USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=2 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 NoAdj-H: A 18 ACAHN61 : 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 180:sc= 0 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.0504 K(o=-0.05,f=-1.6!) USER MOD Single : A 22 GLN : amide:sc= -0.0105 X(o=-0.011,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -64:sc= -5.6! USER MOD Single : A 35 ASN : amide:sc= -0.738 X(o=-0.74,f=-0.56) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -29.035 -1.856 -7.164 1.00 62.45 N ATOM 2 CA GLY A 1 -28.491 -1.491 -8.461 1.00 2.10 C ATOM 3 C GLY A 1 -26.964 -1.594 -8.463 1.00 30.41 C ATOM 4 O GLY A 1 -26.405 -2.572 -8.955 1.00 24.13 O ATOM 0 H1 GLY A 1 -30.072 -1.778 -7.188 1.00 62.45 H new ATOM 0 H2 GLY A 1 -28.766 -2.835 -6.938 1.00 62.45 H new ATOM 0 H3 GLY A 1 -28.657 -1.216 -6.436 1.00 62.45 H new ATOM 0 HA2 GLY A 1 -28.904 -2.144 -9.230 1.00 2.10 H new ATOM 0 HA3 GLY A 1 -28.791 -0.474 -8.712 1.00 2.10 H new ATOM 8 N ILE A 2 -26.333 -0.569 -7.908 1.00 22.30 N ATOM 9 CA ILE A 2 -24.882 -0.531 -7.840 1.00 24.44 C ATOM 10 C ILE A 2 -24.454 -0.045 -6.454 1.00 63.11 C ATOM 11 O ILE A 2 -25.252 0.540 -5.723 1.00 41.12 O ATOM 12 CB ILE A 2 -24.314 0.304 -8.989 1.00 10.24 C ATOM 13 CG1 ILE A 2 -25.101 1.603 -9.163 1.00 41.42 C ATOM 14 CG2 ILE A 2 -24.257 -0.511 -10.283 1.00 33.43 C ATOM 15 CD1 ILE A 2 -24.834 2.567 -8.006 1.00 15.52 C ATOM 0 H ILE A 2 -26.800 0.241 -7.501 1.00 22.30 H new ATOM 0 HA ILE A 2 -24.467 -1.531 -7.969 1.00 24.44 H new ATOM 0 HB ILE A 2 -23.290 0.580 -8.738 1.00 10.24 H new ATOM 0 HG12 ILE A 2 -24.825 2.076 -10.106 1.00 41.42 H new ATOM 0 HG13 ILE A 2 -26.167 1.382 -9.218 1.00 41.42 H new ATOM 0 HG21 ILE A 2 -23.850 0.106 -11.084 1.00 33.43 H new ATOM 0 HG22 ILE A 2 -23.619 -1.383 -10.136 1.00 33.43 H new ATOM 0 HG23 ILE A 2 -25.262 -0.838 -10.552 1.00 33.43 H new ATOM 0 HD11 ILE A 2 -25.406 3.482 -8.156 1.00 15.52 H new ATOM 0 HD12 ILE A 2 -25.134 2.101 -7.067 1.00 15.52 H new ATOM 0 HD13 ILE A 2 -23.771 2.806 -7.969 1.00 15.52 H new ATOM 27 N GLY A 3 -23.194 -0.304 -6.134 1.00 43.11 N ATOM 28 CA GLY A 3 -22.650 0.101 -4.849 1.00 63.13 C ATOM 29 C GLY A 3 -21.304 0.807 -5.022 1.00 1.41 C ATOM 30 O GLY A 3 -20.316 0.430 -4.393 1.00 60.03 O ATOM 0 H GLY A 3 -22.535 -0.789 -6.743 1.00 43.11 H new ATOM 0 HA2 GLY A 3 -23.352 0.766 -4.346 1.00 63.13 H new ATOM 0 HA3 GLY A 3 -22.527 -0.774 -4.210 1.00 63.13 H new ATOM 34 N ALA A 4 -21.307 1.818 -5.878 1.00 61.21 N ATOM 35 CA ALA A 4 -20.098 2.580 -6.141 1.00 60.40 C ATOM 36 C ALA A 4 -19.531 3.100 -4.819 1.00 72.14 C ATOM 37 O ALA A 4 -18.315 3.170 -4.647 1.00 35.43 O ATOM 38 CB ALA A 4 -20.410 3.709 -7.127 1.00 73.51 C ATOM 0 H ALA A 4 -22.128 2.127 -6.399 1.00 61.21 H new ATOM 0 HA ALA A 4 -19.338 1.948 -6.600 1.00 60.40 H new ATOM 0 HB1 ALA A 4 -19.503 4.281 -7.324 1.00 73.51 H new ATOM 0 HB2 ALA A 4 -20.782 3.285 -8.060 1.00 73.51 H new ATOM 0 HB3 ALA A 4 -21.167 4.366 -6.700 1.00 73.51 H new ATOM 44 N PHE A 5 -20.438 3.454 -3.920 1.00 11.43 N ATOM 45 CA PHE A 5 -20.043 3.966 -2.619 1.00 10.23 C ATOM 46 C PHE A 5 -19.252 2.916 -1.835 1.00 55.11 C ATOM 47 O PHE A 5 -18.149 3.189 -1.364 1.00 35.41 O ATOM 48 CB PHE A 5 -21.329 4.293 -1.858 1.00 14.42 C ATOM 49 CG PHE A 5 -22.311 5.164 -2.642 1.00 71.41 C ATOM 50 CD1 PHE A 5 -23.613 4.786 -2.756 1.00 33.20 C ATOM 51 CD2 PHE A 5 -21.884 6.315 -3.225 1.00 60.02 C ATOM 52 CE1 PHE A 5 -24.526 5.595 -3.484 1.00 71.00 C ATOM 53 CE2 PHE A 5 -22.796 7.124 -3.953 1.00 42.13 C ATOM 54 CZ PHE A 5 -24.098 6.747 -4.067 1.00 40.32 C ATOM 0 H PHE A 5 -21.446 3.396 -4.067 1.00 11.43 H new ATOM 0 HA PHE A 5 -19.409 4.844 -2.741 1.00 10.23 H new ATOM 0 HB2 PHE A 5 -21.824 3.361 -1.584 1.00 14.42 H new ATOM 0 HB3 PHE A 5 -21.070 4.801 -0.929 1.00 14.42 H new ATOM 0 HD1 PHE A 5 -23.952 3.871 -2.293 1.00 33.20 H new ATOM 0 HD2 PHE A 5 -20.850 6.615 -3.135 1.00 60.02 H new ATOM 0 HE1 PHE A 5 -25.560 5.295 -3.575 1.00 71.00 H new ATOM 0 HE2 PHE A 5 -22.456 8.038 -4.416 1.00 42.13 H new ATOM 0 HZ PHE A 5 -24.792 7.362 -4.620 1.00 40.32 H new ATOM 64 N GLY A 6 -19.847 1.738 -1.718 1.00 15.12 N ATOM 65 CA GLY A 6 -19.213 0.647 -0.998 1.00 13.10 C ATOM 66 C GLY A 6 -17.895 0.245 -1.664 1.00 23.53 C ATOM 67 O GLY A 6 -17.022 -0.335 -1.020 1.00 30.34 O ATOM 0 H GLY A 6 -20.762 1.515 -2.110 1.00 15.12 H new ATOM 0 HA2 GLY A 6 -19.027 0.946 0.033 1.00 13.10 H new ATOM 0 HA3 GLY A 6 -19.885 -0.211 -0.965 1.00 13.10 H new ATOM 71 N LEU A 7 -17.794 0.568 -2.944 1.00 4.44 N ATOM 72 CA LEU A 7 -16.597 0.247 -3.704 1.00 5.11 C ATOM 73 C LEU A 7 -15.495 1.250 -3.361 1.00 71.12 C ATOM 74 O LEU A 7 -14.325 1.020 -3.663 1.00 70.31 O ATOM 75 CB LEU A 7 -16.917 0.172 -5.200 1.00 14.45 C ATOM 76 CG LEU A 7 -15.861 -0.504 -6.077 1.00 3.44 C ATOM 77 CD1 LEU A 7 -16.132 -2.005 -6.203 1.00 43.30 C ATOM 78 CD2 LEU A 7 -15.766 0.178 -7.443 1.00 3.21 C ATOM 0 H LEU A 7 -18.521 1.048 -3.475 1.00 4.44 H new ATOM 0 HA LEU A 7 -16.225 -0.740 -3.430 1.00 5.11 H new ATOM 0 HB2 LEU A 7 -17.859 -0.361 -5.324 1.00 14.45 H new ATOM 0 HB3 LEU A 7 -17.073 1.185 -5.569 1.00 14.45 H new ATOM 0 HG LEU A 7 -14.891 -0.392 -5.593 1.00 3.44 H new ATOM 0 HD11 LEU A 7 -15.367 -2.461 -6.831 1.00 43.30 H new ATOM 0 HD12 LEU A 7 -16.110 -2.463 -5.214 1.00 43.30 H new ATOM 0 HD13 LEU A 7 -17.112 -2.161 -6.653 1.00 43.30 H new ATOM 0 HD21 LEU A 7 -15.008 -0.321 -8.047 1.00 3.21 H new ATOM 0 HD22 LEU A 7 -16.730 0.118 -7.948 1.00 3.21 H new ATOM 0 HD23 LEU A 7 -15.491 1.224 -7.309 1.00 3.21 H new ATOM 90 N LEU A 8 -15.908 2.342 -2.734 1.00 55.50 N ATOM 91 CA LEU A 8 -14.969 3.381 -2.345 1.00 61.33 C ATOM 92 C LEU A 8 -14.072 2.859 -1.222 1.00 10.42 C ATOM 93 O LEU A 8 -13.018 3.430 -0.948 1.00 55.00 O ATOM 94 CB LEU A 8 -15.715 4.669 -1.988 1.00 73.21 C ATOM 95 CG LEU A 8 -15.112 5.966 -2.532 1.00 32.11 C ATOM 96 CD1 LEU A 8 -13.635 6.086 -2.151 1.00 31.34 C ATOM 97 CD2 LEU A 8 -15.324 6.078 -4.043 1.00 3.30 C ATOM 0 H LEU A 8 -16.879 2.530 -2.486 1.00 55.50 H new ATOM 0 HA LEU A 8 -14.317 3.637 -3.180 1.00 61.33 H new ATOM 0 HB2 LEU A 8 -16.738 4.586 -2.354 1.00 73.21 H new ATOM 0 HB3 LEU A 8 -15.770 4.745 -0.902 1.00 73.21 H new ATOM 0 HG LEU A 8 -15.633 6.805 -2.070 1.00 32.11 H new ATOM 0 HD11 LEU A 8 -13.231 7.016 -2.550 1.00 31.34 H new ATOM 0 HD12 LEU A 8 -13.538 6.084 -1.065 1.00 31.34 H new ATOM 0 HD13 LEU A 8 -13.083 5.243 -2.566 1.00 31.34 H new ATOM 0 HD21 LEU A 8 -14.886 7.009 -4.404 1.00 3.30 H new ATOM 0 HD22 LEU A 8 -14.846 5.235 -4.541 1.00 3.30 H new ATOM 0 HD23 LEU A 8 -16.392 6.071 -4.262 1.00 3.30 H new ATOM 109 N GLY A 9 -14.523 1.778 -0.602 1.00 13.04 N ATOM 110 CA GLY A 9 -13.774 1.172 0.486 1.00 23.23 C ATOM 111 C GLY A 9 -12.963 -0.027 -0.009 1.00 60.04 C ATOM 112 O GLY A 9 -12.180 -0.605 0.744 1.00 42.12 O ATOM 0 H GLY A 9 -15.398 1.306 -0.832 1.00 13.04 H new ATOM 0 HA2 GLY A 9 -13.105 1.911 0.928 1.00 23.23 H new ATOM 0 HA3 GLY A 9 -14.460 0.853 1.271 1.00 23.23 H new ATOM 116 N PHE A 10 -13.177 -0.366 -1.272 1.00 73.43 N ATOM 117 CA PHE A 10 -12.476 -1.486 -1.875 1.00 2.31 C ATOM 118 C PHE A 10 -11.041 -1.102 -2.240 1.00 52.20 C ATOM 119 O PHE A 10 -10.102 -1.837 -1.939 1.00 70.14 O ATOM 120 CB PHE A 10 -13.234 -1.851 -3.154 1.00 0.10 C ATOM 121 CG PHE A 10 -13.399 -3.357 -3.370 1.00 51.22 C ATOM 122 CD1 PHE A 10 -14.452 -4.013 -2.813 1.00 51.42 C ATOM 123 CD2 PHE A 10 -12.493 -4.039 -4.120 1.00 0.42 C ATOM 124 CE1 PHE A 10 -14.604 -5.410 -3.014 1.00 52.20 C ATOM 125 CE2 PHE A 10 -12.645 -5.436 -4.321 1.00 11.34 C ATOM 126 CZ PHE A 10 -13.698 -6.092 -3.764 1.00 11.44 C ATOM 0 H PHE A 10 -13.826 0.116 -1.894 1.00 73.43 H new ATOM 0 HA PHE A 10 -12.434 -2.320 -1.174 1.00 2.31 H new ATOM 0 HB2 PHE A 10 -14.220 -1.388 -3.124 1.00 0.10 H new ATOM 0 HB3 PHE A 10 -12.708 -1.427 -4.010 1.00 0.10 H new ATOM 0 HD1 PHE A 10 -15.172 -3.471 -2.218 1.00 51.42 H new ATOM 0 HD2 PHE A 10 -11.657 -3.518 -4.563 1.00 0.42 H new ATOM 0 HE1 PHE A 10 -15.440 -5.931 -2.571 1.00 52.20 H new ATOM 0 HE2 PHE A 10 -11.925 -5.978 -4.916 1.00 11.34 H new ATOM 0 HZ PHE A 10 -13.815 -7.155 -3.917 1.00 11.44 H new ATOM 136 N LEU A 11 -10.915 0.050 -2.883 1.00 43.33 N ATOM 137 CA LEU A 11 -9.610 0.540 -3.292 1.00 51.24 C ATOM 138 C LEU A 11 -8.857 1.056 -2.065 1.00 30.02 C ATOM 139 O LEU A 11 -7.657 0.824 -1.925 1.00 23.24 O ATOM 140 CB LEU A 11 -9.753 1.579 -4.407 1.00 24.20 C ATOM 141 CG LEU A 11 -10.347 1.073 -5.723 1.00 62.51 C ATOM 142 CD1 LEU A 11 -9.886 -0.354 -6.020 1.00 22.43 C ATOM 143 CD2 LEU A 11 -11.873 1.193 -5.717 1.00 62.53 C ATOM 0 H LEU A 11 -11.696 0.658 -3.131 1.00 43.33 H new ATOM 0 HA LEU A 11 -9.015 -0.269 -3.716 1.00 51.24 H new ATOM 0 HB2 LEU A 11 -10.377 2.394 -4.039 1.00 24.20 H new ATOM 0 HB3 LEU A 11 -8.769 1.999 -4.613 1.00 24.20 H new ATOM 0 HG LEU A 11 -9.977 1.705 -6.530 1.00 62.51 H new ATOM 0 HD11 LEU A 11 -10.323 -0.689 -6.961 1.00 22.43 H new ATOM 0 HD12 LEU A 11 -8.799 -0.377 -6.096 1.00 22.43 H new ATOM 0 HD13 LEU A 11 -10.207 -1.015 -5.215 1.00 22.43 H new ATOM 0 HD21 LEU A 11 -12.270 0.827 -6.664 1.00 62.53 H new ATOM 0 HD22 LEU A 11 -12.281 0.600 -4.898 1.00 62.53 H new ATOM 0 HD23 LEU A 11 -12.155 2.237 -5.585 1.00 62.53 H new ATOM 155 N ALA A 12 -9.592 1.748 -1.206 1.00 10.11 N ATOM 156 CA ALA A 12 -9.008 2.298 0.005 1.00 33.02 C ATOM 157 C ALA A 12 -8.272 1.189 0.761 1.00 53.41 C ATOM 158 O ALA A 12 -7.290 1.453 1.455 1.00 24.03 O ATOM 159 CB ALA A 12 -10.104 2.950 0.850 1.00 40.30 C ATOM 0 H ALA A 12 -10.587 1.940 -1.325 1.00 10.11 H new ATOM 0 HA ALA A 12 -8.279 3.071 -0.238 1.00 33.02 H new ATOM 0 HB1 ALA A 12 -9.666 3.363 1.759 1.00 40.30 H new ATOM 0 HB2 ALA A 12 -10.576 3.750 0.279 1.00 40.30 H new ATOM 0 HB3 ALA A 12 -10.852 2.203 1.115 1.00 40.30 H new ATOM 165 N ALA A 13 -8.773 -0.026 0.600 1.00 64.25 N ATOM 166 CA ALA A 13 -8.175 -1.175 1.258 1.00 32.15 C ATOM 167 C ALA A 13 -6.714 -1.304 0.823 1.00 4.12 C ATOM 168 O ALA A 13 -5.837 -1.554 1.647 1.00 1.33 O ATOM 169 CB ALA A 13 -8.992 -2.429 0.938 1.00 14.13 C ATOM 0 H ALA A 13 -9.587 -0.240 0.023 1.00 64.25 H new ATOM 0 HA ALA A 13 -8.186 -1.046 2.340 1.00 32.15 H new ATOM 0 HB1 ALA A 13 -8.544 -3.291 1.432 1.00 14.13 H new ATOM 0 HB2 ALA A 13 -10.014 -2.298 1.294 1.00 14.13 H new ATOM 0 HB3 ALA A 13 -9.001 -2.592 -0.140 1.00 14.13 H new ATOM 175 N GLY A 14 -6.498 -1.127 -0.472 1.00 64.44 N ATOM 176 CA GLY A 14 -5.159 -1.220 -1.028 1.00 32.04 C ATOM 177 C GLY A 14 -4.216 -0.219 -0.357 1.00 33.41 C ATOM 178 O GLY A 14 -3.025 -0.485 -0.207 1.00 24.24 O ATOM 0 H GLY A 14 -7.229 -0.919 -1.153 1.00 64.44 H new ATOM 0 HA2 GLY A 14 -4.776 -2.232 -0.895 1.00 32.04 H new ATOM 0 HA3 GLY A 14 -5.193 -1.030 -2.101 1.00 32.04 H new ATOM 182 N SER A 15 -4.786 0.914 0.029 1.00 21.11 N ATOM 183 CA SER A 15 -4.012 1.957 0.680 1.00 10.52 C ATOM 184 C SER A 15 -3.585 1.498 2.075 1.00 35.33 C ATOM 185 O SER A 15 -2.640 2.038 2.649 1.00 35.02 O ATOM 186 CB SER A 15 -4.808 3.259 0.771 1.00 65.13 C ATOM 187 OG SER A 15 -4.972 3.875 -0.504 1.00 13.11 O ATOM 0 H SER A 15 -5.774 1.132 -0.097 1.00 21.11 H new ATOM 0 HA SER A 15 -3.123 2.148 0.079 1.00 10.52 H new ATOM 0 HB2 SER A 15 -5.787 3.056 1.204 1.00 65.13 H new ATOM 0 HB3 SER A 15 -4.299 3.949 1.444 1.00 65.13 H new ATOM 0 HG SER A 15 -5.487 4.703 -0.404 1.00 13.11 H new ATOM 193 N LYS A 16 -4.302 0.506 2.582 1.00 10.05 N ATOM 194 CA LYS A 16 -4.009 -0.033 3.900 1.00 61.11 C ATOM 195 C LYS A 16 -2.639 -0.712 3.876 1.00 2.32 C ATOM 196 O LYS A 16 -2.027 -0.921 4.922 1.00 35.14 O ATOM 197 CB LYS A 16 -5.141 -0.949 4.369 1.00 65.41 C ATOM 198 CG LYS A 16 -6.491 -0.229 4.306 1.00 43.41 C ATOM 199 CD LYS A 16 -6.722 0.611 5.564 1.00 44.11 C ATOM 200 CE LYS A 16 -7.487 -0.185 6.622 1.00 21.51 C ATOM 201 NZ LYS A 16 -7.534 0.561 7.899 1.00 64.13 N ATOM 0 H LYS A 16 -5.086 0.061 2.104 1.00 10.05 H new ATOM 0 HA LYS A 16 -3.955 0.770 4.635 1.00 61.11 H new ATOM 0 HB2 LYS A 16 -5.172 -1.843 3.746 1.00 65.41 H new ATOM 0 HB3 LYS A 16 -4.948 -1.278 5.390 1.00 65.41 H new ATOM 0 HG2 LYS A 16 -6.525 0.412 3.425 1.00 43.41 H new ATOM 0 HG3 LYS A 16 -7.293 -0.960 4.200 1.00 43.41 H new ATOM 0 HD2 LYS A 16 -5.764 0.935 5.970 1.00 44.11 H new ATOM 0 HD3 LYS A 16 -7.280 1.511 5.307 1.00 44.11 H new ATOM 0 HE2 LYS A 16 -8.500 -0.385 6.273 1.00 21.51 H new ATOM 0 HE3 LYS A 16 -7.007 -1.151 6.776 1.00 21.51 H new ATOM 0 HZ1 LYS A 16 -8.057 0.006 8.606 1.00 64.13 H new ATOM 0 HZ2 LYS A 16 -6.566 0.730 8.238 1.00 64.13 H new ATOM 0 HZ3 LYS A 16 -8.013 1.472 7.751 1.00 64.13 H new ATOM 214 N LYS A 17 -2.196 -1.038 2.670 1.00 34.30 N ATOM 215 CA LYS A 17 -0.909 -1.689 2.496 1.00 11.20 C ATOM 216 C LYS A 17 0.178 -0.625 2.329 1.00 1.22 C ATOM 217 O LYS A 17 1.098 -0.540 3.140 1.00 35.14 O ATOM 218 CB LYS A 17 -0.968 -2.694 1.344 1.00 64.23 C ATOM 219 CG LYS A 17 0.429 -3.208 0.991 1.00 54.32 C ATOM 220 CD LYS A 17 0.416 -4.721 0.765 1.00 44.11 C ATOM 221 CE LYS A 17 1.771 -5.339 1.115 1.00 20.13 C ATOM 222 NZ LYS A 17 1.892 -5.528 2.578 1.00 24.35 N ATOM 0 H LYS A 17 -2.706 -0.863 1.804 1.00 34.30 H new ATOM 0 HA LYS A 17 -0.653 -2.270 3.382 1.00 11.20 H new ATOM 0 HB2 LYS A 17 -1.608 -3.532 1.620 1.00 64.23 H new ATOM 0 HB3 LYS A 17 -1.418 -2.224 0.470 1.00 64.23 H new ATOM 0 HG2 LYS A 17 0.789 -2.706 0.093 1.00 54.32 H new ATOM 0 HG3 LYS A 17 1.124 -2.963 1.794 1.00 54.32 H new ATOM 0 HD2 LYS A 17 -0.364 -5.177 1.375 1.00 44.11 H new ATOM 0 HD3 LYS A 17 0.173 -4.935 -0.276 1.00 44.11 H new ATOM 0 HE2 LYS A 17 1.882 -6.298 0.608 1.00 20.13 H new ATOM 0 HE3 LYS A 17 2.574 -4.695 0.758 1.00 20.13 H new ATOM 0 HZ1 LYS A 17 2.817 -5.948 2.798 1.00 24.35 H new ATOM 0 HZ2 LYS A 17 1.807 -4.608 3.055 1.00 24.35 H new ATOM 0 HZ3 LYS A 17 1.136 -6.161 2.910 1.00 24.35 H new HETATM 235 C1 ACA A 18 3.930 4.190 -2.378 1.00 72.04 C HETATM 236 O1 ACA A 18 2.781 4.559 -2.618 1.00 12.21 O HETATM 237 C2 ACA A 18 3.915 4.101 -0.901 1.00 11.21 C HETATM 238 C3 ACA A 18 3.469 2.708 -0.453 1.00 23.01 C HETATM 239 C4 ACA A 18 2.065 2.390 -0.969 1.00 43.31 C HETATM 240 C5 ACA A 18 1.569 1.051 -0.421 1.00 11.24 C HETATM 241 C6 ACA A 18 0.994 1.213 0.987 1.00 53.24 C HETATM 242 N6 ACA A 18 0.035 0.159 1.271 1.00 55.04 N HETATM 0 H62 ACA A 18 1.800 1.186 1.720 1.00 53.24 H new HETATM 0 H61 ACA A 18 0.511 2.186 1.079 1.00 53.24 H new HETATM 0 H52 ACA A 18 0.806 0.643 -1.084 1.00 11.24 H new HETATM 0 H51 ACA A 18 2.391 0.335 -0.402 1.00 11.24 H new HETATM 0 H42 ACA A 18 1.378 3.184 -0.676 1.00 43.31 H new HETATM 0 H41 ACA A 18 2.072 2.361 -2.059 1.00 43.31 H new HETATM 0 H32 ACA A 18 4.173 1.961 -0.820 1.00 23.01 H new HETATM 0 H31 ACA A 18 3.482 2.651 0.635 1.00 23.01 H new HETATM 0 H22 ACA A 18 4.909 4.315 -0.508 1.00 11.21 H new HETATM 0 H21 ACA A 18 3.241 4.854 -0.492 1.00 11.21 H new ATOM 254 N LYS A 19 5.021 4.793 -2.828 1.00 73.41 N ATOM 255 CA LYS A 19 4.930 5.976 -3.668 1.00 71.11 C ATOM 256 C LYS A 19 5.674 5.722 -4.981 1.00 65.51 C ATOM 257 O LYS A 19 5.107 5.165 -5.921 1.00 13.42 O ATOM 258 CB LYS A 19 5.424 7.210 -2.911 1.00 65.50 C ATOM 259 CG LYS A 19 4.454 7.590 -1.790 1.00 44.12 C ATOM 260 CD LYS A 19 3.918 9.010 -1.987 1.00 72.33 C ATOM 261 CE LYS A 19 4.980 10.052 -1.629 1.00 31.33 C ATOM 262 NZ LYS A 19 4.648 10.708 -0.345 1.00 52.41 N ATOM 0 HA LYS A 19 3.891 6.182 -3.924 1.00 71.11 H new ATOM 0 HB2 LYS A 19 6.411 7.013 -2.492 1.00 65.50 H new ATOM 0 HB3 LYS A 19 5.532 8.046 -3.602 1.00 65.50 H new ATOM 0 HG2 LYS A 19 3.624 6.884 -1.768 1.00 44.12 H new ATOM 0 HG3 LYS A 19 4.959 7.519 -0.827 1.00 44.12 H new ATOM 0 HD2 LYS A 19 3.606 9.144 -3.023 1.00 72.33 H new ATOM 0 HD3 LYS A 19 3.034 9.158 -1.366 1.00 72.33 H new ATOM 0 HE2 LYS A 19 5.957 9.575 -1.559 1.00 31.33 H new ATOM 0 HE3 LYS A 19 5.046 10.799 -2.420 1.00 31.33 H new ATOM 0 HZ1 LYS A 19 5.378 11.412 -0.116 1.00 52.41 H new ATOM 0 HZ2 LYS A 19 3.725 11.180 -0.425 1.00 52.41 H new ATOM 0 HZ3 LYS A 19 4.608 9.993 0.410 1.00 52.41 H new ATOM 275 N ASN A 20 6.929 6.142 -5.004 1.00 11.04 N ATOM 276 CA ASN A 20 7.756 5.967 -6.186 1.00 22.34 C ATOM 277 C ASN A 20 8.434 4.596 -6.130 1.00 12.24 C ATOM 278 O ASN A 20 8.624 4.037 -5.051 1.00 11.11 O ATOM 279 CB ASN A 20 8.850 7.033 -6.256 1.00 42.42 C ATOM 280 CG ASN A 20 8.272 8.383 -6.688 1.00 3.44 C ATOM 281 OD1 ASN A 20 7.186 8.476 -7.234 1.00 64.35 O ATOM 282 ND2 ASN A 20 9.059 9.420 -6.415 1.00 64.30 N ATOM 0 H ASN A 20 7.395 6.604 -4.223 1.00 11.04 H new ATOM 0 HA ASN A 20 7.114 6.052 -7.063 1.00 22.34 H new ATOM 0 HB2 ASN A 20 9.328 7.133 -5.282 1.00 42.42 H new ATOM 0 HB3 ASN A 20 9.622 6.722 -6.960 1.00 42.42 H new ATOM 0 HD21 ASN A 20 8.764 10.364 -6.665 1.00 64.30 H new ATOM 0 HD22 ASN A 20 9.957 9.271 -5.955 1.00 64.30 H new ATOM 289 N GLU A 21 8.783 4.095 -7.306 1.00 72.21 N ATOM 290 CA GLU A 21 9.436 2.801 -7.405 1.00 15.22 C ATOM 291 C GLU A 21 10.720 2.791 -6.571 1.00 24.40 C ATOM 292 O GLU A 21 11.233 1.726 -6.230 1.00 11.14 O ATOM 293 CB GLU A 21 9.726 2.443 -8.864 1.00 55.01 C ATOM 294 CG GLU A 21 10.770 3.388 -9.462 1.00 2.42 C ATOM 295 CD GLU A 21 10.249 4.038 -10.745 1.00 22.42 C ATOM 296 OE1 GLU A 21 10.870 3.898 -11.809 1.00 40.41 O ATOM 297 OE2 GLU A 21 9.154 4.709 -10.610 1.00 11.51 O ATOM 0 H GLU A 21 8.626 4.562 -8.199 1.00 72.21 H new ATOM 0 HA GLU A 21 8.761 2.043 -7.008 1.00 15.22 H new ATOM 0 HB2 GLU A 21 10.083 1.415 -8.926 1.00 55.01 H new ATOM 0 HB3 GLU A 21 8.806 2.497 -9.446 1.00 55.01 H new ATOM 0 HG2 GLU A 21 11.025 4.160 -8.736 1.00 2.42 H new ATOM 0 HG3 GLU A 21 11.686 2.836 -9.675 1.00 2.42 H new ATOM 305 N GLN A 22 11.201 3.987 -6.269 1.00 51.35 N ATOM 306 CA GLN A 22 12.415 4.129 -5.483 1.00 31.22 C ATOM 307 C GLN A 22 12.419 3.126 -4.328 1.00 11.03 C ATOM 308 O GLN A 22 13.436 2.487 -4.059 1.00 70.50 O ATOM 309 CB GLN A 22 12.569 5.560 -4.966 1.00 50.05 C ATOM 310 CG GLN A 22 14.038 5.888 -4.689 1.00 1.42 C ATOM 311 CD GLN A 22 14.172 7.223 -3.954 1.00 15.25 C ATOM 312 OE1 GLN A 22 13.683 8.252 -4.386 1.00 74.41 O ATOM 313 NE2 GLN A 22 14.864 7.147 -2.819 1.00 34.01 N ATOM 0 H GLN A 22 10.772 4.867 -6.554 1.00 51.35 H new ATOM 0 HA GLN A 22 13.268 3.916 -6.127 1.00 31.22 H new ATOM 0 HB2 GLN A 22 12.168 6.260 -5.699 1.00 50.05 H new ATOM 0 HB3 GLN A 22 11.986 5.685 -4.053 1.00 50.05 H new ATOM 0 HG2 GLN A 22 14.485 5.093 -4.092 1.00 1.42 H new ATOM 0 HG3 GLN A 22 14.589 5.929 -5.629 1.00 1.42 H new ATOM 0 HE21 GLN A 22 15.247 6.252 -2.514 1.00 34.01 H new ATOM 0 HE22 GLN A 22 15.011 7.984 -2.254 1.00 34.01 H new ATOM 322 N GLU A 23 11.270 3.017 -3.675 1.00 53.14 N ATOM 323 CA GLU A 23 11.129 2.103 -2.555 1.00 43.31 C ATOM 324 C GLU A 23 11.164 0.654 -3.045 1.00 5.12 C ATOM 325 O GLU A 23 11.761 -0.208 -2.403 1.00 1.20 O ATOM 326 CB GLU A 23 9.844 2.387 -1.775 1.00 1.01 C ATOM 327 CG GLU A 23 9.890 1.739 -0.389 1.00 54.24 C ATOM 328 CD GLU A 23 9.222 0.363 -0.404 1.00 10.21 C ATOM 329 OE1 GLU A 23 8.987 -0.200 -1.482 1.00 44.34 O ATOM 330 OE2 GLU A 23 8.946 -0.121 0.759 1.00 14.14 O ATOM 0 H GLU A 23 10.428 3.547 -3.901 1.00 53.14 H new ATOM 0 HA GLU A 23 11.968 2.257 -1.877 1.00 43.31 H new ATOM 0 HB2 GLU A 23 9.707 3.463 -1.673 1.00 1.01 H new ATOM 0 HB3 GLU A 23 8.986 2.007 -2.330 1.00 1.01 H new ATOM 0 HG2 GLU A 23 10.926 1.641 -0.064 1.00 54.24 H new ATOM 0 HG3 GLU A 23 9.389 2.383 0.334 1.00 54.24 H new ATOM 338 N LEU A 24 10.517 0.431 -4.180 1.00 1.31 N ATOM 339 CA LEU A 24 10.467 -0.899 -4.763 1.00 45.14 C ATOM 340 C LEU A 24 11.885 -1.464 -4.856 1.00 24.21 C ATOM 341 O LEU A 24 12.072 -2.680 -4.876 1.00 0.54 O ATOM 342 CB LEU A 24 9.729 -0.869 -6.104 1.00 72.34 C ATOM 343 CG LEU A 24 8.435 -1.682 -6.176 1.00 34.44 C ATOM 344 CD1 LEU A 24 8.675 -3.132 -5.750 1.00 0.11 C ATOM 345 CD2 LEU A 24 7.325 -1.022 -5.356 1.00 53.22 C ATOM 0 H LEU A 24 10.023 1.149 -4.711 1.00 1.31 H new ATOM 0 HA LEU A 24 9.895 -1.573 -4.125 1.00 45.14 H new ATOM 0 HB2 LEU A 24 9.497 0.168 -6.345 1.00 72.34 H new ATOM 0 HB3 LEU A 24 10.406 -1.232 -6.877 1.00 72.34 H new ATOM 0 HG LEU A 24 8.101 -1.700 -7.214 1.00 34.44 H new ATOM 0 HD11 LEU A 24 7.740 -3.688 -5.810 1.00 0.11 H new ATOM 0 HD12 LEU A 24 9.412 -3.588 -6.411 1.00 0.11 H new ATOM 0 HD13 LEU A 24 9.045 -3.154 -4.725 1.00 0.11 H new ATOM 0 HD21 LEU A 24 6.417 -1.621 -5.425 1.00 53.22 H new ATOM 0 HD22 LEU A 24 7.635 -0.952 -4.313 1.00 53.22 H new ATOM 0 HD23 LEU A 24 7.131 -0.022 -5.745 1.00 53.22 H new ATOM 357 N LEU A 25 12.848 -0.556 -4.910 1.00 62.34 N ATOM 358 CA LEU A 25 14.244 -0.949 -4.999 1.00 62.32 C ATOM 359 C LEU A 25 14.844 -1.006 -3.594 1.00 14.03 C ATOM 360 O LEU A 25 16.038 -0.771 -3.415 1.00 0.30 O ATOM 361 CB LEU A 25 15.001 -0.024 -5.954 1.00 50.02 C ATOM 362 CG LEU A 25 14.367 0.183 -7.332 1.00 72.22 C ATOM 363 CD1 LEU A 25 13.447 -0.985 -7.692 1.00 74.13 C ATOM 364 CD2 LEU A 25 13.642 1.529 -7.405 1.00 4.34 C ATOM 0 H LEU A 25 12.689 0.451 -4.894 1.00 62.34 H new ATOM 0 HA LEU A 25 14.332 -1.949 -5.424 1.00 62.32 H new ATOM 0 HB2 LEU A 25 15.109 0.950 -5.476 1.00 50.02 H new ATOM 0 HB3 LEU A 25 16.006 -0.423 -6.095 1.00 50.02 H new ATOM 0 HG LEU A 25 15.164 0.206 -8.076 1.00 72.22 H new ATOM 0 HD11 LEU A 25 13.009 -0.814 -8.675 1.00 74.13 H new ATOM 0 HD12 LEU A 25 14.023 -1.910 -7.707 1.00 74.13 H new ATOM 0 HD13 LEU A 25 12.653 -1.064 -6.950 1.00 74.13 H new ATOM 0 HD21 LEU A 25 13.201 1.651 -8.394 1.00 4.34 H new ATOM 0 HD22 LEU A 25 12.856 1.560 -6.650 1.00 4.34 H new ATOM 0 HD23 LEU A 25 14.352 2.335 -7.223 1.00 4.34 H new ATOM 376 N GLU A 26 13.989 -1.320 -2.631 1.00 42.32 N ATOM 377 CA GLU A 26 14.421 -1.412 -1.247 1.00 64.14 C ATOM 378 C GLU A 26 15.609 -2.366 -1.123 1.00 52.41 C ATOM 379 O GLU A 26 16.759 -1.930 -1.076 1.00 70.32 O ATOM 380 CB GLU A 26 13.268 -1.851 -0.342 1.00 23.21 C ATOM 381 CG GLU A 26 12.339 -2.824 -1.070 1.00 25.23 C ATOM 382 CD GLU A 26 11.921 -3.974 -0.151 1.00 3.22 C ATOM 383 OE1 GLU A 26 11.858 -5.131 -0.596 1.00 54.13 O ATOM 384 OE2 GLU A 26 11.658 -3.633 1.064 1.00 13.13 O ATOM 0 H GLU A 26 12.999 -1.514 -2.782 1.00 42.32 H new ATOM 0 HA GLU A 26 14.741 -0.423 -0.920 1.00 64.14 H new ATOM 0 HB2 GLU A 26 13.666 -2.325 0.555 1.00 23.21 H new ATOM 0 HB3 GLU A 26 12.703 -0.977 -0.017 1.00 23.21 H new ATOM 0 HG2 GLU A 26 11.454 -2.294 -1.421 1.00 25.23 H new ATOM 0 HG3 GLU A 26 12.842 -3.222 -1.951 1.00 25.23 H new ATOM 392 N LEU A 27 15.293 -3.652 -1.075 1.00 62.23 N ATOM 393 CA LEU A 27 16.321 -4.672 -0.958 1.00 72.22 C ATOM 394 C LEU A 27 17.145 -4.710 -2.247 1.00 31.41 C ATOM 395 O LEU A 27 18.300 -5.132 -2.237 1.00 32.21 O ATOM 396 CB LEU A 27 15.699 -6.019 -0.586 1.00 34.43 C ATOM 397 CG LEU A 27 15.119 -6.123 0.827 1.00 41.01 C ATOM 398 CD1 LEU A 27 16.029 -6.953 1.734 1.00 3.25 C ATOM 399 CD2 LEU A 27 14.843 -4.735 1.410 1.00 5.33 C ATOM 0 H LEU A 27 14.339 -4.011 -1.115 1.00 62.23 H new ATOM 0 HA LEU A 27 17.008 -4.429 -0.147 1.00 72.22 H new ATOM 0 HB2 LEU A 27 14.906 -6.240 -1.300 1.00 34.43 H new ATOM 0 HB3 LEU A 27 16.458 -6.792 -0.704 1.00 34.43 H new ATOM 0 HG LEU A 27 14.163 -6.644 0.766 1.00 41.01 H new ATOM 0 HD11 LEU A 27 15.594 -7.011 2.732 1.00 3.25 H new ATOM 0 HD12 LEU A 27 16.132 -7.958 1.324 1.00 3.25 H new ATOM 0 HD13 LEU A 27 17.010 -6.483 1.793 1.00 3.25 H new ATOM 0 HD21 LEU A 27 14.432 -4.837 2.414 1.00 5.33 H new ATOM 0 HD22 LEU A 27 15.773 -4.168 1.455 1.00 5.33 H new ATOM 0 HD23 LEU A 27 14.128 -4.210 0.777 1.00 5.33 H new ATOM 411 N ASP A 28 16.518 -4.264 -3.325 1.00 61.45 N ATOM 412 CA ASP A 28 17.179 -4.242 -4.619 1.00 72.43 C ATOM 413 C ASP A 28 18.387 -3.306 -4.554 1.00 11.03 C ATOM 414 O ASP A 28 19.307 -3.417 -5.364 1.00 72.51 O ATOM 415 CB ASP A 28 16.238 -3.723 -5.709 1.00 31.24 C ATOM 416 CG ASP A 28 16.405 -4.387 -7.077 1.00 34.04 C ATOM 417 OD1 ASP A 28 15.652 -5.304 -7.438 1.00 54.14 O ATOM 418 OD2 ASP A 28 17.370 -3.920 -7.795 1.00 64.00 O ATOM 0 H ASP A 28 15.560 -3.915 -3.329 1.00 61.45 H new ATOM 0 HA ASP A 28 17.484 -5.261 -4.859 1.00 72.43 H new ATOM 0 HB2 ASP A 28 15.209 -3.863 -5.377 1.00 31.24 H new ATOM 0 HB3 ASP A 28 16.393 -2.650 -5.821 1.00 31.24 H new ATOM 424 N LYS A 29 18.347 -2.407 -3.582 1.00 13.20 N ATOM 425 CA LYS A 29 19.428 -1.453 -3.400 1.00 54.44 C ATOM 426 C LYS A 29 20.612 -2.152 -2.729 1.00 12.41 C ATOM 427 O LYS A 29 21.649 -1.534 -2.491 1.00 54.40 O ATOM 428 CB LYS A 29 18.933 -0.219 -2.643 1.00 71.44 C ATOM 429 CG LYS A 29 18.201 0.743 -3.581 1.00 4.33 C ATOM 430 CD LYS A 29 19.156 1.801 -4.136 1.00 72.34 C ATOM 431 CE LYS A 29 18.438 3.138 -4.333 1.00 33.23 C ATOM 432 NZ LYS A 29 19.042 4.183 -3.477 1.00 24.23 N ATOM 0 H LYS A 29 17.583 -2.319 -2.912 1.00 13.20 H new ATOM 0 HA LYS A 29 19.778 -1.087 -4.365 1.00 54.44 H new ATOM 0 HB2 LYS A 29 18.266 -0.526 -1.838 1.00 71.44 H new ATOM 0 HB3 LYS A 29 19.778 0.291 -2.180 1.00 71.44 H new ATOM 0 HG2 LYS A 29 17.754 0.185 -4.403 1.00 4.33 H new ATOM 0 HG3 LYS A 29 17.386 1.229 -3.045 1.00 4.33 H new ATOM 0 HD2 LYS A 29 19.996 1.932 -3.453 1.00 72.34 H new ATOM 0 HD3 LYS A 29 19.568 1.462 -5.086 1.00 72.34 H new ATOM 0 HE2 LYS A 29 18.497 3.438 -5.379 1.00 33.23 H new ATOM 0 HE3 LYS A 29 17.381 3.028 -4.092 1.00 33.23 H new ATOM 0 HZ1 LYS A 29 18.542 5.083 -3.624 1.00 24.23 H new ATOM 0 HZ2 LYS A 29 18.964 3.902 -2.479 1.00 24.23 H new ATOM 0 HZ3 LYS A 29 20.045 4.299 -3.726 1.00 24.23 H new ATOM 445 N TRP A 30 20.419 -3.431 -2.442 1.00 44.02 N ATOM 446 CA TRP A 30 21.457 -4.220 -1.804 1.00 12.24 C ATOM 447 C TRP A 30 22.798 -3.832 -2.429 1.00 54.33 C ATOM 448 O TRP A 30 23.728 -3.447 -1.722 1.00 15.22 O ATOM 449 CB TRP A 30 21.157 -5.716 -1.916 1.00 24.51 C ATOM 450 CG TRP A 30 20.332 -6.275 -0.754 1.00 10.53 C ATOM 451 CD1 TRP A 30 19.223 -7.024 -0.814 1.00 13.33 C ATOM 452 CD2 TRP A 30 20.600 -6.097 0.653 1.00 2.24 C ATOM 453 NE1 TRP A 30 18.758 -7.341 0.446 1.00 51.11 N ATOM 454 CE2 TRP A 30 19.622 -6.760 1.367 1.00 40.42 C ATOM 455 CE3 TRP A 30 21.636 -5.400 1.301 1.00 61.13 C ATOM 456 CZ2 TRP A 30 19.582 -6.790 2.765 1.00 31.41 C ATOM 457 CZ3 TRP A 30 21.580 -5.440 2.699 1.00 55.30 C ATOM 458 CH2 TRP A 30 20.603 -6.102 3.433 1.00 23.40 C ATOM 0 H TRP A 30 19.558 -3.940 -2.640 1.00 44.02 H new ATOM 0 HA TRP A 30 21.497 -4.010 -0.735 1.00 12.24 H new ATOM 0 HB2 TRP A 30 20.623 -5.900 -2.848 1.00 24.51 H new ATOM 0 HB3 TRP A 30 22.099 -6.261 -1.975 1.00 24.51 H new ATOM 0 HD1 TRP A 30 18.752 -7.340 -1.733 1.00 13.33 H new ATOM 0 HE1 TRP A 30 17.932 -7.899 0.662 1.00 51.11 H new ATOM 0 HE3 TRP A 30 22.412 -4.876 0.763 1.00 61.13 H new ATOM 0 HZ2 TRP A 30 18.805 -7.316 3.301 1.00 31.41 H new ATOM 0 HZ3 TRP A 30 22.351 -4.919 3.247 1.00 55.30 H new ATOM 0 HH2 TRP A 30 20.631 -6.086 4.513 1.00 23.40 H new ATOM 469 N ALA A 31 22.856 -3.946 -3.748 1.00 32.22 N ATOM 470 CA ALA A 31 24.068 -3.612 -4.475 1.00 62.33 C ATOM 471 C ALA A 31 24.475 -2.174 -4.146 1.00 2.24 C ATOM 472 O ALA A 31 25.646 -1.901 -3.886 1.00 40.00 O ATOM 473 CB ALA A 31 23.839 -3.824 -5.973 1.00 54.54 C ATOM 0 H ALA A 31 22.083 -4.265 -4.332 1.00 32.22 H new ATOM 0 HA ALA A 31 24.888 -4.264 -4.174 1.00 62.33 H new ATOM 0 HB1 ALA A 31 24.748 -3.573 -6.519 1.00 54.54 H new ATOM 0 HB2 ALA A 31 23.581 -4.867 -6.158 1.00 54.54 H new ATOM 0 HB3 ALA A 31 23.025 -3.183 -6.311 1.00 54.54 H new ATOM 479 N SER A 32 23.486 -1.293 -4.167 1.00 24.22 N ATOM 480 CA SER A 32 23.727 0.109 -3.873 1.00 43.43 C ATOM 481 C SER A 32 24.734 0.239 -2.729 1.00 63.32 C ATOM 482 O SER A 32 25.475 1.218 -2.658 1.00 32.14 O ATOM 483 CB SER A 32 22.424 0.829 -3.518 1.00 41.11 C ATOM 484 OG SER A 32 21.335 0.393 -4.328 1.00 55.14 O ATOM 0 H SER A 32 22.516 -1.523 -4.383 1.00 24.22 H new ATOM 0 HA SER A 32 24.139 0.579 -4.766 1.00 43.43 H new ATOM 0 HB2 SER A 32 22.188 0.654 -2.468 1.00 41.11 H new ATOM 0 HB3 SER A 32 22.559 1.904 -3.640 1.00 41.11 H new ATOM 0 HG SER A 32 21.507 0.631 -5.263 1.00 55.14 H new ATOM 490 N LEU A 33 24.728 -0.761 -1.861 1.00 65.50 N ATOM 491 CA LEU A 33 25.631 -0.771 -0.723 1.00 4.01 C ATOM 492 C LEU A 33 27.070 -0.920 -1.222 1.00 10.42 C ATOM 493 O LEU A 33 27.901 -0.040 -1.001 1.00 52.11 O ATOM 494 CB LEU A 33 25.215 -1.847 0.282 1.00 11.11 C ATOM 495 CG LEU A 33 25.309 -1.458 1.759 1.00 53.14 C ATOM 496 CD1 LEU A 33 24.487 -0.199 2.048 1.00 44.51 C ATOM 497 CD2 LEU A 33 24.906 -2.625 2.660 1.00 35.32 C ATOM 0 H LEU A 33 24.111 -1.571 -1.923 1.00 65.50 H new ATOM 0 HA LEU A 33 25.575 0.175 -0.184 1.00 4.01 H new ATOM 0 HB2 LEU A 33 24.186 -2.138 0.068 1.00 11.11 H new ATOM 0 HB3 LEU A 33 25.836 -2.728 0.119 1.00 11.11 H new ATOM 0 HG LEU A 33 26.349 -1.222 1.985 1.00 53.14 H new ATOM 0 HD11 LEU A 33 24.571 0.056 3.104 1.00 44.51 H new ATOM 0 HD12 LEU A 33 24.863 0.627 1.445 1.00 44.51 H new ATOM 0 HD13 LEU A 33 23.441 -0.383 1.801 1.00 44.51 H new ATOM 0 HD21 LEU A 33 24.982 -2.322 3.704 1.00 35.32 H new ATOM 0 HD22 LEU A 33 23.879 -2.916 2.440 1.00 35.32 H new ATOM 0 HD23 LEU A 33 25.570 -3.471 2.479 1.00 35.32 H new ATOM 509 N TRP A 34 27.321 -2.039 -1.885 1.00 63.54 N ATOM 510 CA TRP A 34 28.645 -2.314 -2.417 1.00 35.43 C ATOM 511 C TRP A 34 28.554 -2.296 -3.944 1.00 23.12 C ATOM 512 O TRP A 34 29.250 -1.525 -4.602 1.00 52.12 O ATOM 513 CB TRP A 34 29.195 -3.631 -1.865 1.00 64.23 C ATOM 514 CG TRP A 34 28.422 -4.869 -2.326 1.00 11.11 C ATOM 515 CD1 TRP A 34 27.399 -5.479 -1.711 1.00 4.41 C ATOM 516 CD2 TRP A 34 28.653 -5.627 -3.532 1.00 21.13 C ATOM 517 NE1 TRP A 34 26.956 -6.571 -2.430 1.00 13.42 N ATOM 518 CE2 TRP A 34 27.743 -6.663 -3.573 1.00 0.35 C ATOM 519 CE3 TRP A 34 29.600 -5.443 -4.555 1.00 55.15 C ATOM 520 CZ2 TRP A 34 27.691 -7.597 -4.615 1.00 33.41 C ATOM 521 CZ3 TRP A 34 29.534 -6.384 -5.589 1.00 53.35 C ATOM 522 CH2 TRP A 34 28.624 -7.434 -5.645 1.00 71.13 C ATOM 0 H TRP A 34 26.629 -2.767 -2.066 1.00 63.54 H new ATOM 0 HA TRP A 34 29.354 -1.549 -2.102 1.00 35.43 H new ATOM 0 HB2 TRP A 34 30.237 -3.733 -2.167 1.00 64.23 H new ATOM 0 HB3 TRP A 34 29.181 -3.591 -0.776 1.00 64.23 H new ATOM 0 HD1 TRP A 34 26.975 -5.157 -0.771 1.00 4.41 H new ATOM 0 HE1 TRP A 34 26.192 -7.195 -2.171 1.00 13.42 H new ATOM 0 HE3 TRP A 34 30.321 -4.639 -4.544 1.00 55.15 H new ATOM 0 HZ2 TRP A 34 26.969 -8.400 -4.623 1.00 33.41 H new ATOM 0 HZ3 TRP A 34 30.240 -6.288 -6.401 1.00 53.35 H new ATOM 0 HH2 TRP A 34 28.637 -8.120 -6.479 1.00 71.13 H new ATOM 533 N ASN A 35 27.690 -3.156 -4.463 1.00 60.10 N ATOM 534 CA ASN A 35 27.499 -3.250 -5.901 1.00 55.14 C ATOM 535 C ASN A 35 28.863 -3.228 -6.594 1.00 22.23 C ATOM 536 O ASN A 35 29.356 -2.166 -6.969 1.00 2.21 O ATOM 537 CB ASN A 35 26.684 -2.066 -6.426 1.00 53.23 C ATOM 538 CG ASN A 35 26.931 -1.849 -7.920 1.00 3.23 C ATOM 539 OD1 ASN A 35 27.286 -0.771 -8.367 1.00 65.52 O ATOM 540 ND2 ASN A 35 26.726 -2.932 -8.665 1.00 52.21 N ATOM 0 H ASN A 35 27.114 -3.794 -3.914 1.00 60.10 H new ATOM 0 HA ASN A 35 26.966 -4.177 -6.111 1.00 55.14 H new ATOM 0 HB2 ASN A 35 25.623 -2.245 -6.251 1.00 53.23 H new ATOM 0 HB3 ASN A 35 26.950 -1.164 -5.875 1.00 53.23 H new ATOM 0 HD21 ASN A 35 26.866 -2.890 -9.675 1.00 52.21 H new ATOM 0 HD22 ASN A 35 26.429 -3.804 -8.227 1.00 52.21 H new TER 547 ASN A 35