USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 274 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 25 SER OG : rot 170:sc= 0 USER MOD Set 1.2: A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.541 K(o=-0.54,f=-6.8!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.164 K(o=-0.16,f=-1.9!) USER MOD Single : A 15 GLN : amide:sc= -0.701 X(o=-0.7,f=-0.84) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0551) USER MOD Single : A 28 THR OG1 : rot 108:sc= -0.161 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.994 0.410 -1.413 1.00 22.43 N ATOM 2 CA GLY A 1 1.919 -0.418 -0.897 1.00 42.22 C ATOM 3 C GLY A 1 1.230 -1.217 -1.985 1.00 61.22 C ATOM 4 O GLY A 1 0.001 -1.253 -2.056 1.00 22.52 O ATOM 0 H1 GLY A 1 3.433 0.936 -0.631 1.00 22.43 H new ATOM 0 H2 GLY A 1 3.708 -0.193 -1.869 1.00 22.43 H new ATOM 0 H3 GLY A 1 2.612 1.081 -2.110 1.00 22.43 H new ATOM 0 HA2 GLY A 1 2.318 -1.100 -0.147 1.00 42.22 H new ATOM 0 HA3 GLY A 1 1.186 0.214 -0.395 1.00 42.22 H new ATOM 8 N CYS A 2 2.022 -1.859 -2.838 1.00 2.14 N ATOM 9 CA CYS A 2 1.482 -2.660 -3.929 1.00 62.13 C ATOM 10 C CYS A 2 2.010 -4.090 -3.867 1.00 63.42 C ATOM 11 O CYS A 2 2.958 -4.383 -3.136 1.00 74.24 O ATOM 12 CB CYS A 2 1.840 -2.031 -5.277 1.00 41.31 C ATOM 13 SG CYS A 2 3.626 -1.773 -5.527 1.00 22.24 S ATOM 0 H CYS A 2 3.041 -1.840 -2.794 1.00 2.14 H new ATOM 0 HA CYS A 2 0.397 -2.687 -3.824 1.00 62.13 H new ATOM 0 HB2 CYS A 2 1.461 -2.669 -6.075 1.00 41.31 H new ATOM 0 HB3 CYS A 2 1.329 -1.072 -5.365 1.00 41.31 H new ATOM 18 N LEU A 3 1.391 -4.977 -4.639 1.00 25.44 N ATOM 19 CA LEU A 3 1.799 -6.378 -4.672 1.00 54.15 C ATOM 20 C LEU A 3 2.817 -6.622 -5.781 1.00 70.24 C ATOM 21 O LEU A 3 2.579 -6.289 -6.941 1.00 52.15 O ATOM 22 CB LEU A 3 0.579 -7.279 -4.876 1.00 65.04 C ATOM 23 CG LEU A 3 -0.572 -7.084 -3.889 1.00 23.41 C ATOM 24 CD1 LEU A 3 -1.895 -7.480 -4.527 1.00 5.25 C ATOM 25 CD2 LEU A 3 -0.328 -7.888 -2.620 1.00 63.41 C ATOM 0 H LEU A 3 0.606 -4.752 -5.250 1.00 25.44 H new ATOM 0 HA LEU A 3 2.266 -6.619 -3.717 1.00 54.15 H new ATOM 0 HB2 LEU A 3 0.198 -7.118 -5.884 1.00 65.04 H new ATOM 0 HB3 LEU A 3 0.906 -8.317 -4.821 1.00 65.04 H new ATOM 0 HG LEU A 3 -0.622 -6.028 -3.623 1.00 23.41 H new ATOM 0 HD11 LEU A 3 -2.703 -7.335 -3.810 1.00 5.25 H new ATOM 0 HD12 LEU A 3 -2.075 -6.861 -5.406 1.00 5.25 H new ATOM 0 HD13 LEU A 3 -1.857 -8.528 -4.823 1.00 5.25 H new ATOM 0 HD21 LEU A 3 -1.157 -7.737 -1.929 1.00 63.41 H new ATOM 0 HD22 LEU A 3 -0.251 -8.946 -2.869 1.00 63.41 H new ATOM 0 HD23 LEU A 3 0.599 -7.557 -2.152 1.00 63.41 H new ATOM 37 N GLY A 4 3.953 -7.209 -5.416 1.00 50.11 N ATOM 38 CA GLY A 4 4.990 -7.490 -6.392 1.00 32.12 C ATOM 39 C GLY A 4 4.509 -8.404 -7.502 1.00 0.32 C ATOM 40 O GLY A 4 3.316 -8.692 -7.604 1.00 42.24 O ATOM 0 H GLY A 4 4.174 -7.495 -4.462 1.00 50.11 H new ATOM 0 HA2 GLY A 4 5.342 -6.553 -6.824 1.00 32.12 H new ATOM 0 HA3 GLY A 4 5.842 -7.950 -5.891 1.00 32.12 H new ATOM 44 N ILE A 5 5.438 -8.859 -8.335 1.00 42.14 N ATOM 45 CA ILE A 5 5.102 -9.744 -9.443 1.00 60.34 C ATOM 46 C ILE A 5 4.954 -11.186 -8.969 1.00 74.04 C ATOM 47 O ILE A 5 5.645 -11.623 -8.049 1.00 12.53 O ATOM 48 CB ILE A 5 6.169 -9.688 -10.553 1.00 13.32 C ATOM 49 CG1 ILE A 5 5.769 -10.592 -11.721 1.00 43.50 C ATOM 50 CG2 ILE A 5 7.528 -10.094 -10.002 1.00 54.03 C ATOM 51 CD1 ILE A 5 6.611 -10.384 -12.961 1.00 14.32 C ATOM 0 H ILE A 5 6.429 -8.630 -8.264 1.00 42.14 H new ATOM 0 HA ILE A 5 4.151 -9.396 -9.847 1.00 60.34 H new ATOM 0 HB ILE A 5 6.239 -8.664 -10.919 1.00 13.32 H new ATOM 0 HG12 ILE A 5 5.848 -11.633 -11.408 1.00 43.50 H new ATOM 0 HG13 ILE A 5 4.723 -10.412 -11.968 1.00 43.50 H new ATOM 0 HG21 ILE A 5 8.271 -10.050 -10.798 1.00 54.03 H new ATOM 0 HG22 ILE A 5 7.814 -9.413 -9.200 1.00 54.03 H new ATOM 0 HG23 ILE A 5 7.474 -11.111 -9.613 1.00 54.03 H new ATOM 0 HD11 ILE A 5 6.272 -11.057 -13.748 1.00 14.32 H new ATOM 0 HD12 ILE A 5 6.513 -9.352 -13.299 1.00 14.32 H new ATOM 0 HD13 ILE A 5 7.656 -10.592 -12.731 1.00 14.32 H new ATOM 63 N PHE A 6 4.048 -11.922 -9.606 1.00 24.13 N ATOM 64 CA PHE A 6 3.809 -13.316 -9.250 1.00 4.10 C ATOM 65 C PHE A 6 3.420 -13.443 -7.780 1.00 61.11 C ATOM 66 O PHE A 6 3.885 -14.341 -7.078 1.00 32.41 O ATOM 67 CB PHE A 6 5.055 -14.158 -9.534 1.00 2.31 C ATOM 68 CG PHE A 6 5.252 -14.464 -10.991 1.00 61.30 C ATOM 69 CD1 PHE A 6 4.222 -15.005 -11.744 1.00 44.32 C ATOM 70 CD2 PHE A 6 6.467 -14.213 -11.607 1.00 43.34 C ATOM 71 CE1 PHE A 6 4.400 -15.288 -13.085 1.00 41.35 C ATOM 72 CE2 PHE A 6 6.651 -14.493 -12.948 1.00 72.32 C ATOM 73 CZ PHE A 6 5.616 -15.033 -13.688 1.00 4.51 C ATOM 0 H PHE A 6 3.468 -11.576 -10.371 1.00 24.13 H new ATOM 0 HA PHE A 6 2.984 -13.684 -9.859 1.00 4.10 H new ATOM 0 HB2 PHE A 6 5.933 -13.631 -9.160 1.00 2.31 H new ATOM 0 HB3 PHE A 6 4.985 -15.094 -8.980 1.00 2.31 H new ATOM 0 HD1 PHE A 6 3.269 -15.208 -11.278 1.00 44.32 H new ATOM 0 HD2 PHE A 6 7.280 -13.794 -11.033 1.00 43.34 H new ATOM 0 HE1 PHE A 6 3.589 -15.708 -13.661 1.00 41.35 H new ATOM 0 HE2 PHE A 6 7.602 -14.290 -13.417 1.00 72.32 H new ATOM 0 HZ PHE A 6 5.758 -15.255 -14.735 1.00 4.51 H new ATOM 83 N LYS A 7 2.564 -12.537 -7.320 1.00 42.44 N ATOM 84 CA LYS A 7 2.110 -12.546 -5.935 1.00 3.51 C ATOM 85 C LYS A 7 0.604 -12.770 -5.857 1.00 74.43 C ATOM 86 O LYS A 7 -0.172 -12.068 -6.504 1.00 53.51 O ATOM 87 CB LYS A 7 2.476 -11.228 -5.248 1.00 50.43 C ATOM 88 CG LYS A 7 3.945 -11.123 -4.876 1.00 51.44 C ATOM 89 CD LYS A 7 4.301 -12.064 -3.738 1.00 75.00 C ATOM 90 CE LYS A 7 4.193 -11.372 -2.388 1.00 11.20 C ATOM 91 NZ LYS A 7 4.582 -12.275 -1.269 1.00 54.52 N ATOM 0 H LYS A 7 2.170 -11.786 -7.887 1.00 42.44 H new ATOM 0 HA LYS A 7 2.609 -13.368 -5.421 1.00 3.51 H new ATOM 0 HB2 LYS A 7 2.217 -10.400 -5.908 1.00 50.43 H new ATOM 0 HB3 LYS A 7 1.873 -11.118 -4.347 1.00 50.43 H new ATOM 0 HG2 LYS A 7 4.559 -11.355 -5.746 1.00 51.44 H new ATOM 0 HG3 LYS A 7 4.176 -10.098 -4.587 1.00 51.44 H new ATOM 0 HD2 LYS A 7 3.638 -12.929 -3.759 1.00 75.00 H new ATOM 0 HD3 LYS A 7 5.316 -12.437 -3.877 1.00 75.00 H new ATOM 0 HE2 LYS A 7 4.832 -10.489 -2.381 1.00 11.20 H new ATOM 0 HE3 LYS A 7 3.170 -11.027 -2.237 1.00 11.20 H new ATOM 0 HZ1 LYS A 7 4.495 -11.766 -0.366 1.00 54.52 H new ATOM 0 HZ2 LYS A 7 3.957 -13.106 -1.260 1.00 54.52 H new ATOM 0 HZ3 LYS A 7 5.567 -12.584 -1.399 1.00 54.52 H new ATOM 105 N ALA A 8 0.197 -13.754 -5.061 1.00 12.51 N ATOM 106 CA ALA A 8 -1.217 -14.068 -4.896 1.00 41.05 C ATOM 107 C ALA A 8 -2.020 -12.819 -4.550 1.00 75.05 C ATOM 108 O ALA A 8 -1.530 -11.923 -3.862 1.00 61.52 O ATOM 109 CB ALA A 8 -1.400 -15.130 -3.822 1.00 61.04 C ATOM 0 H ALA A 8 0.827 -14.347 -4.521 1.00 12.51 H new ATOM 0 HA ALA A 8 -1.590 -14.457 -5.843 1.00 41.05 H new ATOM 0 HB1 ALA A 8 -2.461 -15.355 -3.709 1.00 61.04 H new ATOM 0 HB2 ALA A 8 -0.866 -16.035 -4.111 1.00 61.04 H new ATOM 0 HB3 ALA A 8 -1.005 -14.762 -2.875 1.00 61.04 H new ATOM 115 N CYS A 9 -3.258 -12.765 -5.032 1.00 44.33 N ATOM 116 CA CYS A 9 -4.130 -11.625 -4.775 1.00 64.04 C ATOM 117 C CYS A 9 -5.531 -11.877 -5.325 1.00 23.42 C ATOM 118 O CYS A 9 -5.817 -12.951 -5.853 1.00 53.20 O ATOM 119 CB CYS A 9 -3.545 -10.357 -5.402 1.00 20.53 C ATOM 120 SG CYS A 9 -3.002 -10.564 -7.128 1.00 45.32 S ATOM 0 H CYS A 9 -3.679 -13.498 -5.603 1.00 44.33 H new ATOM 0 HA CYS A 9 -4.201 -11.490 -3.696 1.00 64.04 H new ATOM 0 HB2 CYS A 9 -4.293 -9.565 -5.360 1.00 20.53 H new ATOM 0 HB3 CYS A 9 -2.697 -10.026 -4.803 1.00 20.53 H new ATOM 125 N ASN A 10 -6.399 -10.880 -5.196 1.00 14.30 N ATOM 126 CA ASN A 10 -7.771 -10.993 -5.679 1.00 62.11 C ATOM 127 C ASN A 10 -8.063 -9.935 -6.739 1.00 73.50 C ATOM 128 O ASN A 10 -7.659 -8.778 -6.625 1.00 63.33 O ATOM 129 CB ASN A 10 -8.756 -10.853 -4.517 1.00 51.20 C ATOM 130 CG ASN A 10 -8.691 -9.485 -3.866 1.00 10.23 C ATOM 131 OD1 ASN A 10 -7.712 -8.755 -4.025 1.00 33.21 O ATOM 132 ND2 ASN A 10 -9.736 -9.131 -3.127 1.00 73.10 N ATOM 0 H ASN A 10 -6.177 -9.984 -4.761 1.00 14.30 H new ATOM 0 HA ASN A 10 -7.891 -11.978 -6.131 1.00 62.11 H new ATOM 0 HB2 ASN A 10 -9.768 -11.032 -4.879 1.00 51.20 H new ATOM 0 HB3 ASN A 10 -8.544 -11.618 -3.770 1.00 51.20 H new ATOM 0 HD21 ASN A 10 -9.749 -8.222 -2.664 1.00 73.10 H new ATOM 0 HD22 ASN A 10 -10.526 -9.768 -3.023 1.00 73.10 H new ATOM 139 N PRO A 11 -8.784 -10.340 -7.795 1.00 60.15 N ATOM 140 CA PRO A 11 -9.148 -9.443 -8.896 1.00 11.42 C ATOM 141 C PRO A 11 -10.173 -8.395 -8.474 1.00 45.34 C ATOM 142 O PRO A 11 -10.196 -7.286 -9.009 1.00 0.15 O ATOM 143 CB PRO A 11 -9.748 -10.387 -9.940 1.00 71.32 C ATOM 144 CG PRO A 11 -10.245 -11.553 -9.156 1.00 42.51 C ATOM 145 CD PRO A 11 -9.299 -11.705 -7.997 1.00 14.33 C ATOM 0 HA PRO A 11 -8.292 -8.874 -9.258 1.00 11.42 H new ATOM 0 HB2 PRO A 11 -10.557 -9.906 -10.490 1.00 71.32 H new ATOM 0 HB3 PRO A 11 -9.001 -10.692 -10.673 1.00 71.32 H new ATOM 0 HG2 PRO A 11 -11.264 -11.384 -8.808 1.00 42.51 H new ATOM 0 HG3 PRO A 11 -10.262 -12.456 -9.767 1.00 42.51 H new ATOM 0 HD2 PRO A 11 -9.809 -12.078 -7.109 1.00 14.33 H new ATOM 0 HD3 PRO A 11 -8.497 -12.408 -8.223 1.00 14.33 H new ATOM 153 N SER A 12 -11.018 -8.753 -7.513 1.00 43.02 N ATOM 154 CA SER A 12 -12.047 -7.844 -7.022 1.00 60.04 C ATOM 155 C SER A 12 -11.421 -6.616 -6.369 1.00 45.45 C ATOM 156 O SER A 12 -11.992 -5.527 -6.394 1.00 54.30 O ATOM 157 CB SER A 12 -12.955 -8.561 -6.021 1.00 2.20 C ATOM 158 OG SER A 12 -13.740 -7.634 -5.291 1.00 32.41 O ATOM 0 H SER A 12 -11.010 -9.666 -7.059 1.00 43.02 H new ATOM 0 HA SER A 12 -12.644 -7.516 -7.873 1.00 60.04 H new ATOM 0 HB2 SER A 12 -13.606 -9.257 -6.550 1.00 2.20 H new ATOM 0 HB3 SER A 12 -12.349 -9.151 -5.333 1.00 2.20 H new ATOM 0 HG SER A 12 -14.313 -8.117 -4.659 1.00 32.41 H new ATOM 164 N ASN A 13 -10.241 -6.800 -5.786 1.00 22.42 N ATOM 165 CA ASN A 13 -9.536 -5.708 -5.125 1.00 65.11 C ATOM 166 C ASN A 13 -8.067 -5.681 -5.537 1.00 24.45 C ATOM 167 O ASN A 13 -7.180 -5.503 -4.701 1.00 15.42 O ATOM 168 CB ASN A 13 -9.649 -5.845 -3.605 1.00 62.55 C ATOM 169 CG ASN A 13 -9.601 -4.505 -2.899 1.00 4.34 C ATOM 170 OD1 ASN A 13 -9.944 -3.473 -3.476 1.00 61.23 O ATOM 171 ND2 ASN A 13 -9.173 -4.514 -1.641 1.00 42.25 N ATOM 0 H ASN A 13 -9.753 -7.695 -5.758 1.00 22.42 H new ATOM 0 HA ASN A 13 -9.999 -4.771 -5.433 1.00 65.11 H new ATOM 0 HB2 ASN A 13 -10.583 -6.350 -3.357 1.00 62.55 H new ATOM 0 HB3 ASN A 13 -8.839 -6.475 -3.238 1.00 62.55 H new ATOM 0 HD21 ASN A 13 -9.119 -3.642 -1.114 1.00 42.25 H new ATOM 0 HD22 ASN A 13 -8.899 -5.393 -1.202 1.00 42.25 H new ATOM 178 N ASP A 14 -7.817 -5.860 -6.829 1.00 3.21 N ATOM 179 CA ASP A 14 -6.456 -5.855 -7.352 1.00 44.43 C ATOM 180 C ASP A 14 -5.694 -4.623 -6.874 1.00 10.54 C ATOM 181 O ASP A 14 -6.218 -3.509 -6.898 1.00 74.51 O ATOM 182 CB ASP A 14 -6.474 -5.896 -8.881 1.00 51.11 C ATOM 183 CG ASP A 14 -5.166 -5.428 -9.489 1.00 32.42 C ATOM 184 OD1 ASP A 14 -4.099 -5.824 -8.975 1.00 51.41 O ATOM 185 OD2 ASP A 14 -5.210 -4.667 -10.478 1.00 2.43 O ATOM 0 H ASP A 14 -8.539 -6.010 -7.534 1.00 3.21 H new ATOM 0 HA ASP A 14 -5.947 -6.743 -6.978 1.00 44.43 H new ATOM 0 HB2 ASP A 14 -6.681 -6.914 -9.212 1.00 51.11 H new ATOM 0 HB3 ASP A 14 -7.287 -5.270 -9.249 1.00 51.11 H new ATOM 190 N GLN A 15 -4.456 -4.831 -6.438 1.00 43.20 N ATOM 191 CA GLN A 15 -3.623 -3.737 -5.952 1.00 13.31 C ATOM 192 C GLN A 15 -2.152 -3.995 -6.258 1.00 3.10 C ATOM 193 O GLN A 15 -1.271 -3.631 -5.477 1.00 73.55 O ATOM 194 CB GLN A 15 -3.818 -3.550 -4.446 1.00 52.33 C ATOM 195 CG GLN A 15 -5.072 -2.768 -4.088 1.00 4.15 C ATOM 196 CD GLN A 15 -5.024 -1.333 -4.574 1.00 5.10 C ATOM 197 OE1 GLN A 15 -5.237 -1.058 -5.755 1.00 65.33 O ATOM 198 NE2 GLN A 15 -4.743 -0.408 -3.663 1.00 42.05 N ATOM 0 H GLN A 15 -4.008 -5.747 -6.411 1.00 43.20 H new ATOM 0 HA GLN A 15 -3.927 -2.826 -6.467 1.00 13.31 H new ATOM 0 HB2 GLN A 15 -3.862 -4.529 -3.969 1.00 52.33 H new ATOM 0 HB3 GLN A 15 -2.949 -3.035 -4.037 1.00 52.33 H new ATOM 0 HG2 GLN A 15 -5.941 -3.265 -4.520 1.00 4.15 H new ATOM 0 HG3 GLN A 15 -5.205 -2.777 -3.006 1.00 4.15 H new ATOM 0 HE21 GLN A 15 -4.573 -0.681 -2.695 1.00 42.05 H new ATOM 0 HE22 GLN A 15 -4.697 0.575 -3.932 1.00 42.05 H new ATOM 207 N CYS A 16 -1.891 -4.625 -7.399 1.00 14.14 N ATOM 208 CA CYS A 16 -0.527 -4.933 -7.808 1.00 63.14 C ATOM 209 C CYS A 16 0.262 -3.655 -8.078 1.00 40.20 C ATOM 210 O CYS A 16 -0.295 -2.557 -8.078 1.00 50.40 O ATOM 211 CB CYS A 16 -0.534 -5.814 -9.059 1.00 71.21 C ATOM 212 SG CYS A 16 -1.431 -7.387 -8.855 1.00 44.12 S ATOM 0 H CYS A 16 -2.608 -4.932 -8.057 1.00 14.14 H new ATOM 0 HA CYS A 16 -0.044 -5.473 -6.994 1.00 63.14 H new ATOM 0 HB2 CYS A 16 -0.983 -5.256 -9.881 1.00 71.21 H new ATOM 0 HB3 CYS A 16 0.496 -6.029 -9.345 1.00 71.21 H new ATOM 217 N CYS A 17 1.562 -3.806 -8.308 1.00 1.21 N ATOM 218 CA CYS A 17 2.429 -2.665 -8.579 1.00 32.30 C ATOM 219 C CYS A 17 2.266 -2.189 -10.019 1.00 51.44 C ATOM 220 O CYS A 17 3.008 -2.603 -10.910 1.00 73.23 O ATOM 221 CB CYS A 17 3.890 -3.034 -8.314 1.00 72.24 C ATOM 222 SG CYS A 17 4.266 -3.374 -6.565 1.00 12.34 S ATOM 0 H CYS A 17 2.039 -4.708 -8.312 1.00 1.21 H new ATOM 0 HA CYS A 17 2.140 -1.853 -7.912 1.00 32.30 H new ATOM 0 HB2 CYS A 17 4.145 -3.913 -8.907 1.00 72.24 H new ATOM 0 HB3 CYS A 17 4.527 -2.220 -8.660 1.00 72.24 H new ATOM 227 N LYS A 18 1.290 -1.314 -10.241 1.00 30.45 N ATOM 228 CA LYS A 18 1.029 -0.779 -11.571 1.00 50.33 C ATOM 229 C LYS A 18 2.309 -0.240 -12.201 1.00 42.45 C ATOM 230 O LYS A 18 2.484 -0.295 -13.419 1.00 1.13 O ATOM 231 CB LYS A 18 -0.023 0.330 -11.500 1.00 12.32 C ATOM 232 CG LYS A 18 -1.424 -0.178 -11.204 1.00 64.14 C ATOM 233 CD LYS A 18 -2.102 -0.705 -12.458 1.00 65.10 C ATOM 234 CE LYS A 18 -2.433 0.419 -13.427 1.00 14.52 C ATOM 235 NZ LYS A 18 -3.554 0.054 -14.338 1.00 5.43 N ATOM 0 H LYS A 18 0.667 -0.961 -9.515 1.00 30.45 H new ATOM 0 HA LYS A 18 0.652 -1.590 -12.194 1.00 50.33 H new ATOM 0 HB2 LYS A 18 0.266 1.044 -10.729 1.00 12.32 H new ATOM 0 HB3 LYS A 18 -0.034 0.870 -12.447 1.00 12.32 H new ATOM 0 HG2 LYS A 18 -1.375 -0.969 -10.456 1.00 64.14 H new ATOM 0 HG3 LYS A 18 -2.022 0.627 -10.777 1.00 64.14 H new ATOM 0 HD2 LYS A 18 -1.451 -1.429 -12.948 1.00 65.10 H new ATOM 0 HD3 LYS A 18 -3.016 -1.232 -12.185 1.00 65.10 H new ATOM 0 HE2 LYS A 18 -2.698 1.316 -12.866 1.00 14.52 H new ATOM 0 HE3 LYS A 18 -1.549 0.662 -14.017 1.00 14.52 H new ATOM 0 HZ1 LYS A 18 -3.749 0.846 -14.983 1.00 5.43 H new ATOM 0 HZ2 LYS A 18 -3.292 -0.787 -14.891 1.00 5.43 H new ATOM 0 HZ3 LYS A 18 -4.405 -0.153 -13.776 1.00 5.43 H new ATOM 249 N SER A 19 3.202 0.280 -11.365 1.00 12.31 N ATOM 250 CA SER A 19 4.465 0.831 -11.841 1.00 1.41 C ATOM 251 C SER A 19 5.218 -0.189 -12.689 1.00 73.13 C ATOM 252 O SER A 19 5.873 0.165 -13.669 1.00 64.42 O ATOM 253 CB SER A 19 5.333 1.268 -10.659 1.00 51.20 C ATOM 254 OG SER A 19 6.373 2.132 -11.082 1.00 45.01 O ATOM 0 H SER A 19 3.074 0.331 -10.354 1.00 12.31 H new ATOM 0 HA SER A 19 4.243 1.700 -12.461 1.00 1.41 H new ATOM 0 HB2 SER A 19 4.715 1.774 -9.917 1.00 51.20 H new ATOM 0 HB3 SER A 19 5.760 0.391 -10.173 1.00 51.20 H new ATOM 0 HG SER A 19 6.912 2.398 -10.308 1.00 45.01 H new ATOM 260 N SER A 20 5.118 -1.458 -12.305 1.00 10.42 N ATOM 261 CA SER A 20 5.792 -2.530 -13.027 1.00 31.43 C ATOM 262 C SER A 20 4.831 -3.228 -13.984 1.00 73.14 C ATOM 263 O SER A 20 5.048 -4.375 -14.376 1.00 5.11 O ATOM 264 CB SER A 20 6.377 -3.546 -12.044 1.00 21.13 C ATOM 265 OG SER A 20 7.728 -3.243 -11.741 1.00 11.11 O ATOM 0 H SER A 20 4.577 -1.768 -11.498 1.00 10.42 H new ATOM 0 HA SER A 20 6.602 -2.090 -13.609 1.00 31.43 H new ATOM 0 HB2 SER A 20 5.788 -3.551 -11.127 1.00 21.13 H new ATOM 0 HB3 SER A 20 6.312 -4.547 -12.470 1.00 21.13 H new ATOM 0 HG SER A 20 8.078 -3.906 -11.110 1.00 11.11 H new ATOM 271 N LYS A 21 3.765 -2.527 -14.358 1.00 65.32 N ATOM 272 CA LYS A 21 2.770 -3.076 -15.271 1.00 34.22 C ATOM 273 C LYS A 21 2.312 -4.457 -14.811 1.00 4.32 C ATOM 274 O LYS A 21 2.466 -5.445 -15.531 1.00 11.45 O ATOM 275 CB LYS A 21 3.340 -3.162 -16.689 1.00 35.15 C ATOM 276 CG LYS A 21 2.293 -2.994 -17.776 1.00 74.51 C ATOM 277 CD LYS A 21 1.521 -4.282 -18.010 1.00 72.25 C ATOM 278 CE LYS A 21 0.287 -4.361 -17.125 1.00 33.40 C ATOM 279 NZ LYS A 21 -0.952 -3.998 -17.867 1.00 35.52 N ATOM 0 H LYS A 21 3.569 -1.577 -14.042 1.00 65.32 H new ATOM 0 HA LYS A 21 1.908 -2.409 -15.273 1.00 34.22 H new ATOM 0 HB2 LYS A 21 4.105 -2.395 -16.811 1.00 35.15 H new ATOM 0 HB3 LYS A 21 3.832 -4.126 -16.816 1.00 35.15 H new ATOM 0 HG2 LYS A 21 1.601 -2.200 -17.496 1.00 74.51 H new ATOM 0 HG3 LYS A 21 2.776 -2.685 -18.703 1.00 74.51 H new ATOM 0 HD2 LYS A 21 1.224 -4.344 -19.057 1.00 72.25 H new ATOM 0 HD3 LYS A 21 2.168 -5.136 -17.811 1.00 72.25 H new ATOM 0 HE2 LYS A 21 0.189 -5.371 -16.727 1.00 33.40 H new ATOM 0 HE3 LYS A 21 0.408 -3.693 -16.272 1.00 33.40 H new ATOM 0 HZ1 LYS A 21 -1.771 -4.064 -17.229 1.00 35.52 H new ATOM 0 HZ2 LYS A 21 -0.870 -3.025 -18.225 1.00 35.52 H new ATOM 0 HZ3 LYS A 21 -1.082 -4.651 -18.666 1.00 35.52 H new ATOM 293 N LEU A 22 1.749 -4.518 -13.609 1.00 61.33 N ATOM 294 CA LEU A 22 1.268 -5.778 -13.054 1.00 34.42 C ATOM 295 C LEU A 22 -0.210 -5.682 -12.687 1.00 22.34 C ATOM 296 O LEU A 22 -0.663 -4.671 -12.151 1.00 3.32 O ATOM 297 CB LEU A 22 2.087 -6.161 -11.820 1.00 65.14 C ATOM 298 CG LEU A 22 3.599 -6.272 -12.027 1.00 15.32 C ATOM 299 CD1 LEU A 22 4.343 -5.788 -10.792 1.00 33.01 C ATOM 300 CD2 LEU A 22 3.988 -7.705 -12.359 1.00 50.33 C ATOM 0 H LEU A 22 1.615 -3.710 -13.001 1.00 61.33 H new ATOM 0 HA LEU A 22 1.386 -6.550 -13.815 1.00 34.42 H new ATOM 0 HB2 LEU A 22 1.900 -5.422 -11.041 1.00 65.14 H new ATOM 0 HB3 LEU A 22 1.720 -7.117 -11.447 1.00 65.14 H new ATOM 0 HG LEU A 22 3.879 -5.637 -12.867 1.00 15.32 H new ATOM 0 HD11 LEU A 22 5.417 -5.874 -10.957 1.00 33.01 H new ATOM 0 HD12 LEU A 22 4.088 -4.746 -10.599 1.00 33.01 H new ATOM 0 HD13 LEU A 22 4.058 -6.396 -9.934 1.00 33.01 H new ATOM 0 HD21 LEU A 22 5.067 -7.765 -12.503 1.00 50.33 H new ATOM 0 HD22 LEU A 22 3.694 -8.361 -11.540 1.00 50.33 H new ATOM 0 HD23 LEU A 22 3.482 -8.017 -13.273 1.00 50.33 H new ATOM 312 N VAL A 23 -0.957 -6.743 -12.977 1.00 24.03 N ATOM 313 CA VAL A 23 -2.382 -6.780 -12.674 1.00 54.02 C ATOM 314 C VAL A 23 -2.813 -8.171 -12.224 1.00 22.42 C ATOM 315 O VAL A 23 -2.375 -9.179 -12.780 1.00 23.23 O ATOM 316 CB VAL A 23 -3.226 -6.363 -13.894 1.00 21.42 C ATOM 317 CG1 VAL A 23 -4.710 -6.440 -13.568 1.00 42.31 C ATOM 318 CG2 VAL A 23 -2.844 -4.964 -14.353 1.00 24.25 C ATOM 0 H VAL A 23 -0.598 -7.588 -13.421 1.00 24.03 H new ATOM 0 HA VAL A 23 -2.551 -6.071 -11.864 1.00 54.02 H new ATOM 0 HB VAL A 23 -3.021 -7.056 -14.710 1.00 21.42 H new ATOM 0 HG11 VAL A 23 -5.290 -6.142 -14.441 1.00 42.31 H new ATOM 0 HG12 VAL A 23 -4.969 -7.462 -13.292 1.00 42.31 H new ATOM 0 HG13 VAL A 23 -4.935 -5.771 -12.737 1.00 42.31 H new ATOM 0 HG21 VAL A 23 -3.450 -4.686 -15.215 1.00 24.25 H new ATOM 0 HG22 VAL A 23 -3.018 -4.255 -13.543 1.00 24.25 H new ATOM 0 HG23 VAL A 23 -1.790 -4.947 -14.630 1.00 24.25 H new ATOM 328 N CYS A 24 -3.674 -8.220 -11.213 1.00 71.12 N ATOM 329 CA CYS A 24 -4.165 -9.488 -10.687 1.00 12.23 C ATOM 330 C CYS A 24 -5.204 -10.099 -11.622 1.00 71.52 C ATOM 331 O CYS A 24 -6.275 -9.531 -11.834 1.00 42.55 O ATOM 332 CB CYS A 24 -4.771 -9.286 -9.296 1.00 63.22 C ATOM 333 SG CYS A 24 -4.671 -10.754 -8.222 1.00 32.01 S ATOM 0 H CYS A 24 -4.046 -7.396 -10.741 1.00 71.12 H new ATOM 0 HA CYS A 24 -3.321 -10.174 -10.613 1.00 12.23 H new ATOM 0 HB2 CYS A 24 -4.262 -8.456 -8.807 1.00 63.22 H new ATOM 0 HB3 CYS A 24 -5.817 -8.999 -9.405 1.00 63.22 H new ATOM 338 N SER A 25 -4.880 -11.262 -12.178 1.00 63.34 N ATOM 339 CA SER A 25 -5.783 -11.950 -13.094 1.00 24.11 C ATOM 340 C SER A 25 -6.868 -12.699 -12.326 1.00 63.12 C ATOM 341 O SER A 25 -6.649 -13.149 -11.201 1.00 73.13 O ATOM 342 CB SER A 25 -5.002 -12.925 -13.977 1.00 41.15 C ATOM 343 OG SER A 25 -5.598 -13.043 -15.258 1.00 13.45 O ATOM 0 H SER A 25 -3.999 -11.748 -12.010 1.00 63.34 H new ATOM 0 HA SER A 25 -6.260 -11.201 -13.726 1.00 24.11 H new ATOM 0 HB2 SER A 25 -3.973 -12.581 -14.082 1.00 41.15 H new ATOM 0 HB3 SER A 25 -4.964 -13.904 -13.498 1.00 41.15 H new ATOM 0 HG SER A 25 -4.999 -13.540 -15.853 1.00 13.45 H new ATOM 349 N ARG A 26 -8.038 -12.828 -12.943 1.00 22.30 N ATOM 350 CA ARG A 26 -9.158 -13.521 -12.318 1.00 72.34 C ATOM 351 C ARG A 26 -8.977 -15.034 -12.404 1.00 35.05 C ATOM 352 O ARG A 26 -9.480 -15.779 -11.561 1.00 44.24 O ATOM 353 CB ARG A 26 -10.473 -13.116 -12.987 1.00 10.41 C ATOM 354 CG ARG A 26 -10.603 -11.619 -13.217 1.00 1.21 C ATOM 355 CD ARG A 26 -12.060 -11.184 -13.249 1.00 22.41 C ATOM 356 NE ARG A 26 -12.262 -10.009 -14.091 1.00 51.43 N ATOM 357 CZ ARG A 26 -12.159 -10.027 -15.416 1.00 1.25 C ATOM 358 NH1 ARG A 26 -11.858 -11.154 -16.045 1.00 21.31 N ATOM 359 NH2 ARG A 26 -12.357 -8.916 -16.113 1.00 15.40 N ATOM 0 H ARG A 26 -8.235 -12.462 -13.874 1.00 22.30 H new ATOM 0 HA ARG A 26 -9.189 -13.235 -11.267 1.00 72.34 H new ATOM 0 HB2 ARG A 26 -10.558 -13.631 -13.944 1.00 10.41 H new ATOM 0 HB3 ARG A 26 -11.305 -13.454 -12.369 1.00 10.41 H new ATOM 0 HG2 ARG A 26 -10.079 -11.082 -12.426 1.00 1.21 H new ATOM 0 HG3 ARG A 26 -10.122 -11.351 -14.158 1.00 1.21 H new ATOM 0 HD2 ARG A 26 -12.675 -12.005 -13.618 1.00 22.41 H new ATOM 0 HD3 ARG A 26 -12.395 -10.965 -12.235 1.00 22.41 H new ATOM 0 HE ARG A 26 -12.495 -9.125 -13.638 1.00 51.43 H new ATOM 0 HH11 ARG A 26 -11.705 -12.010 -15.512 1.00 21.31 H new ATOM 0 HH12 ARG A 26 -11.780 -11.165 -17.062 1.00 21.31 H new ATOM 0 HH21 ARG A 26 -12.589 -8.047 -15.632 1.00 15.40 H new ATOM 0 HH22 ARG A 26 -12.278 -8.931 -17.130 1.00 15.40 H new ATOM 373 N LYS A 27 -8.257 -15.482 -13.426 1.00 55.04 N ATOM 374 CA LYS A 27 -8.009 -16.905 -13.623 1.00 21.33 C ATOM 375 C LYS A 27 -6.731 -17.338 -12.910 1.00 53.25 C ATOM 376 O LYS A 27 -6.672 -18.416 -12.319 1.00 61.42 O ATOM 377 CB LYS A 27 -7.906 -17.225 -15.116 1.00 14.12 C ATOM 378 CG LYS A 27 -7.994 -18.709 -15.427 1.00 51.15 C ATOM 379 CD LYS A 27 -9.437 -19.167 -15.556 1.00 31.31 C ATOM 380 CE LYS A 27 -9.524 -20.647 -15.897 1.00 64.10 C ATOM 381 NZ LYS A 27 -9.063 -21.504 -14.769 1.00 74.04 N ATOM 0 H LYS A 27 -7.834 -14.879 -14.132 1.00 55.04 H new ATOM 0 HA LYS A 27 -8.847 -17.456 -13.197 1.00 21.33 H new ATOM 0 HB2 LYS A 27 -8.702 -16.703 -15.647 1.00 14.12 H new ATOM 0 HB3 LYS A 27 -6.961 -16.838 -15.498 1.00 14.12 H new ATOM 0 HG2 LYS A 27 -7.460 -18.920 -16.354 1.00 51.15 H new ATOM 0 HG3 LYS A 27 -7.500 -19.277 -14.638 1.00 51.15 H new ATOM 0 HD2 LYS A 27 -9.965 -18.976 -14.622 1.00 31.31 H new ATOM 0 HD3 LYS A 27 -9.937 -18.584 -16.330 1.00 31.31 H new ATOM 0 HE2 LYS A 27 -10.553 -20.902 -16.149 1.00 64.10 H new ATOM 0 HE3 LYS A 27 -8.919 -20.852 -16.780 1.00 64.10 H new ATOM 0 HZ1 LYS A 27 -9.263 -22.501 -14.986 1.00 74.04 H new ATOM 0 HZ2 LYS A 27 -8.040 -21.378 -14.633 1.00 74.04 H new ATOM 0 HZ3 LYS A 27 -9.564 -21.232 -13.899 1.00 74.04 H new ATOM 395 N THR A 28 -5.710 -16.489 -12.969 1.00 42.13 N ATOM 396 CA THR A 28 -4.434 -16.783 -12.330 1.00 24.10 C ATOM 397 C THR A 28 -4.452 -16.388 -10.858 1.00 34.43 C ATOM 398 O THR A 28 -3.788 -17.012 -10.030 1.00 32.03 O ATOM 399 CB THR A 28 -3.273 -16.053 -13.031 1.00 5.12 C ATOM 400 OG1 THR A 28 -3.121 -14.737 -12.486 1.00 21.54 O ATOM 401 CG2 THR A 28 -3.517 -15.961 -14.529 1.00 60.15 C ATOM 0 H THR A 28 -5.742 -15.592 -13.453 1.00 42.13 H new ATOM 0 HA THR A 28 -4.280 -17.859 -12.413 1.00 24.10 H new ATOM 0 HB THR A 28 -2.360 -16.624 -12.862 1.00 5.12 H new ATOM 0 HG1 THR A 28 -2.308 -14.701 -11.940 1.00 21.54 H new ATOM 0 HG21 THR A 28 -2.684 -15.442 -15.002 1.00 60.15 H new ATOM 0 HG22 THR A 28 -3.603 -16.964 -14.946 1.00 60.15 H new ATOM 0 HG23 THR A 28 -4.440 -15.411 -14.714 1.00 60.15 H new ATOM 409 N ARG A 29 -5.218 -15.350 -10.538 1.00 5.10 N ATOM 410 CA ARG A 29 -5.322 -14.872 -9.165 1.00 1.04 C ATOM 411 C ARG A 29 -3.964 -14.409 -8.645 1.00 41.23 C ATOM 412 O ARG A 29 -3.673 -14.520 -7.454 1.00 61.45 O ATOM 413 CB ARG A 29 -5.877 -15.973 -8.260 1.00 33.34 C ATOM 414 CG ARG A 29 -7.369 -16.207 -8.431 1.00 33.53 C ATOM 415 CD ARG A 29 -7.872 -17.301 -7.501 1.00 63.00 C ATOM 416 NE ARG A 29 -7.546 -18.635 -7.999 1.00 1.14 N ATOM 417 CZ ARG A 29 -8.094 -19.749 -7.527 1.00 73.24 C ATOM 418 NH1 ARG A 29 -8.991 -19.690 -6.552 1.00 41.05 N ATOM 419 NH2 ARG A 29 -7.746 -20.926 -8.032 1.00 33.10 N ATOM 0 H ARG A 29 -5.776 -14.824 -11.211 1.00 5.10 H new ATOM 0 HA ARG A 29 -6.005 -14.022 -9.154 1.00 1.04 H new ATOM 0 HB2 ARG A 29 -5.346 -16.903 -8.465 1.00 33.34 H new ATOM 0 HB3 ARG A 29 -5.675 -15.714 -7.221 1.00 33.34 H new ATOM 0 HG2 ARG A 29 -7.909 -15.281 -8.231 1.00 33.53 H new ATOM 0 HG3 ARG A 29 -7.579 -16.482 -9.465 1.00 33.53 H new ATOM 0 HD2 ARG A 29 -7.434 -17.166 -6.512 1.00 63.00 H new ATOM 0 HD3 ARG A 29 -8.952 -17.211 -7.386 1.00 63.00 H new ATOM 0 HE ARG A 29 -6.860 -18.715 -8.750 1.00 1.14 H new ATOM 0 HH11 ARG A 29 -9.262 -18.787 -6.162 1.00 41.05 H new ATOM 0 HH12 ARG A 29 -9.410 -20.547 -6.192 1.00 41.05 H new ATOM 0 HH21 ARG A 29 -7.057 -20.975 -8.783 1.00 33.10 H new ATOM 0 HH22 ARG A 29 -8.167 -21.781 -7.669 1.00 33.10 H new ATOM 433 N TRP A 30 -3.138 -13.890 -9.546 1.00 42.14 N ATOM 434 CA TRP A 30 -1.810 -13.410 -9.179 1.00 72.42 C ATOM 435 C TRP A 30 -1.337 -12.327 -10.142 1.00 61.34 C ATOM 436 O TRP A 30 -1.716 -12.316 -11.314 1.00 44.11 O ATOM 437 CB TRP A 30 -0.812 -14.570 -9.166 1.00 15.44 C ATOM 438 CG TRP A 30 -0.348 -14.970 -10.533 1.00 41.53 C ATOM 439 CD1 TRP A 30 0.322 -14.189 -11.432 1.00 61.40 C ATOM 440 CD2 TRP A 30 -0.521 -16.246 -11.158 1.00 22.32 C ATOM 441 NE1 TRP A 30 0.576 -14.904 -12.578 1.00 21.34 N ATOM 442 CE2 TRP A 30 0.070 -16.169 -12.434 1.00 60.12 C ATOM 443 CE3 TRP A 30 -1.115 -17.448 -10.762 1.00 50.43 C ATOM 444 CZ2 TRP A 30 0.081 -17.247 -13.315 1.00 62.13 C ATOM 445 CZ3 TRP A 30 -1.103 -18.516 -11.638 1.00 74.41 C ATOM 446 CH2 TRP A 30 -0.508 -18.411 -12.902 1.00 50.02 C ATOM 0 H TRP A 30 -3.364 -13.791 -10.536 1.00 42.14 H new ATOM 0 HA TRP A 30 -1.870 -12.980 -8.179 1.00 72.42 H new ATOM 0 HB2 TRP A 30 0.053 -14.289 -8.565 1.00 15.44 H new ATOM 0 HB3 TRP A 30 -1.272 -15.430 -8.680 1.00 15.44 H new ATOM 0 HD1 TRP A 30 0.610 -13.161 -11.266 1.00 61.40 H new ATOM 0 HE1 TRP A 30 1.062 -14.550 -13.402 1.00 21.34 H new ATOM 0 HE3 TRP A 30 -1.575 -17.540 -9.789 1.00 50.43 H new ATOM 0 HZ2 TRP A 30 0.538 -17.167 -14.290 1.00 62.13 H new ATOM 0 HZ3 TRP A 30 -1.561 -19.449 -11.343 1.00 74.41 H new ATOM 0 HH2 TRP A 30 -0.514 -19.265 -13.563 1.00 50.02 H new ATOM 457 N CYS A 31 -0.507 -11.418 -9.642 1.00 70.11 N ATOM 458 CA CYS A 31 0.018 -10.330 -10.458 1.00 62.22 C ATOM 459 C CYS A 31 0.901 -10.869 -11.580 1.00 25.12 C ATOM 460 O CYS A 31 1.980 -11.409 -11.331 1.00 73.15 O ATOM 461 CB CYS A 31 0.815 -9.353 -9.591 1.00 60.33 C ATOM 462 SG CYS A 31 -0.103 -8.718 -8.152 1.00 2.51 S ATOM 0 H CYS A 31 -0.183 -11.413 -8.675 1.00 70.11 H new ATOM 0 HA CYS A 31 -0.826 -9.804 -10.904 1.00 62.22 H new ATOM 0 HB2 CYS A 31 1.720 -9.849 -9.241 1.00 60.33 H new ATOM 0 HB3 CYS A 31 1.131 -8.511 -10.207 1.00 60.33 H new ATOM 467 N LYS A 32 0.437 -10.718 -12.815 1.00 72.35 N ATOM 468 CA LYS A 32 1.183 -11.187 -13.977 1.00 24.43 C ATOM 469 C LYS A 32 1.809 -10.018 -14.730 1.00 54.14 C ATOM 470 O LYS A 32 1.273 -8.909 -14.729 1.00 24.32 O ATOM 471 CB LYS A 32 0.267 -11.979 -14.912 1.00 71.22 C ATOM 472 CG LYS A 32 -0.688 -11.108 -15.710 1.00 4.42 C ATOM 473 CD LYS A 32 -1.939 -11.871 -16.108 1.00 75.20 C ATOM 474 CE LYS A 32 -2.476 -11.400 -17.451 1.00 61.52 C ATOM 475 NZ LYS A 32 -3.469 -12.355 -18.017 1.00 51.11 N ATOM 0 H LYS A 32 -0.454 -10.274 -13.038 1.00 72.35 H new ATOM 0 HA LYS A 32 1.983 -11.839 -13.625 1.00 24.43 H new ATOM 0 HB2 LYS A 32 0.880 -12.558 -15.602 1.00 71.22 H new ATOM 0 HB3 LYS A 32 -0.310 -12.692 -14.323 1.00 71.22 H new ATOM 0 HG2 LYS A 32 -0.966 -10.235 -15.119 1.00 4.42 H new ATOM 0 HG3 LYS A 32 -0.185 -10.740 -16.604 1.00 4.42 H new ATOM 0 HD2 LYS A 32 -1.716 -12.937 -16.158 1.00 75.20 H new ATOM 0 HD3 LYS A 32 -2.705 -11.741 -15.343 1.00 75.20 H new ATOM 0 HE2 LYS A 32 -2.940 -10.421 -17.333 1.00 61.52 H new ATOM 0 HE3 LYS A 32 -1.649 -11.279 -18.151 1.00 61.52 H new ATOM 0 HZ1 LYS A 32 -3.811 -11.998 -18.932 1.00 51.11 H new ATOM 0 HZ2 LYS A 32 -3.020 -13.283 -18.153 1.00 51.11 H new ATOM 0 HZ3 LYS A 32 -4.271 -12.451 -17.361 1.00 51.11 H new ATOM 489 N TRP A 33 2.942 -10.273 -15.374 1.00 20.13 N ATOM 490 CA TRP A 33 3.639 -9.241 -16.133 1.00 12.20 C ATOM 491 C TRP A 33 3.113 -9.168 -17.562 1.00 63.44 C ATOM 492 O TRP A 33 3.324 -10.085 -18.357 1.00 15.43 O ATOM 493 CB TRP A 33 5.144 -9.514 -16.143 1.00 34.32 C ATOM 494 CG TRP A 33 5.973 -8.268 -16.221 1.00 22.52 C ATOM 495 CD1 TRP A 33 5.573 -7.045 -16.676 1.00 43.35 C ATOM 496 CD2 TRP A 33 7.344 -8.126 -15.834 1.00 23.32 C ATOM 497 NE1 TRP A 33 6.613 -6.150 -16.596 1.00 23.31 N ATOM 498 CE2 TRP A 33 7.711 -6.789 -16.081 1.00 55.24 C ATOM 499 CE3 TRP A 33 8.298 -8.998 -15.300 1.00 55.22 C ATOM 500 CZ2 TRP A 33 8.989 -6.306 -15.814 1.00 52.24 C ATOM 501 CZ3 TRP A 33 9.566 -8.517 -15.036 1.00 52.11 C ATOM 502 CH2 TRP A 33 9.902 -7.181 -15.292 1.00 41.05 C ATOM 0 H TRP A 33 3.398 -11.185 -15.386 1.00 20.13 H new ATOM 0 HA TRP A 33 3.455 -8.282 -15.649 1.00 12.20 H new ATOM 0 HB2 TRP A 33 5.412 -10.064 -15.241 1.00 34.32 H new ATOM 0 HB3 TRP A 33 5.384 -10.155 -16.991 1.00 34.32 H new ATOM 0 HD1 TRP A 33 4.584 -6.814 -17.045 1.00 43.35 H new ATOM 0 HE1 TRP A 33 6.574 -5.170 -16.875 1.00 23.31 H new ATOM 0 HE3 TRP A 33 8.048 -10.029 -15.098 1.00 55.22 H new ATOM 0 HZ2 TRP A 33 9.250 -5.277 -16.012 1.00 52.24 H new ATOM 0 HZ3 TRP A 33 10.311 -9.182 -14.625 1.00 52.11 H new ATOM 0 HH2 TRP A 33 10.901 -6.835 -15.073 1.00 41.05 H new ATOM 513 N GLN A 34 2.430 -8.074 -17.883 1.00 20.35 N ATOM 514 CA GLN A 34 1.875 -7.884 -19.217 1.00 73.33 C ATOM 515 C GLN A 34 2.840 -7.102 -20.102 1.00 72.32 C ATOM 516 O GLN A 34 3.531 -6.197 -19.634 1.00 64.32 O ATOM 517 CB GLN A 34 0.533 -7.154 -19.135 1.00 43.42 C ATOM 518 CG GLN A 34 -0.655 -8.017 -19.529 1.00 44.53 C ATOM 519 CD GLN A 34 -1.185 -7.684 -20.910 1.00 12.21 C ATOM 520 OE1 GLN A 34 -0.725 -8.230 -21.913 1.00 31.42 O ATOM 521 NE2 GLN A 34 -2.159 -6.783 -20.969 1.00 30.01 N ATOM 0 H GLN A 34 2.248 -7.306 -17.237 1.00 20.35 H new ATOM 0 HA GLN A 34 1.719 -8.867 -19.662 1.00 73.33 H new ATOM 0 HB2 GLN A 34 0.387 -6.793 -18.117 1.00 43.42 H new ATOM 0 HB3 GLN A 34 0.565 -6.278 -19.783 1.00 43.42 H new ATOM 0 HG2 GLN A 34 -0.363 -9.067 -19.499 1.00 44.53 H new ATOM 0 HG3 GLN A 34 -1.452 -7.887 -18.797 1.00 44.53 H new ATOM 0 HE21 GLN A 34 -2.511 -6.355 -20.112 1.00 30.01 H new ATOM 0 HE22 GLN A 34 -2.555 -6.519 -21.871 1.00 30.01 H new ATOM 530 N ILE A 35 2.881 -7.457 -21.382 1.00 23.51 N ATOM 531 CA ILE A 35 3.761 -6.788 -22.332 1.00 22.12 C ATOM 532 C ILE A 35 3.354 -5.332 -22.526 1.00 40.51 C ATOM 533 O ILE A 35 2.222 -4.947 -22.231 1.00 24.33 O ATOM 534 CB ILE A 35 3.757 -7.497 -23.699 1.00 24.31 C ATOM 535 CG1 ILE A 35 4.669 -6.761 -24.682 1.00 41.25 C ATOM 536 CG2 ILE A 35 2.341 -7.586 -24.246 1.00 15.51 C ATOM 537 CD1 ILE A 35 5.298 -7.667 -25.717 1.00 45.25 C ATOM 0 H ILE A 35 2.315 -8.204 -21.785 1.00 23.51 H new ATOM 0 HA ILE A 35 4.767 -6.829 -21.914 1.00 22.12 H new ATOM 0 HB ILE A 35 4.138 -8.510 -23.567 1.00 24.31 H new ATOM 0 HG12 ILE A 35 4.093 -5.987 -25.190 1.00 41.25 H new ATOM 0 HG13 ILE A 35 5.458 -6.256 -24.125 1.00 41.25 H new ATOM 0 HG21 ILE A 35 2.355 -8.090 -25.213 1.00 15.51 H new ATOM 0 HG22 ILE A 35 1.718 -8.150 -23.552 1.00 15.51 H new ATOM 0 HG23 ILE A 35 1.934 -6.582 -24.366 1.00 15.51 H new ATOM 0 HD11 ILE A 35 5.931 -7.077 -26.380 1.00 45.25 H new ATOM 0 HD12 ILE A 35 5.901 -8.425 -25.218 1.00 45.25 H new ATOM 0 HD13 ILE A 35 4.515 -8.152 -26.300 1.00 45.25 H new TER 549 ILE A 35