746 1.00 3.54 H new ATOM 0 HD12 ILE A 2 -21.411 -8.904 -2.807 1.00 3.54 H new ATOM 0 HD13 ILE A 2 -23.160 -9.222 -2.721 1.00 3.54 H new ATOM 27 N GLY A 3 -20.919 -3.620 -4.585 1.00 4.21 N ATOM 28 CA GLY A 3 -21.004 -2.196 -4.313 1.00 51.25 C ATOM 29 C GLY A 3 -20.146 -1.397 -5.297 1.00 22.02 C ATOM 30 O GLY A 3 -19.139 -0.807 -4.912 1.00 41.35 O ATOM 0 H GLY A 3 -20.124 -3.898 -5.161 1.00 4.21 H new ATOM 0 HA2 GLY A 3 -22.042 -1.870 -4.382 1.00 51.25 H new ATOM 0 HA3 GLY A 3 -20.675 -1.997 -3.293 1.00 51.25 H new ATOM 34 N ALA A 4 -20.579 -1.404 -6.550 1.00 34.22 N ATOM 35 CA ALA A 4 -19.864 -0.688 -7.593 1.00 23.42 C ATOM 36 C ALA A 4 -19.403 0.665 -7.051 1.00 42.33 C ATOM 37 O ALA A 4 -18.316 1.135 -7.386 1.00 12.02 O ATOM 38 CB ALA A 4 -20.762 -0.549 -8.824 1.00 1.02 C ATOM 0 H ALA A 4 -21.416 -1.894 -6.866 1.00 34.22 H new ATOM 0 HA ALA A 4 -18.976 -1.240 -7.899 1.00 23.42 H new ATOM 0 HB1 ALA A 4 -20.226 -0.012 -9.607 1.00 1.02 H new ATOM 0 HB2 ALA A 4 -21.038 -1.539 -9.187 1.00 1.02 H new ATOM 0 HB3 ALA A 4 -21.663 0.003 -8.557 1.00 1.02 H new ATOM 44 N PHE A 5 -20.253 1.257 -6.224 1.00 35.53 N ATOM 45 CA PHE A 5 -19.945 2.548 -5.632 1.00 62.30 C ATOM 46 C PHE A 5 -19.353 2.383 -4.232 1.00 20.51 C ATOM 47 O PHE A 5 -18.610 3.244 -3.762 1.00 2.21 O ATOM 48 CB PHE A 5 -21.264 3.317 -5.529 1.00 64.53 C ATOM 49 CG PHE A 5 -22.246 3.027 -6.666 1.00 52.33 C ATOM 50 CD1 PHE A 5 -22.236 3.798 -7.786 1.00 51.34 C ATOM 51 CD2 PHE A 5 -23.128 1.998 -6.558 1.00 14.33 C ATOM 52 CE1 PHE A 5 -23.146 3.530 -8.842 1.00 34.24 C ATOM 53 CE2 PHE A 5 -24.037 1.728 -7.613 1.00 23.12 C ATOM 54 CZ PHE A 5 -24.027 2.500 -8.733 1.00 24.11 C ATOM 0 H PHE A 5 -21.155 0.866 -5.950 1.00 35.53 H new ATOM 0 HA PHE A 5 -19.213 3.074 -6.245 1.00 62.30 H new ATOM 0 HB2 PHE A 5 -21.741 3.073 -4.580 1.00 64.53 H new ATOM 0 HB3 PHE A 5 -21.049 4.385 -5.512 1.00 64.53 H new ATOM 0 HD1 PHE A 5 -21.535 4.615 -7.872 1.00 51.34 H new ATOM 0 HD2 PHE A 5 -23.137 1.386 -5.668 1.00 14.33 H new ATOM 0 HE1 PHE A 5 -23.139 4.143 -9.731 1.00 34.24 H new ATOM 0 HE2 PHE A 5 -24.737 0.910 -7.527 1.00 23.12 H new ATOM 0 HZ PHE A 5 -24.719 2.295 -9.536 1.00 24.11 H new ATOM 64 N GLY A 6 -19.705 1.271 -3.603 1.00 72.42 N ATOM 65 CA GLY A 6 -19.218 0.982 -2.265 1.00 54.52 C ATOM 66 C GLY A 6 -17.804 0.397 -2.310 1.00 43.01 C ATOM 67 O GLY A 6 -17.269 -0.022 -1.285 1.00 42.30 O ATOM 0 H GLY A 6 -20.322 0.560 -3.995 1.00 72.42 H new ATOM 0 HA2 GLY A 6 -19.219 1.895 -1.669 1.00 54.52 H new ATOM 0 HA3 GLY A 6 -19.891 0.279 -1.773 1.00 54.52 H new ATOM 71 N LEU A 7 -17.241 0.388 -3.509 1.00 41.33 N ATOM 72 CA LEU A 7 -15.900 -0.138 -3.702 1.00 74.04 C ATOM 73 C LEU A 7 -14.878 0.895 -3.223 1.00 2.13 C ATOM 74 O LEU A 7 -13.674 0.649 -3.270 1.00 74.11 O ATOM 75 CB LEU A 7 -15.700 -0.574 -5.155 1.00 34.13 C ATOM 76 CG LEU A 7 -14.896 0.383 -6.038 1.00 62.14 C ATOM 77 CD1 LEU A 7 -14.845 -0.117 -7.482 1.00 1.43 C ATOM 78 CD2 LEU A 7 -15.446 1.808 -5.943 1.00 24.54 C ATOM 0 H LEU A 7 -17.689 0.736 -4.357 1.00 41.33 H new ATOM 0 HA LEU A 7 -15.752 -1.035 -3.101 1.00 74.04 H new ATOM 0 HB2 LEU A 7 -15.202 -1.544 -5.157 1.00 34.13 H new ATOM 0 HB3 LEU A 7 -16.681 -0.718 -5.609 1.00 34.13 H new ATOM 0 HG LEU A 7 -13.870 0.409 -5.670 1.00 62.14 H new ATOM 0 HD11 LEU A 7 -14.268 0.581 -8.089 1.00 1.43 H new ATOM 0 HD12 LEU A 7 -14.373 -1.099 -7.511 1.00 1.43 H new ATOM 0 HD13 LEU A 7 -15.858 -0.190 -7.878 1.00 1.43 H new ATOM 0 HD21 LEU A 7 -14.857 2.468 -6.580 1.00 24.54 H new ATOM 0 HD22 LEU A 7 -16.485 1.819 -6.271 1.00 24.54 H new ATOM 0 HD23 LEU A 7 -15.388 2.152 -4.911 1.00 24.54 H new ATOM 90 N LEU A 8 -15.395 2.029 -2.773 1.00 32.51 N ATOM 91 CA LEU A 8 -14.543 3.099 -2.286 1.00 12.51 C ATOM 92 C LEU A 8 -13.704 2.584 -1.114 1.00 25.21 C ATOM 93 O LEU A 8 -12.476 2.635 -1.156 1.00 44.51 O ATOM 94 CB LEU A 8 -15.377 4.336 -1.949 1.00 53.51 C ATOM 95 CG LEU A 8 -14.951 5.639 -2.631 1.00 73.13 C ATOM 96 CD1 LEU A 8 -15.144 5.553 -4.145 1.00 1.13 C ATOM 97 CD2 LEU A 8 -15.682 6.839 -2.026 1.00 71.31 C ATOM 0 H LEU A 8 -16.394 2.230 -2.736 1.00 32.51 H new ATOM 0 HA LEU A 8 -13.846 3.415 -3.062 1.00 12.51 H new ATOM 0 HB2 LEU A 8 -16.415 4.133 -2.214 1.00 53.51 H new ATOM 0 HB3 LEU A 8 -15.347 4.487 -0.870 1.00 53.51 H new ATOM 0 HG LEU A 8 -13.886 5.787 -2.451 1.00 73.13 H new ATOM 0 HD11 LEU A 8 -14.834 6.491 -4.605 1.00 1.13 H new ATOM 0 HD12 LEU A 8 -14.541 4.737 -4.543 1.00 1.13 H new ATOM 0 HD13 LEU A 8 -16.195 5.369 -4.368 1.00 1.13 H new ATOM 0 HD21 LEU A 8 -15.361 7.752 -2.528 1.00 71.31 H new ATOM 0 HD22 LEU A 8 -16.757 6.713 -2.155 1.00 71.31 H new ATOM 0 HD23 LEU A 8 -15.449 6.909 -0.963 1.00 71.31 H new ATOM 109 N GLY A 9 -14.401 2.100 -0.097 1.00 71.33 N ATOM 110 CA GLY A 9 -13.736 1.577 1.084 1.00 11.04 C ATOM 111 C GLY A 9 -12.786 0.435 0.718 1.00 12.43 C ATOM 112 O GLY A 9 -11.680 0.348 1.249 1.00 72.04 O ATOM 0 H GLY A 9 -15.420 2.059 -0.066 1.00 71.33 H new ATOM 0 HA2 GLY A 9 -13.179 2.375 1.575 1.00 11.04 H new ATOM 0 HA3 GLY A 9 -14.480 1.222 1.797 1.00 11.04 H new ATOM 116 N PHE A 10 -13.250 -0.411 -0.189 1.00 34.44 N ATOM 117 CA PHE A 10 -12.455 -1.544 -0.633 1.00 51.22 C ATOM 118 C PHE A 10 -11.096 -1.084 -1.167 1.00 64.44 C ATOM 119 O PHE A 10 -10.055 -1.514 -0.675 1.00 73.23 O ATOM 120 CB PHE A 10 -13.232 -2.220 -1.765 1.00 63.43 C ATOM 121 CG PHE A 10 -12.512 -3.418 -2.385 1.00 35.42 C ATOM 122 CD1 PHE A 10 -12.559 -3.619 -3.730 1.00 74.41 C ATOM 123 CD2 PHE A 10 -11.824 -4.283 -1.592 1.00 33.20 C ATOM 124 CE1 PHE A 10 -11.890 -4.732 -4.305 1.00 23.10 C ATOM 125 CE2 PHE A 10 -11.154 -5.396 -2.167 1.00 3.11 C ATOM 126 CZ PHE A 10 -11.202 -5.597 -3.512 1.00 44.12 C ATOM 0 H PHE A 10 -14.167 -0.335 -0.629 1.00 34.44 H new ATOM 0 HA PHE A 10 -12.277 -2.223 0.201 1.00 51.22 H new ATOM 0 HB2 PHE A 10 -14.199 -2.548 -1.383 1.00 63.43 H new ATOM 0 HB3 PHE A 10 -13.430 -1.485 -2.545 1.00 63.43 H new ATOM 0 HD1 PHE A 10 -13.105 -2.932 -4.360 1.00 74.41 H new ATOM 0 HD2 PHE A 10 -11.787 -4.124 -0.524 1.00 33.20 H new ATOM 0 HE1 PHE A 10 -11.928 -4.892 -5.372 1.00 23.10 H new ATOM 0 HE2 PHE A 10 -10.607 -6.082 -1.537 1.00 3.11 H new ATOM 0 HZ PHE A 10 -10.694 -6.443 -3.950 1.00 44.12 H new ATOM 136 N LEU A 11 -11.153 -0.217 -2.166 1.00 4.45 N ATOM 137 CA LEU A 11 -9.940 0.306 -2.773 1.00 41.02 C ATOM 138 C LEU A 11 -9.109 1.022 -1.706 1.00 71.34 C ATOM 139 O LEU A 11 -7.901 0.814 -1.612 1.00 50.13 O ATOM 140 CB LEU A 11 -10.279 1.183 -3.979 1.00 12.31 C ATOM 141 CG LEU A 11 -10.431 0.455 -5.317 1.00 62.05 C ATOM 142 CD1 LEU A 11 -9.105 0.427 -6.079 1.00 62.13 C ATOM 143 CD2 LEU A 11 -11.006 -0.948 -5.114 1.00 11.04 C ATOM 0 H LEU A 11 -12.020 0.137 -2.571 1.00 4.45 H new ATOM 0 HA LEU A 11 -9.328 -0.507 -3.162 1.00 41.02 H new ATOM 0 HB2 LEU A 11 -11.208 1.712 -3.768 1.00 12.31 H new ATOM 0 HB3 LEU A 11 -9.499 1.937 -4.085 1.00 12.31 H new ATOM 0 HG LEU A 11 -11.142 1.009 -5.930 1.00 62.05 H new ATOM 0 HD11 LEU A 11 -9.240 -0.096 -7.026 1.00 62.13 H new ATOM 0 HD12 LEU A 11 -8.775 1.448 -6.272 1.00 62.13 H new ATOM 0 HD13 LEU A 11 -8.354 -0.091 -5.483 1.00 62.13 H new ATOM 0 HD21 LEU A 11 -11.104 -1.444 -6.080 1.00 11.04 H new ATOM 0 HD22 LEU A 11 -10.338 -1.526 -4.475 1.00 11.04 H new ATOM 0 HD23 LEU A 11 -11.986 -0.875 -4.642 1.00 11.04 H new ATOM 155 N ALA A 12 -9.792 1.851 -0.928 1.00 52.21 N ATOM 156 CA ALA A 12 -9.131 2.599 0.129 1.00 24.01 C ATOM 157 C ALA A 12 -8.299 1.640 0.983 1.00 44.31 C ATOM 158 O ALA A 12 -7.243 2.015 1.491 1.00 32.33 O ATOM 159 CB ALA A 12 -10.178 3.352 0.950 1.00 63.45 C ATOM 0 H ALA A 12 -10.795 2.021 -1.009 1.00 52.21 H new ATOM 0 HA ALA A 12 -8.451 3.340 -0.291 1.00 24.01 H new ATOM 0 HB1 ALA A 12 -9.684 3.913 1.743 1.00 63.45 H new ATOM 0 HB2 ALA A 12 -10.722 4.040 0.303 1.00 63.45 H new ATOM 0 HB3 ALA A 12 -10.876 2.640 1.390 1.00 63.45 H new ATOM 165 N ALA A 13 -8.806 0.423 1.114 1.00 1.12 N ATOM 166 CA ALA A 13 -8.122 -0.591 1.898 1.00 11.14 C ATOM 167 C ALA A 13 -6.854 -1.029 1.161 1.00 53.12 C ATOM 168 O ALA A 13 -5.799 -1.186 1.775 1.00 4.03 O ATOM 169 CB ALA A 13 -9.074 -1.759 2.164 1.00 4.24 C ATOM 0 H ALA A 13 -9.682 0.116 0.691 1.00 1.12 H new ATOM 0 HA ALA A 13 -7.820 -0.190 2.865 1.00 11.14 H new ATOM 0 HB1 ALA A 13 -8.561 -2.520 2.752 1.00 4.24 H new ATOM 0 HB2 ALA A 13 -9.944 -1.401 2.714 1.00 4.24 H new ATOM 0 HB3 ALA A 13 -9.396 -2.189 1.216 1.00 4.24 H new ATOM 175 N GLY A 14 -6.998 -1.215 -0.142 1.00 24.44 N ATOM 176 CA GLY A 14 -5.879 -1.632 -0.968 1.00 15.24 C ATOM 177 C GLY A 14 -4.801 -0.548 -1.018 1.00 44.43 C ATOM 178 O GLY A 14 -3.613 -0.851 -1.116 1.00 1.45 O ATOM 0 H GLY A 14 -7.875 -1.084 -0.647 1.00 24.44 H new ATOM 0 HA2 GLY A 14 -5.454 -2.554 -0.572 1.00 15.24 H new ATOM 0 HA3 GLY A 14 -6.228 -1.849 -1.977 1.00 15.24 H new ATOM 182 N SER A 15 -5.254 0.696 -0.949 1.00 33.30 N ATOM 183 CA SER A 15 -4.343 1.828 -0.985 1.00 64.52 C ATOM 184 C SER A 15 -3.320 1.712 0.146 1.00 10.41 C ATOM 185 O SER A 15 -2.265 2.343 0.100 1.00 42.42 O ATOM 186 CB SER A 15 -5.105 3.151 -0.879 1.00 41.10 C ATOM 187 OG SER A 15 -5.914 3.394 -2.026 1.00 44.43 O ATOM 0 H SER A 15 -6.240 0.945 -0.868 1.00 33.30 H new ATOM 0 HA SER A 15 -3.820 1.817 -1.941 1.00 64.52 H new ATOM 0 HB2 SER A 15 -5.733 3.137 0.012 1.00 41.10 H new ATOM 0 HB3 SER A 15 -4.395 3.969 -0.756 1.00 41.10 H new ATOM 0 HG SER A 15 -6.604 2.701 -2.092 1.00 44.43 H new ATOM 193 N LYS A 16 -3.667 0.903 1.136 1.00 22.12 N ATOM 194 CA LYS A 16 -2.792 0.697 2.276 1.00 33.45 C ATOM 195 C LYS A 16 -1.503 0.019 1.809 1.00 33.05 C ATOM 196 O LYS A 16 -0.420 0.327 2.304 1.00 12.11 O ATOM 197 CB LYS A 16 -3.523 -0.069 3.382 1.00 63.13 C ATOM 198 CG LYS A 16 -4.760 0.699 3.854 1.00 5.32 C ATOM 199 CD LYS A 16 -4.363 1.989 4.575 1.00 3.02 C ATOM 200 CE LYS A 16 -3.504 1.687 5.804 1.00 15.55 C ATOM 201 NZ LYS A 16 -3.765 2.675 6.874 1.00 62.31 N ATOM 0 H LYS A 16 -4.543 0.382 1.172 1.00 22.12 H new ATOM 0 HA LYS A 16 -2.509 1.653 2.715 1.00 33.45 H new ATOM 0 HB2 LYS A 16 -3.819 -1.052 3.015 1.00 63.13 H new ATOM 0 HB3 LYS A 16 -2.849 -0.233 4.223 1.00 63.13 H new ATOM 0 HG2 LYS A 16 -5.393 0.936 2.999 1.00 5.32 H new ATOM 0 HG3 LYS A 16 -5.349 0.071 4.522 1.00 5.32 H new ATOM 0 HD2 LYS A 16 -3.813 2.637 3.893 1.00 3.02 H new ATOM 0 HD3 LYS A 16 -5.259 2.532 4.877 1.00 3.02 H new ATOM 0 HE2 LYS A 16 -3.720 0.682 6.168 1.00 15.55 H new ATOM 0 HE3 LYS A 16 -2.449 1.707 5.531 1.00 15.55 H new ATOM 0 HZ1 LYS A 16 -3.174 2.455 7.701 1.00 62.31 H new ATOM 0 HZ2 LYS A 16 -3.537 3.629 6.529 1.00 62.31 H new ATOM 0 HZ3 LYS A 16 -4.768 2.636 7.145 1.00 62.31 H new ATOM 214 N LYS A 17 -1.662 -0.893 0.860 1.00 1.42 N ATOM 215 CA LYS A 17 -0.524 -1.617 0.320 1.00 1.34 C ATOM 216 C LYS A 17 -0.225 -1.108 -1.092 1.00 14.12 C ATOM 217 O LYS A 17 0.863 -0.597 -1.353 1.00 21.10 O ATOM 218 CB LYS A 17 -0.766 -3.126 0.391 1.00 62.13 C ATOM 219 CG LYS A 17 0.391 -3.898 -0.246 1.00 24.03 C ATOM 220 CD LYS A 17 0.702 -5.171 0.544 1.00 65.21 C ATOM 221 CE LYS A 17 2.151 -5.174 1.032 1.00 5.40 C ATOM 222 NZ LYS A 17 3.052 -5.698 -0.021 1.00 64.24 N ATOM 0 H LYS A 17 -2.562 -1.147 0.452 1.00 1.42 H new ATOM 0 HA LYS A 17 0.366 -1.432 0.922 1.00 1.34 H new ATOM 0 HB2 LYS A 17 -0.882 -3.431 1.431 1.00 62.13 H new ATOM 0 HB3 LYS A 17 -1.697 -3.373 -0.119 1.00 62.13 H new ATOM 0 HG2 LYS A 17 0.138 -4.157 -1.274 1.00 24.03 H new ATOM 0 HG3 LYS A 17 1.277 -3.265 -0.286 1.00 24.03 H new ATOM 0 HD2 LYS A 17 0.027 -5.248 1.397 1.00 65.21 H new ATOM 0 HD3 LYS A 17 0.524 -6.045 -0.083 1.00 65.21 H new ATOM 0 HE2 LYS A 17 2.451 -4.162 1.305 1.00 5.40 H new ATOM 0 HE3 LYS A 17 2.237 -5.786 1.930 1.00 5.40 H new ATOM 0 HZ1 LYS A 17 4.032 -5.693 0.327 1.00 64.24 H new ATOM 0 HZ2 LYS A 17 2.775 -6.671 -0.262 1.00 64.24 H new ATOM 0 HZ3 LYS A 17 2.982 -5.098 -0.868 1.00 64.24 H new HETATM 235 C1 ACA A 18 -2.695 0.660 -8.511 1.00 30.41 C HETATM 236 O1 ACA A 18 -3.804 0.540 -9.029 1.00 31.24 O HETATM 237 C2 ACA A 18 -2.595 -0.588 -7.720 1.00 65.41 C HETATM 238 C3 ACA A 18 -1.779 -0.352 -6.447 1.00 2.51 C HETATM 239 C4 ACA A 18 -1.590 -1.654 -5.668 1.00 71.12 C HETATM 240 C5 ACA A 18 -2.104 -1.513 -4.233 1.00 32.35 C HETATM 241 C6 ACA A 18 -1.065 -0.830 -3.343 1.00 13.24 C HETATM 242 N6 ACA A 18 -1.208 -1.267 -1.964 1.00 25.41 N HETATM 0 HN61 ACA A 18 -1.932 -1.941 -1.715 1.00 25.41 H new HETATM 0 H62 ACA A 18 -0.062 -1.062 -3.702 1.00 13.24 H new HETATM 0 H61 ACA A 18 -1.183 0.252 -3.402 1.00 13.24 H new HETATM 0 H52 ACA A 18 -3.028 -0.935 -4.229 1.00 32.35 H new HETATM 0 H51 ACA A 18 -2.342 -2.497 -3.830 1.00 32.35 H new HETATM 0 H42 ACA A 18 -2.120 -2.463 -6.170 1.00 71.12 H new HETATM 0 H41 ACA A 18 -0.534 -1.925 -5.655 1.00 71.12 H new HETATM 0 H32 ACA A 18 -0.806 0.065 -6.707 1.00 2.51 H new HETATM 0 H31 ACA A 18 -2.283 0.382 -5.818 1.00 2.51 H new HETATM 0 H22 ACA A 18 -3.593 -0.941 -7.459 1.00 65.41 H new HETATM 0 H21 ACA A 18 -2.127 -1.369 -8.319 1.00 65.41 H new ATOM 254 N LYS A 19 -2.301 1.719 -7.819 1.00 23.25 N ATOM 255 CA LYS A 19 -3.186 2.854 -7.619 1.00 13.22 C ATOM 256 C LYS A 19 -3.023 3.834 -8.782 1.00 15.52 C ATOM 257 O LYS A 19 -3.977 4.107 -9.507 1.00 44.31 O ATOM 258 CB LYS A 19 -2.947 3.484 -6.245 1.00 34.11 C ATOM 259 CG LYS A 19 -3.810 4.733 -6.057 1.00 71.12 C ATOM 260 CD LYS A 19 -4.086 4.990 -4.575 1.00 70.40 C ATOM 261 CE LYS A 19 -2.934 5.761 -3.928 1.00 62.02 C ATOM 262 NZ LYS A 19 -2.940 7.172 -4.375 1.00 33.02 N ATOM 0 HA LYS A 19 -4.227 2.530 -7.619 1.00 13.22 H new ATOM 0 HB2 LYS A 19 -3.175 2.759 -5.464 1.00 34.11 H new ATOM 0 HB3 LYS A 19 -1.894 3.746 -6.139 1.00 34.11 H new ATOM 0 HG2 LYS A 19 -3.306 5.596 -6.492 1.00 71.12 H new ATOM 0 HG3 LYS A 19 -4.753 4.612 -6.591 1.00 71.12 H new ATOM 0 HD2 LYS A 19 -5.012 5.554 -4.467 1.00 70.40 H new ATOM 0 HD3 LYS A 19 -4.229 4.041 -4.058 1.00 70.40 H new ATOM 0 HE2 LYS A 19 -3.023 5.717 -2.843 1.00 62.02 H new ATOM 0 HE3 LYS A 19 -1.984 5.294 -4.189 1.00 62.02 H new ATOM 0 HZ1 LYS A 19 -2.398 7.752 -3.702 1.00 33.02 H new ATOM 0 HZ2 LYS A 19 -2.506 7.239 -5.318 1.00 33.02 H new ATOM 0 HZ3 LYS A 19 -3.920 7.518 -4.419 1.00 33.02 H new ATOM 275 N ASN A 20 -1.804 4.336 -8.924 1.00 23.43 N ATOM 276 CA ASN A 20 -1.503 5.280 -9.987 1.00 21.03 C ATOM 277 C ASN A 20 -0.836 4.539 -11.147 1.00 53.21 C ATOM 278 O ASN A 20 -0.347 3.423 -10.977 1.00 34.15 O ATOM 279 CB ASN A 20 -0.540 6.366 -9.503 1.00 14.34 C ATOM 280 CG ASN A 20 -1.280 7.680 -9.247 1.00 15.20 C ATOM 281 OD1 ASN A 20 -1.088 8.673 -9.930 1.00 54.11 O ATOM 282 ND2 ASN A 20 -2.132 7.631 -8.228 1.00 43.00 N ATOM 0 H ASN A 20 -1.014 4.107 -8.321 1.00 23.43 H new ATOM 0 HA ASN A 20 -2.438 5.742 -10.302 1.00 21.03 H new ATOM 0 HB2 ASN A 20 -0.047 6.038 -8.588 1.00 14.34 H new ATOM 0 HB3 ASN A 20 0.241 6.523 -10.247 1.00 14.34 H new ATOM 0 HD21 ASN A 20 -2.674 8.458 -7.976 1.00 43.00 H new ATOM 0 HD22 ASN A 20 -2.244 6.767 -7.698 1.00 43.00 H new ATOM 289 N GLU A 21 -0.836 5.189 -12.302 1.00 73.01 N ATOM 290 CA GLU A 21 -0.237 4.606 -13.490 1.00 51.14 C ATOM 291 C GLU A 21 1.285 4.544 -13.340 1.00 2.40 C ATOM 292 O GLU A 21 1.923 3.613 -13.830 1.00 21.40 O ATOM 293 CB GLU A 21 -0.633 5.388 -14.744 1.00 22.35 C ATOM 294 CG GLU A 21 -0.069 6.809 -14.706 1.00 13.20 C ATOM 295 CD GLU A 21 -0.835 7.729 -15.658 1.00 1.34 C ATOM 296 OE1 GLU A 21 -1.953 7.395 -16.077 1.00 1.50 O ATOM 297 OE2 GLU A 21 -0.228 8.826 -15.962 1.00 64.00 O ATOM 0 H GLU A 21 -1.242 6.115 -12.440 1.00 73.01 H new ATOM 0 HA GLU A 21 -0.614 3.589 -13.602 1.00 51.14 H new ATOM 0 HB2 GLU A 21 -0.265 4.871 -15.630 1.00 22.35 H new ATOM 0 HB3 GLU A 21 -1.719 5.426 -14.825 1.00 22.35 H new ATOM 0 HG2 GLU A 21 -0.128 7.200 -13.690 1.00 13.20 H new ATOM 0 HG3 GLU A 21 0.986 6.793 -14.980 1.00 13.20 H new ATOM 305 N GLN A 22 1.823 5.547 -12.663 1.00 44.14 N ATOM 306 CA GLN A 22 3.257 5.619 -12.444 1.00 53.22 C ATOM 307 C GLN A 22 3.797 4.253 -12.014 1.00 70.21 C ATOM 308 O GLN A 22 4.818 3.796 -12.525 1.00 63.22 O ATOM 309 CB GLN A 22 3.601 6.694 -11.411 1.00 2.23 C ATOM 310 CG GLN A 22 3.973 8.011 -12.094 1.00 2.30 C ATOM 311 CD GLN A 22 5.309 7.890 -12.831 1.00 24.34 C ATOM 312 OE1 GLN A 22 5.844 6.811 -13.023 1.00 32.23 O ATOM 313 NE2 GLN A 22 5.814 9.053 -13.232 1.00 60.34 N ATOM 0 H GLN A 22 1.291 6.317 -12.258 1.00 44.14 H new ATOM 0 HA GLN A 22 3.735 5.898 -13.383 1.00 53.22 H new ATOM 0 HB2 GLN A 22 2.750 6.852 -10.748 1.00 2.23 H new ATOM 0 HB3 GLN A 22 4.430 6.355 -10.790 1.00 2.23 H new ATOM 0 HG2 GLN A 22 3.190 8.293 -12.798 1.00 2.30 H new ATOM 0 HG3 GLN A 22 4.035 8.805 -11.350 1.00 2.30 H new ATOM 0 HE21 GLN A 22 5.313 9.920 -13.038 1.00 60.34 H new ATOM 0 HE22 GLN A 22 6.702 9.078 -13.734 1.00 60.34 H new ATOM 322 N GLU A 23 3.087 3.639 -11.078 1.00 63.21 N ATOM 323 CA GLU A 23 3.481 2.335 -10.574 1.00 70.21 C ATOM 324 C GLU A 23 3.711 1.365 -11.734 1.00 13.50 C ATOM 325 O GLU A 23 4.722 0.665 -11.771 1.00 54.30 O ATOM 326 CB GLU A 23 2.439 1.786 -9.599 1.00 63.45 C ATOM 327 CG GLU A 23 3.107 1.036 -8.445 1.00 44.23 C ATOM 328 CD GLU A 23 2.617 -0.411 -8.375 1.00 72.23 C ATOM 329 OE1 GLU A 23 1.542 -0.676 -7.814 1.00 54.43 O ATOM 330 OE2 GLU A 23 3.396 -1.278 -8.929 1.00 63.33 O ATOM 0 H GLU A 23 2.241 4.021 -10.656 1.00 63.21 H new ATOM 0 HA GLU A 23 4.418 2.446 -10.028 1.00 70.21 H new ATOM 0 HB2 GLU A 23 1.838 2.605 -9.205 1.00 63.45 H new ATOM 0 HB3 GLU A 23 1.759 1.117 -10.127 1.00 63.45 H new ATOM 0 HG2 GLU A 23 4.189 1.051 -8.575 1.00 44.23 H new ATOM 0 HG3 GLU A 23 2.891 1.543 -7.504 1.00 44.23 H new ATOM 338 N LEU A 24 2.757 1.354 -12.653 1.00 0.33 N ATOM 339 CA LEU A 24 2.843 0.481 -13.811 1.00 4.34 C ATOM 340 C LEU A 24 4.156 0.749 -14.550 1.00 34.42 C ATOM 341 O LEU A 24 4.921 -0.177 -14.818 1.00 51.52 O ATOM 342 CB LEU A 24 1.601 0.634 -14.691 1.00 65.21 C ATOM 343 CG LEU A 24 0.665 -0.575 -14.747 1.00 31.31 C ATOM 344 CD1 LEU A 24 1.279 -1.706 -15.575 1.00 31.01 C ATOM 345 CD2 LEU A 24 0.283 -1.037 -13.339 1.00 31.35 C ATOM 0 H LEU A 24 1.920 1.936 -12.619 1.00 0.33 H new ATOM 0 HA LEU A 24 2.859 -0.564 -13.500 1.00 4.34 H new ATOM 0 HB2 LEU A 24 1.032 1.493 -14.335 1.00 65.21 H new ATOM 0 HB3 LEU A 24 1.925 0.865 -15.706 1.00 65.21 H new ATOM 0 HG LEU A 24 -0.255 -0.273 -15.248 1.00 31.31 H new ATOM 0 HD11 LEU A 24 0.593 -2.553 -15.599 1.00 31.01 H new ATOM 0 HD12 LEU A 24 1.459 -1.356 -16.592 1.00 31.01 H new ATOM 0 HD13 LEU A 24 2.222 -2.015 -15.125 1.00 31.01 H new ATOM 0 HD21 LEU A 24 -0.383 -1.897 -13.406 1.00 31.35 H new ATOM 0 HD22 LEU A 24 1.183 -1.317 -12.791 1.00 31.35 H new ATOM 0 HD23 LEU A 24 -0.224 -0.227 -12.815 1.00 31.35 H new ATOM 357 N LEU A 25 4.377 2.018 -14.857 1.00 2.22 N ATOM 358 CA LEU A 25 5.585 2.419 -15.559 1.00 31.12 C ATOM 359 C LEU A 25 6.804 2.106 -14.689 1.00 65.40 C ATOM 360 O LEU A 25 7.933 2.105 -15.174 1.00 13.12 O ATOM 361 CB LEU A 25 5.494 3.886 -15.986 1.00 22.12 C ATOM 362 CG LEU A 25 4.350 4.237 -16.940 1.00 51.41 C ATOM 363 CD1 LEU A 25 3.945 3.024 -17.779 1.00 64.32 C ATOM 364 CD2 LEU A 25 3.164 4.831 -16.179 1.00 12.33 C ATOM 0 H LEU A 25 3.740 2.783 -14.633 1.00 2.22 H new ATOM 0 HA LEU A 25 5.697 1.849 -16.481 1.00 31.12 H new ATOM 0 HB2 LEU A 25 5.395 4.499 -15.090 1.00 22.12 H new ATOM 0 HB3 LEU A 25 6.435 4.165 -16.460 1.00 22.12 H new ATOM 0 HG LEU A 25 4.703 5.002 -17.631 1.00 51.41 H new ATOM 0 HD11 LEU A 25 3.130 3.300 -18.448 1.00 64.32 H new ATOM 0 HD12 LEU A 25 4.799 2.686 -18.366 1.00 64.32 H new ATOM 0 HD13 LEU A 25 3.617 2.220 -17.121 1.00 64.32 H new ATOM 0 HD21 LEU A 25 2.365 5.071 -16.881 1.00 12.33 H new ATOM 0 HD22 LEU A 25 2.801 4.107 -15.449 1.00 12.33 H new ATOM 0 HD23 LEU A 25 3.480 5.738 -15.664 1.00 12.33 H new ATOM 376 N GLU A 26 6.532 1.849 -13.418 1.00 32.34 N ATOM 377 CA GLU A 26 7.593 1.535 -12.475 1.00 63.43 C ATOM 378 C GLU A 26 8.017 0.072 -12.621 1.00 72.41 C ATOM 379 O GLU A 26 9.207 -0.236 -12.616 1.00 55.21 O ATOM 380 CB GLU A 26 7.158 1.840 -11.040 1.00 33.43 C ATOM 381 CG GLU A 26 8.243 2.617 -10.292 1.00 41.20 C ATOM 382 CD GLU A 26 8.163 2.359 -8.786 1.00 22.30 C ATOM 383 OE1 GLU A 26 7.456 3.084 -8.070 1.00 62.41 O ATOM 384 OE2 GLU A 26 8.867 1.364 -8.365 1.00 54.41 O ATOM 0 H GLU A 26 5.593 1.852 -13.019 1.00 32.34 H new ATOM 0 HA GLU A 26 8.453 2.166 -12.701 1.00 63.43 H new ATOM 0 HB2 GLU A 26 6.234 2.418 -11.051 1.00 33.43 H new ATOM 0 HB3 GLU A 26 6.945 0.909 -10.515 1.00 33.43 H new ATOM 0 HG2 GLU A 26 9.225 2.325 -10.663 1.00 41.20 H new ATOM 0 HG3 GLU A 26 8.132 3.683 -10.488 1.00 41.20 H new ATOM 392 N LEU A 27 7.019 -0.790 -12.748 1.00 62.51 N ATOM 393 CA LEU A 27 7.274 -2.214 -12.895 1.00 73.24 C ATOM 394 C LEU A 27 7.690 -2.506 -14.338 1.00 30.50 C ATOM 395 O LEU A 27 8.420 -3.462 -14.595 1.00 54.53 O ATOM 396 CB LEU A 27 6.065 -3.025 -12.426 1.00 61.43 C ATOM 397 CG LEU A 27 5.752 -2.961 -10.929 1.00 22.14 C ATOM 398 CD1 LEU A 27 6.151 -4.263 -10.230 1.00 61.24 C ATOM 399 CD2 LEU A 27 6.410 -1.739 -10.285 1.00 61.33 C ATOM 0 H LEU A 27 6.033 -0.531 -12.752 1.00 62.51 H new ATOM 0 HA LEU A 27 8.102 -2.522 -12.256 1.00 73.24 H new ATOM 0 HB2 LEU A 27 5.188 -2.682 -12.975 1.00 61.43 H new ATOM 0 HB3 LEU A 27 6.225 -4.068 -12.699 1.00 61.43 H new ATOM 0 HG LEU A 27 4.675 -2.848 -10.808 1.00 22.14 H new ATOM 0 HD11 LEU A 27 5.918 -4.192 -9.168 1.00 61.24 H new ATOM 0 HD12 LEU A 27 5.599 -5.095 -10.667 1.00 61.24 H new ATOM 0 HD13 LEU A 27 7.221 -4.431 -10.357 1.00 61.24 H new ATOM 0 HD21 LEU A 27 6.173 -1.716 -9.221 1.00 61.33 H new ATOM 0 HD22 LEU A 27 7.491 -1.797 -10.414 1.00 61.33 H new ATOM 0 HD23 LEU A 27 6.036 -0.832 -10.760 1.00 61.33 H new ATOM 411 N ASP A 28 7.206 -1.667 -15.241 1.00 24.31 N ATOM 412 CA ASP A 28 7.517 -1.824 -16.652 1.00 53.54 C ATOM 413 C ASP A 28 9.025 -1.659 -16.857 1.00 24.34 C ATOM 414 O ASP A 28 9.570 -2.108 -17.864 1.00 12.11 O ATOM 415 CB ASP A 28 6.807 -0.763 -17.494 1.00 23.21 C ATOM 416 CG ASP A 28 5.538 -1.244 -18.203 1.00 75.01 C ATOM 417 OD1 ASP A 28 4.895 -0.486 -18.945 1.00 73.43 O ATOM 418 OD2 ASP A 28 5.212 -2.469 -17.964 1.00 24.14 O ATOM 0 H ASP A 28 6.600 -0.876 -15.023 1.00 24.31 H new ATOM 0 HA ASP A 28 7.183 -2.814 -16.964 1.00 53.54 H new ATOM 0 HB2 ASP A 28 6.549 0.078 -16.850 1.00 23.21 H new ATOM 0 HB3 ASP A 28 7.504 -0.389 -18.243 1.00 23.21 H new ATOM 424 N LYS A 29 9.655 -1.013 -15.887 1.00 32.20 N ATOM 425 CA LYS A 29 11.089 -0.784 -15.949 1.00 64.30 C ATOM 426 C LYS A 29 11.823 -2.068 -15.559 1.00 3.21 C ATOM 427 O LYS A 29 13.053 -2.106 -15.556 1.00 30.14 O ATOM 428 CB LYS A 29 11.474 0.429 -15.098 1.00 21.25 C ATOM 429 CG LYS A 29 10.908 1.719 -15.695 1.00 34.51 C ATOM 430 CD LYS A 29 11.787 2.226 -16.840 1.00 31.43 C ATOM 431 CE LYS A 29 11.157 3.444 -17.517 1.00 21.34 C ATOM 432 NZ LYS A 29 12.168 4.505 -17.720 1.00 13.20 N ATOM 0 H LYS A 29 9.199 -0.641 -15.054 1.00 32.20 H new ATOM 0 HA LYS A 29 11.393 -0.540 -16.967 1.00 64.30 H new ATOM 0 HB2 LYS A 29 11.100 0.299 -14.083 1.00 21.25 H new ATOM 0 HB3 LYS A 29 12.560 0.501 -15.031 1.00 21.25 H new ATOM 0 HG2 LYS A 29 9.896 1.542 -16.060 1.00 34.51 H new ATOM 0 HG3 LYS A 29 10.838 2.482 -14.920 1.00 34.51 H new ATOM 0 HD2 LYS A 29 12.773 2.488 -16.457 1.00 31.43 H new ATOM 0 HD3 LYS A 29 11.930 1.432 -17.573 1.00 31.43 H new ATOM 0 HE2 LYS A 29 10.729 3.153 -18.476 1.00 21.34 H new ATOM 0 HE3 LYS A 29 10.339 3.825 -16.905 1.00 21.34 H new ATOM 0 HZ1 LYS A 29 11.723 5.325 -18.181 1.00 13.20 H new ATOM 0 HZ2 LYS A 29 12.557 4.794 -16.800 1.00 13.20 H new ATOM 0 HZ3 LYS A 29 12.935 4.143 -18.322 1.00 13.20 H new ATOM 445 N TRP A 30 11.040 -3.087 -15.240 1.00 72.34 N ATOM 446 CA TRP A 30 11.601 -4.369 -14.849 1.00 44.04 C ATOM 447 C TRP A 30 12.784 -4.668 -15.772 1.00 3.42 C ATOM 448 O TRP A 30 13.881 -4.968 -15.304 1.00 20.11 O ATOM 449 CB TRP A 30 10.533 -5.465 -14.872 1.00 2.01 C ATOM 450 CG TRP A 30 9.782 -5.629 -13.549 1.00 4.20 C ATOM 451 CD1 TRP A 30 8.457 -5.675 -13.353 1.00 52.34 C ATOM 452 CD2 TRP A 30 10.369 -5.768 -12.238 1.00 31.33 C ATOM 453 NE1 TRP A 30 8.148 -5.832 -12.018 1.00 74.25 N ATOM 454 CE2 TRP A 30 9.349 -5.891 -11.318 1.00 64.32 C ATOM 455 CE3 TRP A 30 11.719 -5.790 -11.843 1.00 24.35 C ATOM 456 CZ2 TRP A 30 9.569 -6.045 -9.944 1.00 54.53 C ATOM 457 CZ3 TRP A 30 11.923 -5.944 -10.467 1.00 23.31 C ATOM 458 CH2 TRP A 30 10.906 -6.069 -9.527 1.00 5.24 C ATOM 0 H TRP A 30 10.021 -3.051 -15.244 1.00 72.34 H new ATOM 0 HA TRP A 30 11.961 -4.335 -13.821 1.00 44.04 H new ATOM 0 HB2 TRP A 30 9.815 -5.242 -15.661 1.00 2.01 H new ATOM 0 HB3 TRP A 30 11.005 -6.413 -15.130 1.00 2.01 H new ATOM 0 HD1 TRP A 30 7.723 -5.599 -14.142 1.00 52.34 H new ATOM 0 HE1 TRP A 30 7.212 -5.894 -11.618 1.00 74.25 H new ATOM 0 HE3 TRP A 30 12.533 -5.696 -12.546 1.00 24.35 H new ATOM 0 HZ2 TRP A 30 8.752 -6.140 -9.244 1.00 54.53 H new ATOM 0 HZ3 TRP A 30 12.942 -5.967 -10.110 1.00 23.31 H new ATOM 0 HH2 TRP A 30 11.146 -6.184 -8.480 1.00 5.24 H new ATOM 469 N ALA A 31 12.521 -4.575 -17.068 1.00 64.23 N ATOM 470 CA ALA A 31 13.550 -4.831 -18.061 1.00 34.22 C ATOM 471 C ALA A 31 14.596 -3.716 -18.005 1.00 20.42 C ATOM 472 O ALA A 31 15.790 -3.972 -18.156 1.00 62.24 O ATOM 473 CB ALA A 31 12.906 -4.960 -19.443 1.00 72.03 C ATOM 0 H ALA A 31 11.610 -4.326 -17.453 1.00 64.23 H new ATOM 0 HA ALA A 31 14.060 -5.771 -17.851 1.00 34.22 H new ATOM 0 HB1 ALA A 31 13.678 -5.152 -20.188 1.00 72.03 H new ATOM 0 HB2 ALA A 31 12.194 -5.786 -19.437 1.00 72.03 H new ATOM 0 HB3 ALA A 31 12.386 -4.034 -19.690 1.00 72.03 H new ATOM 479 N SER A 32 14.109 -2.503 -17.788 1.00 5.32 N ATOM 480 CA SER A 32 14.987 -1.347 -17.712 1.00 23.51 C ATOM 481 C SER A 32 16.192 -1.664 -16.825 1.00 35.22 C ATOM 482 O SER A 32 17.251 -1.055 -16.970 1.00 71.23 O ATOM 483 CB SER A 32 14.240 -0.124 -17.176 1.00 50.03 C ATOM 484 OG SER A 32 14.942 1.087 -17.440 1.00 52.31 O ATOM 0 H SER A 32 13.118 -2.295 -17.662 1.00 5.32 H new ATOM 0 HA SER A 32 15.336 -1.114 -18.718 1.00 23.51 H new ATOM 0 HB2 SER A 32 13.250 -0.076 -17.630 1.00 50.03 H new ATOM 0 HB3 SER A 32 14.093 -0.231 -16.101 1.00 50.03 H new ATOM 0 HG SER A 32 14.874 1.680 -16.663 1.00 52.31 H new ATOM 490 N LEU A 33 15.992 -2.618 -15.927 1.00 44.40 N ATOM 491 CA LEU A 33 17.050 -3.023 -15.017 1.00 21.41 C ATOM 492 C LEU A 33 18.107 -3.814 -15.791 1.00 61.32 C ATOM 493 O LEU A 33 19.266 -3.406 -15.860 1.00 72.43 O ATOM 494 CB LEU A 33 16.468 -3.781 -13.822 1.00 41.44 C ATOM 495 CG LEU A 33 16.508 -3.047 -12.480 1.00 70.31 C ATOM 496 CD1 LEU A 33 15.649 -3.766 -11.437 1.00 13.22 C ATOM 497 CD2 LEU A 33 17.949 -2.856 -12.002 1.00 11.02 C ATOM 0 H LEU A 33 15.113 -3.122 -15.810 1.00 44.40 H new ATOM 0 HA LEU A 33 17.548 -2.148 -14.598 1.00 21.41 H new ATOM 0 HB2 LEU A 33 15.431 -4.032 -14.046 1.00 41.44 H new ATOM 0 HB3 LEU A 33 17.008 -4.722 -13.716 1.00 41.44 H new ATOM 0 HG LEU A 33 16.081 -2.054 -12.621 1.00 70.31 H new ATOM 0 HD11 LEU A 33 15.694 -3.224 -10.492 1.00 13.22 H new ATOM 0 HD12 LEU A 33 14.616 -3.807 -11.782 1.00 13.22 H new ATOM 0 HD13 LEU A 33 16.024 -4.779 -11.293 1.00 13.22 H new ATOM 0 HD21 LEU A 33 17.949 -2.332 -11.046 1.00 11.02 H new ATOM 0 HD22 LEU A 33 18.425 -3.829 -11.882 1.00 11.02 H new ATOM 0 HD23 LEU A 33 18.502 -2.270 -12.737 1.00 11.02 H new ATOM 509 N TRP A 34 17.670 -4.931 -16.354 1.00 43.54 N ATOM 510 CA TRP A 34 18.564 -5.783 -17.119 1.00 45.53 C ATOM 511 C TRP A 34 18.120 -5.737 -18.583 1.00 15.44 C ATOM 512 O TRP A 34 18.903 -5.378 -19.462 1.00 50.30 O ATOM 513 CB TRP A 34 18.595 -7.201 -16.547 1.00 44.14 C ATOM 514 CG TRP A 34 17.269 -7.954 -16.681 1.00 74.23 C ATOM 515 CD1 TRP A 34 16.264 -8.018 -15.797 1.00 70.02 C ATOM 516 CD2 TRP A 34 16.844 -8.752 -17.804 1.00 24.35 C ATOM 517 NE1 TRP A 34 15.226 -8.797 -16.266 1.00 42.11 N ATOM 518 CE2 TRP A 34 15.590 -9.258 -17.526 1.00 45.31 C ATOM 519 CE3 TRP A 34 17.496 -9.039 -19.016 1.00 14.30 C ATOM 520 CZ2 TRP A 34 14.881 -10.079 -18.410 1.00 24.23 C ATOM 521 CZ3 TRP A 34 16.775 -9.862 -19.889 1.00 42.32 C ATOM 522 CH2 TRP A 34 15.512 -10.378 -19.623 1.00 4.43 C ATOM 0 H TRP A 34 16.708 -5.266 -16.295 1.00 43.54 H new ATOM 0 HA TRP A 34 19.591 -5.423 -17.054 1.00 45.53 H new ATOM 0 HB2 TRP A 34 19.376 -7.769 -17.052 1.00 44.14 H new ATOM 0 HB3 TRP A 34 18.868 -7.151 -15.493 1.00 44.14 H new ATOM 0 HD1 TRP A 34 16.266 -7.522 -14.838 1.00 70.02 H new ATOM 0 HE1 TRP A 34 14.353 -8.998 -15.778 1.00 42.11 H new ATOM 0 HE3 TRP A 34 18.477 -8.655 -19.255 1.00 14.30 H new ATOM 0 HZ2 TRP A 34 13.900 -10.461 -18.169 1.00 24.23 H new ATOM 0 HZ3 TRP A 34 17.232 -10.114 -20.835 1.00 42.32 H new ATOM 0 HH2 TRP A 34 15.019 -11.007 -20.350 1.00 4.43 H new ATOM 533 N ASN A 35 16.867 -6.108 -18.801 1.00 53.42 N ATOM 534 CA ASN A 35 16.311 -6.114 -20.142 1.00 1.15 C ATOM 535 C ASN A 35 17.310 -6.766 -21.101 1.00 63.13 C ATOM 536 O ASN A 35 16.923 -7.538 -21.977 1.00 44.41 O ATOM 537 CB ASN A 35 16.042 -4.690 -20.635 1.00 13.52 C ATOM 538 CG ASN A 35 16.068 -4.625 -22.164 1.00 51.01 C ATOM 539 OD1 ASN A 35 17.104 -4.454 -22.786 1.00 24.24 O ATOM 540 ND2 ASN A 35 14.874 -4.769 -22.731 1.00 34.13 N ATOM 0 H ASN A 35 16.221 -6.407 -18.070 1.00 53.42 H new ATOM 0 HA ASN A 35 15.373 -6.669 -20.115 1.00 1.15 H new ATOM 0 HB2 ASN A 35 15.072 -4.352 -20.269 1.00 13.52 H new ATOM 0 HB3 ASN A 35 16.791 -4.012 -20.226 1.00 13.52 H new ATOM 0 HD21 ASN A 35 14.785 -4.740 -23.747 1.00 34.13 H new ATOM 0 HD22 ASN A 35 14.047 -4.909 -22.150 1.00 34.13 H new TER 547 ASN A 35