USER MOD reduce.3.24.130724 H: found=0, std=0, add=300, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 301 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 Single : A 2 LYS NZ :NH3+ 167:sc=-0.00613 (180deg=-0.214) USER MOD Single : A 3 GLN : amide:sc= -0.0844 X(o=-0.084,f=-0.084) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.132) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 169:sc=-0.00684 (180deg=-0.168) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -167:sc= 0.823 (180deg=0.693) USER MOD Single : A 28 MET CE :methyl 177:sc= -1.61 (180deg=-1.74) USER MOD Single : A 35 LYS NZ :NH3+ 155:sc= 0.00711 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 169:sc=-0.00811 (180deg=-0.172) USER MOD ----------------------------------------------------------------- ATOM 24 N LYS A 2 30.665 -44.082 11.075 1.00 0.00 N ATOM 25 CA LYS A 2 31.447 -42.906 11.473 1.00 0.00 C ATOM 26 C LYS A 2 32.887 -43.322 11.788 1.00 0.00 C ATOM 27 O LYS A 2 33.823 -42.981 11.066 1.00 0.00 O ATOM 28 CB LYS A 2 30.796 -42.249 12.699 1.00 0.00 C ATOM 29 CG LYS A 2 29.387 -41.714 12.428 1.00 0.00 C ATOM 30 CD LYS A 2 29.413 -40.545 11.440 1.00 0.00 C ATOM 31 CE LYS A 2 28.021 -39.954 11.211 1.00 0.00 C ATOM 32 NZ LYS A 2 27.511 -39.334 12.447 1.00 0.00 N ATOM 0 HA LYS A 2 31.466 -42.186 10.655 1.00 0.00 H new ATOM 0 HB2 LYS A 2 30.750 -42.976 13.510 1.00 0.00 H new ATOM 0 HB3 LYS A 2 31.428 -41.429 13.041 1.00 0.00 H new ATOM 0 HG2 LYS A 2 28.763 -42.514 12.031 1.00 0.00 H new ATOM 0 HG3 LYS A 2 28.933 -41.391 13.365 1.00 0.00 H new ATOM 0 HD2 LYS A 2 30.079 -39.768 11.816 1.00 0.00 H new ATOM 0 HD3 LYS A 2 29.823 -40.884 10.489 1.00 0.00 H new ATOM 0 HE2 LYS A 2 28.062 -39.211 10.415 1.00 0.00 H new ATOM 0 HE3 LYS A 2 27.337 -40.736 10.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 26.678 -38.753 12.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 27.245 -40.077 13.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 28.250 -38.734 12.865 1.00 0.00 H new ATOM 46 N GLN A 3 33.070 -44.061 12.874 1.00 0.00 N ATOM 47 CA GLN A 3 34.423 -44.463 13.273 1.00 0.00 C ATOM 48 C GLN A 3 34.954 -45.619 12.422 1.00 0.00 C ATOM 49 O GLN A 3 36.116 -45.617 12.014 1.00 0.00 O ATOM 50 CB GLN A 3 34.390 -44.838 14.758 1.00 0.00 C ATOM 51 CG GLN A 3 35.785 -45.152 15.306 1.00 0.00 C ATOM 52 CD GLN A 3 36.693 -43.929 15.294 1.00 0.00 C ATOM 53 OE1 GLN A 3 36.509 -42.977 16.051 1.00 0.00 O ATOM 54 NE2 GLN A 3 37.692 -43.939 14.432 1.00 0.00 N ATOM 0 H GLN A 3 32.323 -44.390 13.485 1.00 0.00 H new ATOM 0 HA GLN A 3 35.108 -43.630 13.111 1.00 0.00 H new ATOM 0 HB2 GLN A 3 33.953 -44.018 15.328 1.00 0.00 H new ATOM 0 HB3 GLN A 3 33.743 -45.704 14.898 1.00 0.00 H new ATOM 0 HG2 GLN A 3 35.698 -45.528 16.325 1.00 0.00 H new ATOM 0 HG3 GLN A 3 36.238 -45.945 14.711 1.00 0.00 H new ATOM 0 HE21 GLN A 3 37.825 -44.740 13.814 1.00 0.00 H new ATOM 0 HE22 GLN A 3 38.332 -43.146 14.383 1.00 0.00 H new ATOM 63 N CYS A 4 34.131 -46.628 12.162 1.00 0.00 N ATOM 64 CA CYS A 4 34.646 -47.811 11.465 1.00 0.00 C ATOM 65 C CYS A 4 34.940 -47.568 9.984 1.00 0.00 C ATOM 66 O CYS A 4 35.819 -48.209 9.411 1.00 0.00 O ATOM 67 CB CYS A 4 33.679 -48.980 11.626 1.00 0.00 C ATOM 68 SG CYS A 4 34.529 -50.480 11.111 1.00 0.00 S ATOM 0 H CYS A 4 33.142 -46.659 12.410 1.00 0.00 H new ATOM 0 HA CYS A 4 35.601 -48.051 11.932 1.00 0.00 H new ATOM 0 HB2 CYS A 4 33.352 -49.064 12.662 1.00 0.00 H new ATOM 0 HB3 CYS A 4 32.786 -48.822 11.022 1.00 0.00 H new ATOM 73 N HIS A 5 34.224 -46.653 9.343 1.00 0.00 N ATOM 74 CA HIS A 5 34.536 -46.348 7.941 1.00 0.00 C ATOM 75 C HIS A 5 35.881 -45.622 7.812 1.00 0.00 C ATOM 76 O HIS A 5 36.599 -45.793 6.827 1.00 0.00 O ATOM 77 CB HIS A 5 33.393 -45.514 7.359 1.00 0.00 C ATOM 78 CG HIS A 5 33.496 -45.367 5.857 1.00 0.00 C ATOM 79 ND1 HIS A 5 33.685 -44.166 5.196 1.00 0.00 N ATOM 80 CD2 HIS A 5 33.360 -46.417 4.939 1.00 0.00 C ATOM 81 CE1 HIS A 5 33.646 -44.604 3.899 1.00 0.00 C ATOM 82 NE2 HIS A 5 33.461 -45.938 3.644 1.00 0.00 N ATOM 0 H HIS A 5 33.451 -46.124 9.746 1.00 0.00 H new ATOM 0 HA HIS A 5 34.631 -47.277 7.379 1.00 0.00 H new ATOM 0 HB2 HIS A 5 32.441 -45.980 7.612 1.00 0.00 H new ATOM 0 HB3 HIS A 5 33.396 -44.526 7.820 1.00 0.00 H new ATOM 0 HD2 HIS A 5 33.199 -47.452 5.204 1.00 0.00 H new ATOM 0 HE1 HIS A 5 33.760 -43.904 3.084 1.00 0.00 H new ATOM 0 HE2 HIS A 5 33.412 -46.435 2.755 1.00 0.00 H new ATOM 91 N LYS A 6 36.242 -44.826 8.812 1.00 0.00 N ATOM 92 CA LYS A 6 37.564 -44.189 8.806 1.00 0.00 C ATOM 93 C LYS A 6 38.686 -45.229 8.937 1.00 0.00 C ATOM 94 O LYS A 6 39.731 -45.115 8.297 1.00 0.00 O ATOM 95 CB LYS A 6 37.609 -43.175 9.955 1.00 0.00 C ATOM 96 CG LYS A 6 38.856 -42.286 9.922 1.00 0.00 C ATOM 97 CD LYS A 6 38.851 -41.359 8.703 1.00 0.00 C ATOM 98 CE LYS A 6 40.088 -40.460 8.661 1.00 0.00 C ATOM 99 NZ LYS A 6 40.081 -39.505 9.783 1.00 0.00 N ATOM 0 H LYS A 6 35.659 -44.607 9.620 1.00 0.00 H new ATOM 0 HA LYS A 6 37.723 -43.679 7.856 1.00 0.00 H new ATOM 0 HB2 LYS A 6 36.720 -42.546 9.912 1.00 0.00 H new ATOM 0 HB3 LYS A 6 37.576 -43.709 10.905 1.00 0.00 H new ATOM 0 HG2 LYS A 6 38.904 -41.690 10.834 1.00 0.00 H new ATOM 0 HG3 LYS A 6 39.749 -42.910 9.902 1.00 0.00 H new ATOM 0 HD2 LYS A 6 38.807 -41.957 7.793 1.00 0.00 H new ATOM 0 HD3 LYS A 6 37.954 -40.740 8.722 1.00 0.00 H new ATOM 0 HE2 LYS A 6 40.989 -41.072 8.704 1.00 0.00 H new ATOM 0 HE3 LYS A 6 40.116 -39.917 7.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 40.821 -38.789 9.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 39.153 -39.038 9.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 40.264 -40.013 10.672 1.00 0.00 H new ATOM 113 N LYS A 7 38.476 -46.257 9.753 1.00 0.00 N ATOM 114 CA LYS A 7 39.469 -47.333 9.851 1.00 0.00 C ATOM 115 C LYS A 7 39.426 -48.243 8.619 1.00 0.00 C ATOM 116 O LYS A 7 40.459 -48.546 8.023 1.00 0.00 O ATOM 117 CB LYS A 7 39.199 -48.153 11.116 1.00 0.00 C ATOM 118 CG LYS A 7 39.351 -47.330 12.399 1.00 0.00 C ATOM 119 CD LYS A 7 40.770 -46.800 12.617 1.00 0.00 C ATOM 120 CE LYS A 7 41.795 -47.930 12.730 1.00 0.00 C ATOM 121 NZ LYS A 7 43.140 -47.365 12.929 1.00 0.00 N ATOM 0 H LYS A 7 37.652 -46.372 10.343 1.00 0.00 H new ATOM 0 HA LYS A 7 40.462 -46.887 9.902 1.00 0.00 H new ATOM 0 HB2 LYS A 7 38.190 -48.563 11.070 1.00 0.00 H new ATOM 0 HB3 LYS A 7 39.885 -48.999 11.149 1.00 0.00 H new ATOM 0 HG2 LYS A 7 38.658 -46.489 12.367 1.00 0.00 H new ATOM 0 HG3 LYS A 7 39.066 -47.945 13.252 1.00 0.00 H new ATOM 0 HD2 LYS A 7 41.043 -46.145 11.790 1.00 0.00 H new ATOM 0 HD3 LYS A 7 40.796 -46.196 13.524 1.00 0.00 H new ATOM 0 HE2 LYS A 7 41.538 -48.584 13.563 1.00 0.00 H new ATOM 0 HE3 LYS A 7 41.777 -48.541 11.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 43.833 -48.137 13.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 43.385 -46.758 12.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 43.154 -46.800 13.802 1.00 0.00 H new ATOM 135 N GLY A 8 38.236 -48.694 8.240 1.00 0.00 N ATOM 136 CA GLY A 8 38.119 -49.576 7.076 1.00 0.00 C ATOM 137 C GLY A 8 37.422 -50.877 7.460 1.00 0.00 C ATOM 138 O GLY A 8 38.068 -51.902 7.677 1.00 0.00 O ATOM 0 H GLY A 8 37.356 -48.473 8.706 1.00 0.00 H new ATOM 0 HA2 GLY A 8 37.558 -49.075 6.287 1.00 0.00 H new ATOM 0 HA3 GLY A 8 39.109 -49.792 6.675 1.00 0.00 H new ATOM 142 N GLY A 9 36.099 -50.855 7.543 1.00 0.00 N ATOM 143 CA GLY A 9 35.388 -52.087 7.898 1.00 0.00 C ATOM 144 C GLY A 9 33.871 -51.921 7.874 1.00 0.00 C ATOM 145 O GLY A 9 33.330 -50.820 7.770 1.00 0.00 O ATOM 0 H GLY A 9 35.511 -50.038 7.378 1.00 0.00 H new ATOM 0 HA2 GLY A 9 35.673 -52.879 7.205 1.00 0.00 H new ATOM 0 HA3 GLY A 9 35.698 -52.407 8.893 1.00 0.00 H new ATOM 149 N HIS A 10 33.181 -53.049 7.974 1.00 0.00 N ATOM 150 CA HIS A 10 31.713 -53.030 7.975 1.00 0.00 C ATOM 151 C HIS A 10 31.213 -53.612 9.298 1.00 0.00 C ATOM 152 O HIS A 10 31.855 -54.473 9.899 1.00 0.00 O ATOM 153 CB HIS A 10 31.192 -53.891 6.819 1.00 0.00 C ATOM 154 CG HIS A 10 31.597 -53.353 5.464 1.00 0.00 C ATOM 155 ND1 HIS A 10 30.972 -52.298 4.824 1.00 0.00 N ATOM 156 CD2 HIS A 10 32.611 -53.889 4.653 1.00 0.00 C ATOM 157 CE1 HIS A 10 31.676 -52.286 3.648 1.00 0.00 C ATOM 158 NE2 HIS A 10 32.683 -53.196 3.456 1.00 0.00 N ATOM 0 H HIS A 10 33.599 -53.976 8.054 1.00 0.00 H new ATOM 0 HA HIS A 10 31.356 -52.007 7.857 1.00 0.00 H new ATOM 0 HB2 HIS A 10 31.569 -54.908 6.930 1.00 0.00 H new ATOM 0 HB3 HIS A 10 30.105 -53.947 6.874 1.00 0.00 H new ATOM 0 HD2 HIS A 10 33.243 -54.722 4.924 1.00 0.00 H new ATOM 0 HE1 HIS A 10 31.439 -51.566 2.879 1.00 0.00 H new ATOM 0 HE2 HIS A 10 33.307 -53.326 2.659 1.00 0.00 H new ATOM 167 N CYS A 11 30.055 -53.162 9.761 1.00 0.00 N ATOM 168 CA CYS A 11 29.526 -53.704 11.018 1.00 0.00 C ATOM 169 C CYS A 11 28.839 -55.051 10.797 1.00 0.00 C ATOM 170 O CYS A 11 28.081 -55.253 9.848 1.00 0.00 O ATOM 171 CB CYS A 11 28.547 -52.716 11.650 1.00 0.00 C ATOM 172 SG CYS A 11 29.467 -51.386 12.438 1.00 0.00 S ATOM 0 H CYS A 11 29.478 -52.451 9.311 1.00 0.00 H new ATOM 0 HA CYS A 11 30.367 -53.859 11.694 1.00 0.00 H new ATOM 0 HB2 CYS A 11 27.880 -52.311 10.889 1.00 0.00 H new ATOM 0 HB3 CYS A 11 27.922 -53.225 12.384 1.00 0.00 H new ATOM 177 N PHE A 12 29.105 -55.973 11.711 1.00 0.00 N ATOM 178 CA PHE A 12 28.440 -57.279 11.666 1.00 0.00 C ATOM 179 C PHE A 12 27.955 -57.606 13.081 1.00 0.00 C ATOM 180 O PHE A 12 28.699 -57.419 14.045 1.00 0.00 O ATOM 181 CB PHE A 12 29.422 -58.383 11.261 1.00 0.00 C ATOM 182 CG PHE A 12 30.039 -58.197 9.890 1.00 0.00 C ATOM 183 CD1 PHE A 12 31.171 -57.471 9.754 1.00 0.00 C ATOM 184 CD2 PHE A 12 29.496 -58.802 8.811 1.00 0.00 C ATOM 185 CE1 PHE A 12 31.752 -57.341 8.543 1.00 0.00 C ATOM 186 CE2 PHE A 12 30.079 -58.675 7.600 1.00 0.00 C ATOM 187 CZ PHE A 12 31.206 -57.943 7.465 1.00 0.00 C ATOM 0 H PHE A 12 29.763 -55.851 12.481 1.00 0.00 H new ATOM 0 HA PHE A 12 27.626 -57.233 10.943 1.00 0.00 H new ATOM 0 HB2 PHE A 12 30.220 -58.433 12.002 1.00 0.00 H new ATOM 0 HB3 PHE A 12 28.903 -59.341 11.286 1.00 0.00 H new ATOM 0 HD1 PHE A 12 31.612 -56.994 10.617 1.00 0.00 H new ATOM 0 HD2 PHE A 12 28.595 -59.388 8.917 1.00 0.00 H new ATOM 0 HE1 PHE A 12 32.653 -56.756 8.436 1.00 0.00 H new ATOM 0 HE2 PHE A 12 29.644 -59.159 6.738 1.00 0.00 H new ATOM 0 HZ PHE A 12 31.670 -57.839 6.495 1.00 0.00 H new ATOM 197 N PRO A 13 26.748 -58.137 13.259 1.00 0.00 N ATOM 198 CA PRO A 13 26.279 -58.546 14.584 1.00 0.00 C ATOM 199 C PRO A 13 27.179 -59.610 15.217 1.00 0.00 C ATOM 200 O PRO A 13 28.016 -60.224 14.554 1.00 0.00 O ATOM 201 CB PRO A 13 24.885 -59.091 14.267 1.00 0.00 C ATOM 202 CG PRO A 13 24.470 -58.379 12.980 1.00 0.00 C ATOM 203 CD PRO A 13 25.766 -58.252 12.184 1.00 0.00 C ATOM 0 HA PRO A 13 26.282 -57.738 15.315 1.00 0.00 H new ATOM 0 HB2 PRO A 13 24.905 -60.172 14.132 1.00 0.00 H new ATOM 0 HB3 PRO A 13 24.186 -58.883 15.077 1.00 0.00 H new ATOM 0 HG2 PRO A 13 23.721 -58.952 12.432 1.00 0.00 H new ATOM 0 HG3 PRO A 13 24.034 -57.402 13.189 1.00 0.00 H new ATOM 0 HD2 PRO A 13 25.948 -59.121 11.552 1.00 0.00 H new ATOM 0 HD3 PRO A 13 25.765 -57.378 11.532 1.00 0.00 H new ATOM 211 N LYS A 14 27.015 -59.838 16.512 1.00 0.00 N ATOM 212 CA LYS A 14 27.842 -60.850 17.177 1.00 0.00 C ATOM 213 C LYS A 14 27.307 -62.246 16.850 1.00 0.00 C ATOM 214 O LYS A 14 26.506 -62.826 17.584 1.00 0.00 O ATOM 215 CB LYS A 14 27.834 -60.569 18.681 1.00 0.00 C ATOM 216 CG LYS A 14 28.705 -61.554 19.459 1.00 0.00 C ATOM 217 CD LYS A 14 28.683 -61.222 20.950 1.00 0.00 C ATOM 218 CE LYS A 14 29.498 -62.249 21.733 1.00 0.00 C ATOM 219 NZ LYS A 14 29.489 -61.911 23.166 1.00 0.00 N ATOM 0 H LYS A 14 26.343 -59.358 17.111 1.00 0.00 H new ATOM 0 HA LYS A 14 28.872 -60.807 16.823 1.00 0.00 H new ATOM 0 HB2 LYS A 14 28.188 -59.554 18.861 1.00 0.00 H new ATOM 0 HB3 LYS A 14 26.811 -60.620 19.053 1.00 0.00 H new ATOM 0 HG2 LYS A 14 28.345 -62.571 19.301 1.00 0.00 H new ATOM 0 HG3 LYS A 14 29.729 -61.517 19.087 1.00 0.00 H new ATOM 0 HD2 LYS A 14 29.089 -60.224 21.113 1.00 0.00 H new ATOM 0 HD3 LYS A 14 27.655 -61.211 21.312 1.00 0.00 H new ATOM 0 HE2 LYS A 14 29.083 -63.246 21.583 1.00 0.00 H new ATOM 0 HE3 LYS A 14 30.523 -62.271 21.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 30.046 -62.614 23.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 29.905 -60.968 23.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 28.510 -61.912 23.517 1.00 0.00 H new ATOM 233 N GLU A 15 27.757 -62.784 15.726 1.00 0.00 N ATOM 234 CA GLU A 15 27.252 -64.089 15.281 1.00 0.00 C ATOM 235 C GLU A 15 28.295 -64.871 14.474 1.00 0.00 C ATOM 236 O GLU A 15 28.261 -66.101 14.433 1.00 0.00 O ATOM 237 CB GLU A 15 25.969 -63.889 14.462 1.00 0.00 C ATOM 238 CG GLU A 15 26.172 -63.072 13.181 1.00 0.00 C ATOM 239 CD GLU A 15 24.874 -62.929 12.402 1.00 0.00 C ATOM 240 OE1 GLU A 15 24.484 -63.889 11.702 1.00 0.00 O ATOM 241 OE2 GLU A 15 24.240 -61.855 12.479 1.00 0.00 O ATOM 0 H GLU A 15 28.452 -62.357 15.114 1.00 0.00 H new ATOM 0 HA GLU A 15 27.031 -64.685 16.167 1.00 0.00 H new ATOM 0 HB2 GLU A 15 25.562 -64.865 14.198 1.00 0.00 H new ATOM 0 HB3 GLU A 15 25.226 -63.391 15.085 1.00 0.00 H new ATOM 0 HG2 GLU A 15 26.556 -62.084 13.435 1.00 0.00 H new ATOM 0 HG3 GLU A 15 26.922 -63.555 12.555 1.00 0.00 H new ATOM 248 N LYS A 16 29.208 -64.178 13.803 1.00 0.00 N ATOM 249 CA LYS A 16 30.115 -64.865 12.875 1.00 0.00 C ATOM 250 C LYS A 16 31.584 -64.547 13.149 1.00 0.00 C ATOM 251 O LYS A 16 31.945 -63.652 13.914 1.00 0.00 O ATOM 252 CB LYS A 16 29.766 -64.441 11.447 1.00 0.00 C ATOM 253 CG LYS A 16 28.538 -65.188 10.927 1.00 0.00 C ATOM 254 CD LYS A 16 28.131 -64.682 9.542 1.00 0.00 C ATOM 255 CE LYS A 16 29.235 -64.867 8.497 1.00 0.00 C ATOM 256 NZ LYS A 16 29.636 -66.281 8.396 1.00 0.00 N ATOM 0 H LYS A 16 29.343 -63.170 13.876 1.00 0.00 H new ATOM 0 HA LYS A 16 29.985 -65.938 13.012 1.00 0.00 H new ATOM 0 HB2 LYS A 16 29.579 -63.368 11.420 1.00 0.00 H new ATOM 0 HB3 LYS A 16 30.615 -64.633 10.791 1.00 0.00 H new ATOM 0 HG2 LYS A 16 28.751 -66.256 10.879 1.00 0.00 H new ATOM 0 HG3 LYS A 16 27.709 -65.059 11.623 1.00 0.00 H new ATOM 0 HD2 LYS A 16 27.235 -65.210 9.216 1.00 0.00 H new ATOM 0 HD3 LYS A 16 27.872 -63.625 9.607 1.00 0.00 H new ATOM 0 HE2 LYS A 16 28.885 -64.515 7.527 1.00 0.00 H new ATOM 0 HE3 LYS A 16 30.099 -64.259 8.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 30.243 -66.411 7.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 30.160 -66.555 9.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 28.788 -66.876 8.303 1.00 0.00 H new ATOM 270 N ILE A 17 32.439 -65.308 12.480 1.00 0.00 N ATOM 271 CA ILE A 17 33.886 -65.126 12.630 1.00 0.00 C ATOM 272 C ILE A 17 34.354 -63.915 11.821 1.00 0.00 C ATOM 273 O ILE A 17 33.980 -63.723 10.664 1.00 0.00 O ATOM 274 CB ILE A 17 34.585 -66.400 12.124 1.00 0.00 C ATOM 275 CG1 ILE A 17 34.170 -67.604 12.979 1.00 0.00 C ATOM 276 CG2 ILE A 17 36.109 -66.236 12.128 1.00 0.00 C ATOM 277 CD1 ILE A 17 34.817 -68.909 12.511 1.00 0.00 C ATOM 0 H ILE A 17 32.166 -66.049 11.835 1.00 0.00 H new ATOM 0 HA ILE A 17 34.133 -64.951 13.677 1.00 0.00 H new ATOM 0 HB ILE A 17 34.273 -66.574 11.094 1.00 0.00 H new ATOM 0 HG12 ILE A 17 34.444 -67.419 14.018 1.00 0.00 H new ATOM 0 HG13 ILE A 17 33.086 -67.709 12.949 1.00 0.00 H new ATOM 0 HG21 ILE A 17 36.575 -67.152 11.765 1.00 0.00 H new ATOM 0 HG22 ILE A 17 36.387 -65.406 11.478 1.00 0.00 H new ATOM 0 HG23 ILE A 17 36.450 -66.033 13.143 1.00 0.00 H new ATOM 0 HD11 ILE A 17 34.489 -69.728 13.151 1.00 0.00 H new ATOM 0 HD12 ILE A 17 34.522 -69.113 11.482 1.00 0.00 H new ATOM 0 HD13 ILE A 17 35.902 -68.818 12.566 1.00 0.00 H new ATOM 289 N CYS A 18 35.225 -63.117 12.420 1.00 0.00 N ATOM 290 CA CYS A 18 35.905 -62.075 11.646 1.00 0.00 C ATOM 291 C CYS A 18 37.144 -62.711 11.019 1.00 0.00 C ATOM 292 O CYS A 18 38.026 -63.217 11.712 1.00 0.00 O ATOM 293 CB CYS A 18 36.272 -60.924 12.579 1.00 0.00 C ATOM 294 SG CYS A 18 37.089 -59.599 11.668 1.00 0.00 S ATOM 0 H CYS A 18 35.476 -63.162 13.408 1.00 0.00 H new ATOM 0 HA CYS A 18 35.270 -61.671 10.858 1.00 0.00 H new ATOM 0 HB2 CYS A 18 35.373 -60.540 13.061 1.00 0.00 H new ATOM 0 HB3 CYS A 18 36.928 -61.286 13.370 1.00 0.00 H new ATOM 299 N LEU A 19 37.182 -62.742 9.696 1.00 0.00 N ATOM 300 CA LEU A 19 38.214 -63.531 9.015 1.00 0.00 C ATOM 301 C LEU A 19 38.760 -62.702 7.844 1.00 0.00 C ATOM 302 O LEU A 19 38.024 -62.426 6.896 1.00 0.00 O ATOM 303 CB LEU A 19 37.522 -64.822 8.552 1.00 0.00 C ATOM 304 CG LEU A 19 38.443 -65.943 8.051 1.00 0.00 C ATOM 305 CD1 LEU A 19 39.217 -65.551 6.792 1.00 0.00 C ATOM 306 CD2 LEU A 19 39.400 -66.399 9.151 1.00 0.00 C ATOM 0 H LEU A 19 36.534 -62.248 9.082 1.00 0.00 H new ATOM 0 HA LEU A 19 39.062 -63.783 9.652 1.00 0.00 H new ATOM 0 HB2 LEU A 19 36.930 -65.210 9.381 1.00 0.00 H new ATOM 0 HB3 LEU A 19 36.824 -64.569 7.753 1.00 0.00 H new ATOM 0 HG LEU A 19 37.797 -66.778 7.780 1.00 0.00 H new ATOM 0 HD11 LEU A 19 39.852 -66.381 6.482 1.00 0.00 H new ATOM 0 HD12 LEU A 19 38.515 -65.313 5.993 1.00 0.00 H new ATOM 0 HD13 LEU A 19 39.836 -64.679 7.002 1.00 0.00 H new ATOM 0 HD21 LEU A 19 40.041 -67.194 8.769 1.00 0.00 H new ATOM 0 HD22 LEU A 19 40.016 -65.558 9.469 1.00 0.00 H new ATOM 0 HD23 LEU A 19 38.827 -66.771 10.000 1.00 0.00 H new ATOM 318 N PRO A 20 40.027 -62.282 7.854 1.00 0.00 N ATOM 319 CA PRO A 20 41.005 -62.717 8.859 1.00 0.00 C ATOM 320 C PRO A 20 40.740 -62.153 10.261 1.00 0.00 C ATOM 321 O PRO A 20 39.961 -61.215 10.429 1.00 0.00 O ATOM 322 CB PRO A 20 42.316 -62.175 8.284 1.00 0.00 C ATOM 323 CG PRO A 20 42.073 -62.055 6.781 1.00 0.00 C ATOM 324 CD PRO A 20 40.609 -61.637 6.680 1.00 0.00 C ATOM 0 HA PRO A 20 40.986 -63.796 9.014 1.00 0.00 H new ATOM 0 HB2 PRO A 20 42.568 -61.209 8.721 1.00 0.00 H new ATOM 0 HB3 PRO A 20 43.147 -62.847 8.496 1.00 0.00 H new ATOM 0 HG2 PRO A 20 42.732 -61.315 6.327 1.00 0.00 H new ATOM 0 HG3 PRO A 20 42.255 -63.000 6.270 1.00 0.00 H new ATOM 0 HD2 PRO A 20 40.491 -60.554 6.709 1.00 0.00 H new ATOM 0 HD3 PRO A 20 40.149 -61.983 5.754 1.00 0.00 H new ATOM 332 N PRO A 21 41.363 -62.718 11.293 1.00 0.00 N ATOM 333 CA PRO A 21 41.005 -62.394 12.677 1.00 0.00 C ATOM 334 C PRO A 21 41.712 -61.146 13.215 1.00 0.00 C ATOM 335 O PRO A 21 41.220 -60.497 14.138 1.00 0.00 O ATOM 336 CB PRO A 21 41.463 -63.657 13.407 1.00 0.00 C ATOM 337 CG PRO A 21 42.641 -64.175 12.583 1.00 0.00 C ATOM 338 CD PRO A 21 42.252 -63.868 11.137 1.00 0.00 C ATOM 0 HA PRO A 21 39.950 -62.150 12.798 1.00 0.00 H new ATOM 0 HB2 PRO A 21 41.763 -63.436 14.431 1.00 0.00 H new ATOM 0 HB3 PRO A 21 40.663 -64.395 13.462 1.00 0.00 H new ATOM 0 HG2 PRO A 21 43.570 -63.677 12.860 1.00 0.00 H new ATOM 0 HG3 PRO A 21 42.795 -65.243 12.736 1.00 0.00 H new ATOM 0 HD2 PRO A 21 43.121 -63.630 10.523 1.00 0.00 H new ATOM 0 HD3 PRO A 21 41.748 -64.711 10.663 1.00 0.00 H new ATOM 346 N SER A 22 42.862 -60.792 12.654 1.00 0.00 N ATOM 347 CA SER A 22 43.543 -59.570 13.099 1.00 0.00 C ATOM 348 C SER A 22 42.752 -58.303 12.752 1.00 0.00 C ATOM 349 O SER A 22 42.867 -57.285 13.434 1.00 0.00 O ATOM 350 CB SER A 22 44.939 -59.517 12.475 1.00 0.00 C ATOM 351 OG SER A 22 44.851 -59.481 11.057 1.00 0.00 O ATOM 0 H SER A 22 43.335 -61.310 11.914 1.00 0.00 H new ATOM 0 HA SER A 22 43.621 -59.603 14.186 1.00 0.00 H new ATOM 0 HB2 SER A 22 45.471 -58.636 12.834 1.00 0.00 H new ATOM 0 HB3 SER A 22 45.516 -60.387 12.787 1.00 0.00 H new ATOM 0 HG SER A 22 45.752 -59.446 10.674 1.00 0.00 H new ATOM 357 N SER A 23 41.937 -58.351 11.704 1.00 0.00 N ATOM 358 CA SER A 23 41.119 -57.184 11.357 1.00 0.00 C ATOM 359 C SER A 23 39.717 -57.277 11.969 1.00 0.00 C ATOM 360 O SER A 23 38.709 -57.023 11.309 1.00 0.00 O ATOM 361 CB SER A 23 41.052 -57.080 9.832 1.00 0.00 C ATOM 362 OG SER A 23 40.432 -58.235 9.280 1.00 0.00 O ATOM 0 H SER A 23 41.823 -59.159 11.092 1.00 0.00 H new ATOM 0 HA SER A 23 41.576 -56.284 11.769 1.00 0.00 H new ATOM 0 HB2 SER A 23 40.493 -56.189 9.547 1.00 0.00 H new ATOM 0 HB3 SER A 23 42.057 -56.970 9.425 1.00 0.00 H new ATOM 0 HG SER A 23 40.396 -58.152 8.304 1.00 0.00 H new ATOM 368 N ASP A 24 39.649 -57.607 13.253 1.00 0.00 N ATOM 369 CA ASP A 24 38.355 -57.611 13.944 1.00 0.00 C ATOM 370 C ASP A 24 38.324 -56.418 14.897 1.00 0.00 C ATOM 371 O ASP A 24 38.926 -56.432 15.971 1.00 0.00 O ATOM 372 CB ASP A 24 38.192 -58.931 14.706 1.00 0.00 C ATOM 373 CG ASP A 24 36.799 -59.097 15.307 1.00 0.00 C ATOM 374 OD1 ASP A 24 35.857 -58.408 14.860 1.00 0.00 O ATOM 375 OD2 ASP A 24 36.638 -59.930 16.226 1.00 0.00 O ATOM 0 H ASP A 24 40.449 -57.870 13.829 1.00 0.00 H new ATOM 0 HA ASP A 24 37.531 -57.527 13.235 1.00 0.00 H new ATOM 0 HB2 ASP A 24 38.393 -59.763 14.031 1.00 0.00 H new ATOM 0 HB3 ASP A 24 38.935 -58.980 15.502 1.00 0.00 H new ATOM 380 N PHE A 25 37.617 -55.371 14.503 1.00 0.00 N ATOM 381 CA PHE A 25 37.478 -54.214 15.393 1.00 0.00 C ATOM 382 C PHE A 25 36.405 -54.526 16.439 1.00 0.00 C ATOM 383 O PHE A 25 35.590 -55.434 16.278 1.00 0.00 O ATOM 384 CB PHE A 25 37.092 -52.971 14.583 1.00 0.00 C ATOM 385 CG PHE A 25 38.087 -52.640 13.484 1.00 0.00 C ATOM 386 CD1 PHE A 25 39.206 -51.936 13.768 1.00 0.00 C ATOM 387 CD2 PHE A 25 37.843 -53.028 12.213 1.00 0.00 C ATOM 388 CE1 PHE A 25 40.078 -51.627 12.783 1.00 0.00 C ATOM 389 CE2 PHE A 25 38.715 -52.720 11.229 1.00 0.00 C ATOM 390 CZ PHE A 25 39.832 -52.019 11.514 1.00 0.00 C ATOM 0 H PHE A 25 37.142 -55.291 13.604 1.00 0.00 H new ATOM 0 HA PHE A 25 38.426 -54.013 15.892 1.00 0.00 H new ATOM 0 HB2 PHE A 25 36.108 -53.125 14.139 1.00 0.00 H new ATOM 0 HB3 PHE A 25 37.007 -52.118 15.257 1.00 0.00 H new ATOM 0 HD1 PHE A 25 39.403 -51.621 14.782 1.00 0.00 H new ATOM 0 HD2 PHE A 25 36.948 -53.586 11.983 1.00 0.00 H new ATOM 0 HE1 PHE A 25 40.972 -51.066 13.011 1.00 0.00 H new ATOM 0 HE2 PHE A 25 38.518 -53.035 10.215 1.00 0.00 H new ATOM 0 HZ PHE A 25 40.529 -51.771 10.727 1.00 0.00 H new ATOM 400 N GLY A 26 36.405 -53.788 17.539 1.00 0.00 N ATOM 401 CA GLY A 26 35.478 -54.126 18.623 1.00 0.00 C ATOM 402 C GLY A 26 34.160 -53.377 18.478 1.00 0.00 C ATOM 403 O GLY A 26 33.548 -53.338 17.411 1.00 0.00 O ATOM 0 H GLY A 26 37.007 -52.982 17.708 1.00 0.00 H new ATOM 0 HA2 GLY A 26 35.290 -55.200 18.622 1.00 0.00 H new ATOM 0 HA3 GLY A 26 35.933 -53.883 19.583 1.00 0.00 H new ATOM 407 N LYS A 27 33.720 -52.771 19.569 1.00 0.00 N ATOM 408 CA LYS A 27 32.492 -51.973 19.514 1.00 0.00 C ATOM 409 C LYS A 27 32.843 -50.590 18.976 1.00 0.00 C ATOM 410 O LYS A 27 33.353 -49.729 19.694 1.00 0.00 O ATOM 411 CB LYS A 27 31.904 -51.858 20.922 1.00 0.00 C ATOM 412 CG LYS A 27 31.408 -53.213 21.434 1.00 0.00 C ATOM 413 CD LYS A 27 31.056 -53.168 22.922 1.00 0.00 C ATOM 414 CE LYS A 27 32.305 -53.003 23.790 1.00 0.00 C ATOM 415 NZ LYS A 27 31.936 -53.078 25.213 1.00 0.00 N ATOM 0 H LYS A 27 34.174 -52.809 20.481 1.00 0.00 H new ATOM 0 HA LYS A 27 31.756 -52.444 18.863 1.00 0.00 H new ATOM 0 HB2 LYS A 27 32.660 -51.465 21.602 1.00 0.00 H new ATOM 0 HB3 LYS A 27 31.079 -51.146 20.916 1.00 0.00 H new ATOM 0 HG2 LYS A 27 30.531 -53.518 20.863 1.00 0.00 H new ATOM 0 HG3 LYS A 27 32.176 -53.968 21.266 1.00 0.00 H new ATOM 0 HD2 LYS A 27 30.370 -52.342 23.110 1.00 0.00 H new ATOM 0 HD3 LYS A 27 30.536 -54.084 23.202 1.00 0.00 H new ATOM 0 HE2 LYS A 27 33.030 -53.781 23.551 1.00 0.00 H new ATOM 0 HE3 LYS A 27 32.782 -52.046 23.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 32.733 -52.750 25.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 31.107 -52.475 25.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 31.707 -54.062 25.461 1.00 0.00 H new ATOM 429 N MET A 28 32.597 -50.382 17.692 1.00 0.00 N ATOM 430 CA MET A 28 33.031 -49.131 17.068 1.00 0.00 C ATOM 431 C MET A 28 31.885 -48.116 17.128 1.00 0.00 C ATOM 432 O MET A 28 31.524 -47.656 18.212 1.00 0.00 O ATOM 433 CB MET A 28 33.541 -49.451 15.657 1.00 0.00 C ATOM 434 CG MET A 28 34.776 -50.352 15.705 1.00 0.00 C ATOM 435 SD MET A 28 35.522 -50.441 14.070 1.00 0.00 S ATOM 436 CE MET A 28 36.497 -48.930 14.125 1.00 0.00 C ATOM 0 H MET A 28 32.116 -51.036 17.074 1.00 0.00 H new ATOM 0 HA MET A 28 33.861 -48.664 17.598 1.00 0.00 H new ATOM 0 HB2 MET A 28 32.753 -49.941 15.085 1.00 0.00 H new ATOM 0 HB3 MET A 28 33.784 -48.525 15.137 1.00 0.00 H new ATOM 0 HG2 MET A 28 35.496 -49.961 16.424 1.00 0.00 H new ATOM 0 HG3 MET A 28 34.498 -51.350 16.044 1.00 0.00 H new ATOM 0 HE1 MET A 28 37.079 -48.839 13.208 1.00 0.00 H new ATOM 0 HE2 MET A 28 35.832 -48.071 14.220 1.00 0.00 H new ATOM 0 HE3 MET A 28 37.171 -48.963 14.981 1.00 0.00 H new ATOM 446 N ASP A 29 31.296 -47.749 15.996 1.00 0.00 N ATOM 447 CA ASP A 29 30.196 -46.773 16.034 1.00 0.00 C ATOM 448 C ASP A 29 28.848 -47.416 15.687 1.00 0.00 C ATOM 449 O ASP A 29 27.973 -46.781 15.097 1.00 0.00 O ATOM 450 CB ASP A 29 30.515 -45.615 15.081 1.00 0.00 C ATOM 451 CG ASP A 29 30.531 -46.040 13.618 1.00 0.00 C ATOM 452 OD1 ASP A 29 31.520 -46.664 13.176 1.00 0.00 O ATOM 453 OD2 ASP A 29 29.554 -45.742 12.897 1.00 0.00 O ATOM 0 H ASP A 29 31.544 -48.093 15.068 1.00 0.00 H new ATOM 0 HA ASP A 29 30.107 -46.392 17.051 1.00 0.00 H new ATOM 0 HB2 ASP A 29 29.776 -44.825 15.217 1.00 0.00 H new ATOM 0 HB3 ASP A 29 31.485 -45.193 15.342 1.00 0.00 H new ATOM 458 N CYS A 30 28.657 -48.676 16.058 1.00 0.00 N ATOM 459 CA CYS A 30 27.397 -49.347 15.724 1.00 0.00 C ATOM 460 C CYS A 30 26.601 -49.593 17.005 1.00 0.00 C ATOM 461 O CYS A 30 25.733 -48.792 17.353 1.00 0.00 O ATOM 462 CB CYS A 30 27.718 -50.602 14.912 1.00 0.00 C ATOM 463 SG CYS A 30 28.188 -50.081 13.250 1.00 0.00 S ATOM 0 H CYS A 30 29.331 -49.243 16.573 1.00 0.00 H new ATOM 0 HA CYS A 30 26.753 -48.732 15.096 1.00 0.00 H new ATOM 0 HB2 CYS A 30 28.528 -51.162 15.380 1.00 0.00 H new ATOM 0 HB3 CYS A 30 26.853 -51.264 14.874 1.00 0.00 H new ATOM 468 N ARG A 31 26.880 -50.663 17.738 1.00 0.00 N ATOM 469 CA ARG A 31 26.217 -50.814 19.039 1.00 0.00 C ATOM 470 C ARG A 31 27.001 -51.752 19.956 1.00 0.00 C ATOM 471 O ARG A 31 28.106 -52.203 19.653 1.00 0.00 O ATOM 472 CB ARG A 31 24.754 -51.249 18.863 1.00 0.00 C ATOM 473 CG ARG A 31 24.605 -52.693 18.378 1.00 0.00 C ATOM 474 CD ARG A 31 23.140 -53.039 18.109 1.00 0.00 C ATOM 475 NE ARG A 31 22.635 -52.262 16.970 1.00 0.00 N ATOM 476 CZ ARG A 31 21.337 -52.215 16.704 1.00 0.00 C ATOM 477 NH1 ARG A 31 20.462 -52.867 17.447 1.00 0.00 N ATOM 478 NH2 ARG A 31 20.914 -51.504 15.679 1.00 0.00 N ATOM 0 H ARG A 31 27.526 -51.408 17.478 1.00 0.00 H new ATOM 0 HA ARG A 31 26.202 -49.841 19.530 1.00 0.00 H new ATOM 0 HB2 ARG A 31 24.232 -51.137 19.813 1.00 0.00 H new ATOM 0 HB3 ARG A 31 24.267 -50.582 18.151 1.00 0.00 H new ATOM 0 HG2 ARG A 31 25.188 -52.835 17.468 1.00 0.00 H new ATOM 0 HG3 ARG A 31 25.011 -53.374 19.126 1.00 0.00 H new ATOM 0 HD2 ARG A 31 23.043 -54.105 17.903 1.00 0.00 H new ATOM 0 HD3 ARG A 31 22.541 -52.830 18.995 1.00 0.00 H new ATOM 0 HE ARG A 31 23.290 -51.753 16.377 1.00 0.00 H new ATOM 0 HH11 ARG A 31 20.780 -53.420 18.243 1.00 0.00 H new ATOM 0 HH12 ARG A 31 19.468 -52.818 17.225 1.00 0.00 H new ATOM 0 HH21 ARG A 31 21.583 -50.997 15.099 1.00 0.00 H new ATOM 0 HH22 ARG A 31 19.918 -51.461 15.465 1.00 0.00 H new ATOM 492 N TRP A 32 26.418 -52.016 21.115 1.00 0.00 N ATOM 493 CA TRP A 32 27.125 -52.769 22.152 1.00 0.00 C ATOM 494 C TRP A 32 27.466 -54.198 21.726 1.00 0.00 C ATOM 495 O TRP A 32 28.595 -54.657 21.894 1.00 0.00 O ATOM 496 CB TRP A 32 26.204 -52.751 23.374 1.00 0.00 C ATOM 497 CG TRP A 32 26.853 -53.338 24.609 1.00 0.00 C ATOM 498 CD1 TRP A 32 26.526 -54.542 25.237 1.00 0.00 C ATOM 499 CD2 TRP A 32 27.816 -52.755 25.389 1.00 0.00 C ATOM 500 NE1 TRP A 32 27.290 -54.715 26.400 1.00 0.00 N ATOM 501 CE2 TRP A 32 28.071 -53.569 26.453 1.00 0.00 C ATOM 502 CE3 TRP A 32 28.438 -51.572 25.238 1.00 0.00 C ATOM 503 CZ2 TRP A 32 28.955 -53.202 27.403 1.00 0.00 C ATOM 504 CZ3 TRP A 32 29.331 -51.202 26.190 1.00 0.00 C ATOM 505 CH2 TRP A 32 29.584 -52.007 27.261 1.00 0.00 C ATOM 0 H TRP A 32 25.472 -51.727 21.364 1.00 0.00 H new ATOM 0 HA TRP A 32 28.092 -52.312 22.363 1.00 0.00 H new ATOM 0 HB2 TRP A 32 25.903 -51.724 23.581 1.00 0.00 H new ATOM 0 HB3 TRP A 32 25.296 -53.309 23.147 1.00 0.00 H new ATOM 0 HD1 TRP A 32 25.787 -55.243 24.877 1.00 0.00 H new ATOM 0 HE1 TRP A 32 27.275 -55.498 27.053 1.00 0.00 H new ATOM 0 HE3 TRP A 32 28.234 -50.938 24.388 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 29.157 -53.839 28.251 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 29.848 -50.258 26.098 1.00 0.00 H new ATOM 0 HH2 TRP A 32 30.296 -51.689 28.008 1.00 0.00 H new ATOM 516 N ARG A 33 26.494 -54.919 21.191 1.00 0.00 N ATOM 517 CA ARG A 33 26.739 -56.329 20.861 1.00 0.00 C ATOM 518 C ARG A 33 27.095 -56.549 19.385 1.00 0.00 C ATOM 519 O ARG A 33 26.923 -57.652 18.867 1.00 0.00 O ATOM 520 CB ARG A 33 25.495 -57.145 21.230 1.00 0.00 C ATOM 521 CG ARG A 33 25.259 -57.145 22.742 1.00 0.00 C ATOM 522 CD ARG A 33 24.072 -58.030 23.119 1.00 0.00 C ATOM 523 NE ARG A 33 23.929 -58.051 24.578 1.00 0.00 N ATOM 524 CZ ARG A 33 23.025 -58.827 25.159 1.00 0.00 C ATOM 525 NH1 ARG A 33 22.217 -59.591 24.446 1.00 0.00 N ATOM 526 NH2 ARG A 33 22.933 -58.837 26.474 1.00 0.00 N ATOM 0 H ARG A 33 25.557 -54.575 20.979 1.00 0.00 H new ATOM 0 HA ARG A 33 27.604 -56.658 21.437 1.00 0.00 H new ATOM 0 HB2 ARG A 33 24.623 -56.732 20.724 1.00 0.00 H new ATOM 0 HB3 ARG A 33 25.612 -58.170 20.878 1.00 0.00 H new ATOM 0 HG2 ARG A 33 26.155 -57.498 23.252 1.00 0.00 H new ATOM 0 HG3 ARG A 33 25.079 -56.126 23.084 1.00 0.00 H new ATOM 0 HD2 ARG A 33 23.160 -57.651 22.658 1.00 0.00 H new ATOM 0 HD3 ARG A 33 24.223 -59.042 22.742 1.00 0.00 H new ATOM 0 HE ARG A 33 24.532 -57.462 25.152 1.00 0.00 H new ATOM 0 HH11 ARG A 33 22.282 -59.591 23.428 1.00 0.00 H new ATOM 0 HH12 ARG A 33 21.528 -60.181 24.913 1.00 0.00 H new ATOM 0 HH21 ARG A 33 23.554 -58.252 27.033 1.00 0.00 H new ATOM 0 HH22 ARG A 33 22.241 -59.430 26.932 1.00 0.00 H new ATOM 540 N TRP A 34 27.609 -55.539 18.692 1.00 0.00 N ATOM 541 CA TRP A 34 28.027 -55.748 17.299 1.00 0.00 C ATOM 542 C TRP A 34 29.533 -55.504 17.173 1.00 0.00 C ATOM 543 O TRP A 34 30.131 -54.723 17.914 1.00 0.00 O ATOM 544 CB TRP A 34 27.282 -54.781 16.370 1.00 0.00 C ATOM 545 CG TRP A 34 25.834 -55.155 16.087 1.00 0.00 C ATOM 546 CD1 TRP A 34 24.997 -56.012 16.816 1.00 0.00 C ATOM 547 CD2 TRP A 34 25.076 -54.716 15.028 1.00 0.00 C ATOM 548 NE1 TRP A 34 23.733 -56.102 16.219 1.00 0.00 N ATOM 549 CE2 TRP A 34 23.833 -55.276 15.112 1.00 0.00 C ATOM 550 CE3 TRP A 34 25.406 -53.888 14.017 1.00 0.00 C ATOM 551 CZ2 TRP A 34 22.892 -55.011 14.184 1.00 0.00 C ATOM 552 CZ3 TRP A 34 24.459 -53.621 13.083 1.00 0.00 C ATOM 553 CH2 TRP A 34 23.218 -54.174 13.166 1.00 0.00 C ATOM 0 H TRP A 34 27.746 -54.594 19.051 1.00 0.00 H new ATOM 0 HA TRP A 34 27.792 -56.773 17.013 1.00 0.00 H new ATOM 0 HB2 TRP A 34 27.305 -53.785 16.812 1.00 0.00 H new ATOM 0 HB3 TRP A 34 27.819 -54.723 15.423 1.00 0.00 H new ATOM 0 HD1 TRP A 34 25.288 -56.533 17.716 1.00 0.00 H new ATOM 0 HE1 TRP A 34 22.928 -56.648 16.527 1.00 0.00 H new ATOM 0 HE3 TRP A 34 26.392 -53.452 13.953 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 21.908 -55.451 14.248 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 24.693 -52.960 12.262 1.00 0.00 H new ATOM 0 HH2 TRP A 34 22.481 -53.943 12.411 1.00 0.00 H new ATOM 564 N LYS A 35 30.145 -56.167 16.202 1.00 0.00 N ATOM 565 CA LYS A 35 31.566 -55.921 15.921 1.00 0.00 C ATOM 566 C LYS A 35 31.696 -55.212 14.571 1.00 0.00 C ATOM 567 O LYS A 35 30.765 -55.200 13.766 1.00 0.00 O ATOM 568 CB LYS A 35 32.317 -57.251 15.789 1.00 0.00 C ATOM 569 CG LYS A 35 32.202 -58.178 17.000 1.00 0.00 C ATOM 570 CD LYS A 35 33.119 -59.378 16.766 1.00 0.00 C ATOM 571 CE LYS A 35 33.019 -60.411 17.885 1.00 0.00 C ATOM 572 NZ LYS A 35 33.975 -61.498 17.613 1.00 0.00 N ATOM 0 H LYS A 35 29.700 -56.864 15.605 1.00 0.00 H new ATOM 0 HA LYS A 35 31.977 -55.323 16.734 1.00 0.00 H new ATOM 0 HB2 LYS A 35 31.943 -57.777 14.910 1.00 0.00 H new ATOM 0 HB3 LYS A 35 33.371 -57.040 15.610 1.00 0.00 H new ATOM 0 HG2 LYS A 35 32.488 -57.652 17.911 1.00 0.00 H new ATOM 0 HG3 LYS A 35 31.171 -58.506 17.132 1.00 0.00 H new ATOM 0 HD2 LYS A 35 32.863 -59.848 15.817 1.00 0.00 H new ATOM 0 HD3 LYS A 35 34.150 -59.034 16.683 1.00 0.00 H new ATOM 0 HE2 LYS A 35 33.238 -59.948 18.847 1.00 0.00 H new ATOM 0 HE3 LYS A 35 32.005 -60.806 17.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 34.234 -61.964 18.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 33.538 -62.193 16.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 34.828 -61.106 17.166 1.00 0.00 H new ATOM 586 N CYS A 36 32.874 -54.675 14.276 1.00 0.00 N ATOM 587 CA CYS A 36 33.124 -54.199 12.914 1.00 0.00 C ATOM 588 C CYS A 36 34.324 -54.962 12.349 1.00 0.00 C ATOM 589 O CYS A 36 35.376 -55.056 12.979 1.00 0.00 O ATOM 590 CB CYS A 36 33.361 -52.691 12.941 1.00 0.00 C ATOM 591 SG CYS A 36 33.303 -52.048 11.263 1.00 0.00 S ATOM 0 H CYS A 36 33.647 -54.559 14.931 1.00 0.00 H new ATOM 0 HA CYS A 36 32.265 -54.382 12.268 1.00 0.00 H new ATOM 0 HB2 CYS A 36 32.604 -52.204 13.555 1.00 0.00 H new ATOM 0 HB3 CYS A 36 34.328 -52.472 13.393 1.00 0.00 H new ATOM 596 N CYS A 37 34.165 -55.549 11.172 1.00 0.00 N ATOM 597 CA CYS A 37 35.222 -56.416 10.635 1.00 0.00 C ATOM 598 C CYS A 37 35.539 -56.008 9.198 1.00 0.00 C ATOM 599 O CYS A 37 34.702 -55.452 8.486 1.00 0.00 O ATOM 600 CB CYS A 37 34.704 -57.855 10.692 1.00 0.00 C ATOM 601 SG CYS A 37 35.945 -59.033 10.130 1.00 0.00 S ATOM 0 H CYS A 37 33.341 -55.450 10.579 1.00 0.00 H new ATOM 0 HA CYS A 37 36.140 -56.327 11.216 1.00 0.00 H new ATOM 0 HB2 CYS A 37 34.410 -58.096 11.714 1.00 0.00 H new ATOM 0 HB3 CYS A 37 33.811 -57.945 10.074 1.00 0.00 H new ATOM 606 N LYS A 38 36.758 -56.286 8.754 1.00 0.00 N ATOM 607 CA LYS A 38 37.124 -55.920 7.381 1.00 0.00 C ATOM 608 C LYS A 38 37.139 -57.163 6.492 1.00 0.00 C ATOM 609 O LYS A 38 38.194 -57.669 6.108 1.00 0.00 O ATOM 610 CB LYS A 38 38.488 -55.221 7.388 1.00 0.00 C ATOM 611 CG LYS A 38 38.825 -54.657 6.003 1.00 0.00 C ATOM 612 CD LYS A 38 40.152 -53.893 5.994 1.00 0.00 C ATOM 613 CE LYS A 38 41.364 -54.781 6.287 1.00 0.00 C ATOM 614 NZ LYS A 38 41.527 -55.805 5.240 1.00 0.00 N ATOM 0 H LYS A 38 37.490 -56.746 9.296 1.00 0.00 H new ATOM 0 HA LYS A 38 36.385 -55.230 6.973 1.00 0.00 H new ATOM 0 HB2 LYS A 38 38.483 -54.415 8.121 1.00 0.00 H new ATOM 0 HB3 LYS A 38 39.260 -55.926 7.695 1.00 0.00 H new ATOM 0 HG2 LYS A 38 38.874 -55.474 5.283 1.00 0.00 H new ATOM 0 HG3 LYS A 38 38.024 -53.993 5.679 1.00 0.00 H new ATOM 0 HD2 LYS A 38 40.284 -53.419 5.021 1.00 0.00 H new ATOM 0 HD3 LYS A 38 40.108 -53.094 6.734 1.00 0.00 H new ATOM 0 HE2 LYS A 38 42.264 -54.168 6.346 1.00 0.00 H new ATOM 0 HE3 LYS A 38 41.242 -55.263 7.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 42.449 -56.273 5.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 40.768 -56.511 5.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 41.479 -55.355 4.304 1.00 0.00 H new