USER MOD reduce.3.24.130724 H: found=0, std=0, add=300, rem=0, adj=7 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.21 X(o=-0.21,f=-0.47) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ 172:sc=-0.00243 (180deg=-0.0992) USER MOD Single : A 16 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.118) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= -0.0943 USER MOD Single : A 27 LYS NZ :NH3+ -165:sc= -0.0374 (180deg=-0.301) USER MOD Single : A 28 MET CE :methyl 180:sc= -2.14 (180deg=-2.14) USER MOD Single : A 35 LYS NZ :NH3+ -155:sc= 1.26 (180deg=-0.00823!) USER MOD Single : A 38 LYS NZ :NH3+ 164:sc= -0.0344 (180deg=-0.312) USER MOD ----------------------------------------------------------------- ATOM 24 N LYS A 2 29.998 -43.977 11.349 1.00 0.00 N ATOM 25 CA LYS A 2 30.989 -42.914 11.546 1.00 0.00 C ATOM 26 C LYS A 2 32.403 -43.501 11.585 1.00 0.00 C ATOM 27 O LYS A 2 33.223 -43.221 10.711 1.00 0.00 O ATOM 28 CB LYS A 2 30.669 -42.141 12.833 1.00 0.00 C ATOM 29 CG LYS A 2 29.293 -41.463 12.792 1.00 0.00 C ATOM 30 CD LYS A 2 29.216 -40.306 11.790 1.00 0.00 C ATOM 31 CE LYS A 2 30.082 -39.123 12.225 1.00 0.00 C ATOM 32 NZ LYS A 2 29.929 -38.009 11.273 1.00 0.00 N ATOM 0 HA LYS A 2 30.944 -42.219 10.707 1.00 0.00 H new ATOM 0 HB2 LYS A 2 30.707 -42.825 13.681 1.00 0.00 H new ATOM 0 HB3 LYS A 2 31.437 -41.385 12.998 1.00 0.00 H new ATOM 0 HG2 LYS A 2 28.537 -42.206 12.537 1.00 0.00 H new ATOM 0 HG3 LYS A 2 29.050 -41.090 13.787 1.00 0.00 H new ATOM 0 HD2 LYS A 2 29.540 -40.652 10.808 1.00 0.00 H new ATOM 0 HD3 LYS A 2 28.181 -39.981 11.688 1.00 0.00 H new ATOM 0 HE2 LYS A 2 29.794 -38.799 13.225 1.00 0.00 H new ATOM 0 HE3 LYS A 2 31.128 -39.427 12.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 30.521 -37.209 11.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 30.225 -38.319 10.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 28.933 -37.711 11.244 1.00 0.00 H new ATOM 46 N GLN A 3 32.716 -44.299 12.600 1.00 0.00 N ATOM 47 CA GLN A 3 34.092 -44.794 12.739 1.00 0.00 C ATOM 48 C GLN A 3 34.395 -45.954 11.784 1.00 0.00 C ATOM 49 O GLN A 3 35.402 -45.931 11.076 1.00 0.00 O ATOM 50 CB GLN A 3 34.343 -45.189 14.198 1.00 0.00 C ATOM 51 CG GLN A 3 35.822 -45.495 14.451 1.00 0.00 C ATOM 52 CD GLN A 3 36.713 -44.274 14.264 1.00 0.00 C ATOM 53 OE1 GLN A 3 37.163 -43.962 13.163 1.00 0.00 O ATOM 54 NE2 GLN A 3 36.991 -43.575 15.345 1.00 0.00 N ATOM 0 H GLN A 3 32.065 -44.612 13.320 1.00 0.00 H new ATOM 0 HA GLN A 3 34.774 -43.991 12.461 1.00 0.00 H new ATOM 0 HB2 GLN A 3 34.020 -44.382 14.855 1.00 0.00 H new ATOM 0 HB3 GLN A 3 33.742 -46.063 14.448 1.00 0.00 H new ATOM 0 HG2 GLN A 3 35.942 -45.876 15.465 1.00 0.00 H new ATOM 0 HG3 GLN A 3 36.147 -46.285 13.773 1.00 0.00 H new ATOM 0 HE21 GLN A 3 36.605 -43.855 16.247 1.00 0.00 H new ATOM 0 HE22 GLN A 3 37.592 -42.754 15.281 1.00 0.00 H new ATOM 63 N CYS A 4 33.552 -46.981 11.757 1.00 0.00 N ATOM 64 CA CYS A 4 33.839 -48.135 10.892 1.00 0.00 C ATOM 65 C CYS A 4 33.862 -47.781 9.403 1.00 0.00 C ATOM 66 O CYS A 4 34.580 -48.401 8.619 1.00 0.00 O ATOM 67 CB CYS A 4 32.802 -49.233 11.137 1.00 0.00 C ATOM 68 SG CYS A 4 32.960 -49.839 12.821 1.00 0.00 S ATOM 0 H CYS A 4 32.692 -47.046 12.301 1.00 0.00 H new ATOM 0 HA CYS A 4 34.838 -48.483 11.153 1.00 0.00 H new ATOM 0 HB2 CYS A 4 31.798 -48.843 10.972 1.00 0.00 H new ATOM 0 HB3 CYS A 4 32.947 -50.050 10.430 1.00 0.00 H new ATOM 73 N HIS A 5 33.080 -46.792 8.995 1.00 0.00 N ATOM 74 CA HIS A 5 33.051 -46.424 7.575 1.00 0.00 C ATOM 75 C HIS A 5 34.335 -45.710 7.131 1.00 0.00 C ATOM 76 O HIS A 5 34.757 -45.835 5.981 1.00 0.00 O ATOM 77 CB HIS A 5 31.815 -45.550 7.361 1.00 0.00 C ATOM 78 CG HIS A 5 31.485 -45.357 5.898 1.00 0.00 C ATOM 79 ND1 HIS A 5 31.444 -44.130 5.262 1.00 0.00 N ATOM 80 CD2 HIS A 5 31.109 -46.381 5.016 1.00 0.00 C ATOM 81 CE1 HIS A 5 31.042 -44.526 4.013 1.00 0.00 C ATOM 82 NE2 HIS A 5 30.822 -45.857 3.766 1.00 0.00 N ATOM 0 H HIS A 5 32.472 -46.241 9.601 1.00 0.00 H new ATOM 0 HA HIS A 5 32.996 -47.322 6.960 1.00 0.00 H new ATOM 0 HB2 HIS A 5 30.962 -46.004 7.865 1.00 0.00 H new ATOM 0 HB3 HIS A 5 31.978 -44.577 7.824 1.00 0.00 H new ATOM 0 HD2 HIS A 5 31.051 -47.428 5.274 1.00 0.00 H new ATOM 0 HE1 HIS A 5 30.900 -43.796 3.230 1.00 0.00 H new ATOM 0 HE2 HIS A 5 30.531 -46.326 2.908 1.00 0.00 H new ATOM 91 N LYS A 6 34.973 -44.966 8.028 1.00 0.00 N ATOM 92 CA LYS A 6 36.244 -44.317 7.675 1.00 0.00 C ATOM 93 C LYS A 6 37.382 -45.334 7.550 1.00 0.00 C ATOM 94 O LYS A 6 38.198 -45.250 6.633 1.00 0.00 O ATOM 95 CB LYS A 6 36.609 -43.269 8.729 1.00 0.00 C ATOM 96 CG LYS A 6 35.651 -42.076 8.692 1.00 0.00 C ATOM 97 CD LYS A 6 35.999 -41.046 9.768 1.00 0.00 C ATOM 98 CE LYS A 6 37.327 -40.344 9.474 1.00 0.00 C ATOM 99 NZ LYS A 6 37.598 -39.324 10.501 1.00 0.00 N ATOM 0 H LYS A 6 34.649 -44.796 8.980 1.00 0.00 H new ATOM 0 HA LYS A 6 36.110 -43.836 6.706 1.00 0.00 H new ATOM 0 HB2 LYS A 6 36.586 -43.724 9.719 1.00 0.00 H new ATOM 0 HB3 LYS A 6 37.629 -42.923 8.561 1.00 0.00 H new ATOM 0 HG2 LYS A 6 35.691 -41.606 7.710 1.00 0.00 H new ATOM 0 HG3 LYS A 6 34.628 -42.424 8.837 1.00 0.00 H new ATOM 0 HD2 LYS A 6 35.202 -40.305 9.833 1.00 0.00 H new ATOM 0 HD3 LYS A 6 36.055 -41.539 10.739 1.00 0.00 H new ATOM 0 HE2 LYS A 6 38.136 -41.074 9.453 1.00 0.00 H new ATOM 0 HE3 LYS A 6 37.291 -39.879 8.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 38.502 -38.853 10.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 36.833 -38.620 10.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 37.651 -39.778 11.435 1.00 0.00 H new ATOM 113 N LYS A 7 37.462 -46.293 8.465 1.00 0.00 N ATOM 114 CA LYS A 7 38.545 -47.281 8.386 1.00 0.00 C ATOM 115 C LYS A 7 38.314 -48.275 7.244 1.00 0.00 C ATOM 116 O LYS A 7 39.233 -48.596 6.490 1.00 0.00 O ATOM 117 CB LYS A 7 38.667 -48.032 9.714 1.00 0.00 C ATOM 118 CG LYS A 7 39.058 -47.098 10.861 1.00 0.00 C ATOM 119 CD LYS A 7 39.312 -47.899 12.136 1.00 0.00 C ATOM 120 CE LYS A 7 39.636 -46.972 13.308 1.00 0.00 C ATOM 121 NZ LYS A 7 39.920 -47.771 14.513 1.00 0.00 N ATOM 0 H LYS A 7 36.817 -46.412 9.247 1.00 0.00 H new ATOM 0 HA LYS A 7 39.473 -46.746 8.184 1.00 0.00 H new ATOM 0 HB2 LYS A 7 37.718 -48.516 9.946 1.00 0.00 H new ATOM 0 HB3 LYS A 7 39.412 -48.822 9.618 1.00 0.00 H new ATOM 0 HG2 LYS A 7 39.953 -46.536 10.592 1.00 0.00 H new ATOM 0 HG3 LYS A 7 38.265 -46.371 11.033 1.00 0.00 H new ATOM 0 HD2 LYS A 7 38.434 -48.499 12.374 1.00 0.00 H new ATOM 0 HD3 LYS A 7 40.138 -48.592 11.976 1.00 0.00 H new ATOM 0 HE2 LYS A 7 40.496 -46.348 13.063 1.00 0.00 H new ATOM 0 HE3 LYS A 7 38.798 -46.301 13.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 40.140 -47.136 15.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 39.088 -48.348 14.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 40.733 -48.394 14.333 1.00 0.00 H new ATOM 135 N GLY A 8 37.092 -48.776 7.116 1.00 0.00 N ATOM 136 CA GLY A 8 36.800 -49.732 6.045 1.00 0.00 C ATOM 137 C GLY A 8 36.305 -51.049 6.629 1.00 0.00 C ATOM 138 O GLY A 8 36.998 -52.065 6.598 1.00 0.00 O ATOM 0 H GLY A 8 36.303 -48.547 7.721 1.00 0.00 H new ATOM 0 HA2 GLY A 8 36.047 -49.318 5.375 1.00 0.00 H new ATOM 0 HA3 GLY A 8 37.696 -49.905 5.449 1.00 0.00 H new ATOM 142 N GLY A 9 35.094 -51.035 7.165 1.00 0.00 N ATOM 143 CA GLY A 9 34.553 -52.257 7.763 1.00 0.00 C ATOM 144 C GLY A 9 33.033 -52.183 7.848 1.00 0.00 C ATOM 145 O GLY A 9 32.429 -51.111 7.817 1.00 0.00 O ATOM 0 H GLY A 9 34.480 -50.221 7.201 1.00 0.00 H new ATOM 0 HA2 GLY A 9 34.848 -53.121 7.168 1.00 0.00 H new ATOM 0 HA3 GLY A 9 34.972 -52.398 8.759 1.00 0.00 H new ATOM 149 N HIS A 10 32.408 -53.344 7.961 1.00 0.00 N ATOM 150 CA HIS A 10 30.945 -53.381 8.070 1.00 0.00 C ATOM 151 C HIS A 10 30.564 -53.866 9.468 1.00 0.00 C ATOM 152 O HIS A 10 31.238 -54.711 10.057 1.00 0.00 O ATOM 153 CB HIS A 10 30.381 -54.334 7.010 1.00 0.00 C ATOM 154 CG HIS A 10 30.632 -53.835 5.603 1.00 0.00 C ATOM 155 ND1 HIS A 10 31.681 -54.247 4.800 1.00 0.00 N ATOM 156 CD2 HIS A 10 29.829 -52.907 4.922 1.00 0.00 C ATOM 157 CE1 HIS A 10 31.415 -53.517 3.671 1.00 0.00 C ATOM 158 NE2 HIS A 10 30.330 -52.680 3.651 1.00 0.00 N ATOM 0 H HIS A 10 32.868 -54.254 7.980 1.00 0.00 H new ATOM 0 HA HIS A 10 30.531 -52.386 7.908 1.00 0.00 H new ATOM 0 HB2 HIS A 10 30.833 -55.318 7.131 1.00 0.00 H new ATOM 0 HB3 HIS A 10 29.309 -54.455 7.165 1.00 0.00 H new ATOM 0 HD2 HIS A 10 28.947 -52.437 5.331 1.00 0.00 H new ATOM 0 HE1 HIS A 10 32.055 -53.601 2.805 1.00 0.00 H new ATOM 0 HE2 HIS A 10 29.989 -52.066 2.912 1.00 0.00 H new ATOM 167 N CYS A 11 29.470 -53.344 10.008 1.00 0.00 N ATOM 168 CA CYS A 11 29.045 -53.781 11.342 1.00 0.00 C ATOM 169 C CYS A 11 28.323 -55.124 11.270 1.00 0.00 C ATOM 170 O CYS A 11 27.442 -55.352 10.440 1.00 0.00 O ATOM 171 CB CYS A 11 28.120 -52.741 11.975 1.00 0.00 C ATOM 172 SG CYS A 11 29.093 -51.450 12.763 1.00 0.00 S ATOM 0 H CYS A 11 28.876 -52.642 9.567 1.00 0.00 H new ATOM 0 HA CYS A 11 29.938 -53.892 11.957 1.00 0.00 H new ATOM 0 HB2 CYS A 11 27.473 -52.306 11.213 1.00 0.00 H new ATOM 0 HB3 CYS A 11 27.471 -53.218 12.709 1.00 0.00 H new ATOM 177 N PHE A 12 28.699 -56.012 12.178 1.00 0.00 N ATOM 178 CA PHE A 12 28.039 -57.317 12.264 1.00 0.00 C ATOM 179 C PHE A 12 27.925 -57.697 13.743 1.00 0.00 C ATOM 180 O PHE A 12 28.748 -57.274 14.556 1.00 0.00 O ATOM 181 CB PHE A 12 28.889 -58.389 11.572 1.00 0.00 C ATOM 182 CG PHE A 12 29.117 -58.132 10.097 1.00 0.00 C ATOM 183 CD1 PHE A 12 28.087 -58.163 9.223 1.00 0.00 C ATOM 184 CD2 PHE A 12 30.371 -57.898 9.653 1.00 0.00 C ATOM 185 CE1 PHE A 12 28.312 -57.956 7.908 1.00 0.00 C ATOM 186 CE2 PHE A 12 30.597 -57.696 8.338 1.00 0.00 C ATOM 187 CZ PHE A 12 29.567 -57.726 7.465 1.00 0.00 C ATOM 0 H PHE A 12 29.445 -55.862 12.858 1.00 0.00 H new ATOM 0 HA PHE A 12 27.062 -57.258 11.785 1.00 0.00 H new ATOM 0 HB2 PHE A 12 29.855 -58.453 12.073 1.00 0.00 H new ATOM 0 HB3 PHE A 12 28.403 -59.357 11.691 1.00 0.00 H new ATOM 0 HD1 PHE A 12 27.084 -58.353 9.576 1.00 0.00 H new ATOM 0 HD2 PHE A 12 31.194 -57.873 10.352 1.00 0.00 H new ATOM 0 HE1 PHE A 12 27.488 -57.974 7.210 1.00 0.00 H new ATOM 0 HE2 PHE A 12 31.600 -57.511 7.984 1.00 0.00 H new ATOM 0 HZ PHE A 12 29.747 -57.566 6.412 1.00 0.00 H new ATOM 197 N PRO A 13 26.963 -58.530 14.134 1.00 0.00 N ATOM 198 CA PRO A 13 26.912 -59.059 15.500 1.00 0.00 C ATOM 199 C PRO A 13 28.236 -59.697 15.940 1.00 0.00 C ATOM 200 O PRO A 13 29.083 -60.051 15.119 1.00 0.00 O ATOM 201 CB PRO A 13 25.798 -60.102 15.375 1.00 0.00 C ATOM 202 CG PRO A 13 24.920 -59.610 14.224 1.00 0.00 C ATOM 203 CD PRO A 13 25.911 -59.002 13.235 1.00 0.00 C ATOM 0 HA PRO A 13 26.735 -58.294 16.256 1.00 0.00 H new ATOM 0 HB2 PRO A 13 26.205 -61.091 15.165 1.00 0.00 H new ATOM 0 HB3 PRO A 13 25.227 -60.182 16.300 1.00 0.00 H new ATOM 0 HG2 PRO A 13 24.358 -60.428 13.773 1.00 0.00 H new ATOM 0 HG3 PRO A 13 24.193 -58.873 14.564 1.00 0.00 H new ATOM 0 HD2 PRO A 13 26.281 -59.737 12.520 1.00 0.00 H new ATOM 0 HD3 PRO A 13 25.469 -58.190 12.658 1.00 0.00 H new ATOM 211 N LYS A 14 28.424 -59.860 17.243 1.00 0.00 N ATOM 212 CA LYS A 14 29.682 -60.445 17.735 1.00 0.00 C ATOM 213 C LYS A 14 29.917 -61.882 17.251 1.00 0.00 C ATOM 214 O LYS A 14 31.059 -62.311 17.090 1.00 0.00 O ATOM 215 CB LYS A 14 29.724 -60.371 19.266 1.00 0.00 C ATOM 216 CG LYS A 14 28.591 -61.157 19.933 1.00 0.00 C ATOM 217 CD LYS A 14 28.683 -61.063 21.456 1.00 0.00 C ATOM 218 CE LYS A 14 27.500 -61.761 22.131 1.00 0.00 C ATOM 219 NZ LYS A 14 27.531 -63.213 21.877 1.00 0.00 N ATOM 0 H LYS A 14 27.750 -59.607 17.965 1.00 0.00 H new ATOM 0 HA LYS A 14 30.495 -59.853 17.314 1.00 0.00 H new ATOM 0 HB2 LYS A 14 30.682 -60.756 19.617 1.00 0.00 H new ATOM 0 HB3 LYS A 14 29.667 -59.328 19.576 1.00 0.00 H new ATOM 0 HG2 LYS A 14 27.629 -60.770 19.598 1.00 0.00 H new ATOM 0 HG3 LYS A 14 28.638 -62.202 19.626 1.00 0.00 H new ATOM 0 HD2 LYS A 14 29.615 -61.515 21.794 1.00 0.00 H new ATOM 0 HD3 LYS A 14 28.709 -60.016 21.757 1.00 0.00 H new ATOM 0 HE2 LYS A 14 27.527 -61.575 23.205 1.00 0.00 H new ATOM 0 HE3 LYS A 14 26.565 -61.343 21.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 26.802 -63.682 22.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 27.346 -63.393 20.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 28.467 -63.590 22.130 1.00 0.00 H new ATOM 233 N GLU A 15 28.851 -62.634 17.010 1.00 0.00 N ATOM 234 CA GLU A 15 29.015 -64.015 16.535 1.00 0.00 C ATOM 235 C GLU A 15 29.552 -64.106 15.101 1.00 0.00 C ATOM 236 O GLU A 15 30.129 -65.118 14.703 1.00 0.00 O ATOM 237 CB GLU A 15 27.657 -64.720 16.627 1.00 0.00 C ATOM 238 CG GLU A 15 26.628 -64.181 15.627 1.00 0.00 C ATOM 239 CD GLU A 15 25.262 -64.797 15.873 1.00 0.00 C ATOM 240 OE1 GLU A 15 24.666 -64.534 16.939 1.00 0.00 O ATOM 241 OE2 GLU A 15 24.777 -65.548 15.000 1.00 0.00 O ATOM 0 H GLU A 15 27.885 -62.329 17.129 1.00 0.00 H new ATOM 0 HA GLU A 15 29.759 -64.498 17.169 1.00 0.00 H new ATOM 0 HB2 GLU A 15 27.797 -65.787 16.455 1.00 0.00 H new ATOM 0 HB3 GLU A 15 27.265 -64.609 17.638 1.00 0.00 H new ATOM 0 HG2 GLU A 15 26.564 -63.096 15.714 1.00 0.00 H new ATOM 0 HG3 GLU A 15 26.953 -64.401 14.610 1.00 0.00 H new ATOM 248 N LYS A 16 29.324 -63.072 14.304 1.00 0.00 N ATOM 249 CA LYS A 16 29.631 -63.166 12.874 1.00 0.00 C ATOM 250 C LYS A 16 31.084 -62.782 12.607 1.00 0.00 C ATOM 251 O LYS A 16 31.612 -61.804 13.137 1.00 0.00 O ATOM 252 CB LYS A 16 28.682 -62.251 12.098 1.00 0.00 C ATOM 253 CG LYS A 16 27.221 -62.699 12.223 1.00 0.00 C ATOM 254 CD LYS A 16 26.939 -64.057 11.569 1.00 0.00 C ATOM 255 CE LYS A 16 27.172 -64.060 10.055 1.00 0.00 C ATOM 256 NZ LYS A 16 26.255 -63.123 9.381 1.00 0.00 N ATOM 0 H LYS A 16 28.938 -62.178 14.607 1.00 0.00 H new ATOM 0 HA LYS A 16 29.494 -64.196 12.543 1.00 0.00 H new ATOM 0 HB2 LYS A 16 28.781 -61.230 12.467 1.00 0.00 H new ATOM 0 HB3 LYS A 16 28.969 -62.239 11.046 1.00 0.00 H new ATOM 0 HG2 LYS A 16 26.954 -62.751 13.279 1.00 0.00 H new ATOM 0 HG3 LYS A 16 26.578 -61.945 11.768 1.00 0.00 H new ATOM 0 HD2 LYS A 16 27.575 -64.813 12.029 1.00 0.00 H new ATOM 0 HD3 LYS A 16 25.907 -64.343 11.771 1.00 0.00 H new ATOM 0 HE2 LYS A 16 28.204 -63.783 9.841 1.00 0.00 H new ATOM 0 HE3 LYS A 16 27.024 -65.066 9.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 26.310 -63.263 8.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 25.282 -63.298 9.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 26.525 -62.146 9.613 1.00 0.00 H new ATOM 270 N ILE A 17 31.733 -63.581 11.772 1.00 0.00 N ATOM 271 CA ILE A 17 33.154 -63.356 11.489 1.00 0.00 C ATOM 272 C ILE A 17 33.357 -63.314 9.974 1.00 0.00 C ATOM 273 O ILE A 17 32.930 -64.205 9.239 1.00 0.00 O ATOM 274 CB ILE A 17 33.978 -64.492 12.115 1.00 0.00 C ATOM 275 CG1 ILE A 17 33.862 -64.468 13.645 1.00 0.00 C ATOM 276 CG2 ILE A 17 35.451 -64.384 11.703 1.00 0.00 C ATOM 277 CD1 ILE A 17 34.497 -65.707 14.277 1.00 0.00 C ATOM 0 H ILE A 17 31.316 -64.375 11.286 1.00 0.00 H new ATOM 0 HA ILE A 17 33.483 -62.409 11.916 1.00 0.00 H new ATOM 0 HB ILE A 17 33.579 -65.437 11.747 1.00 0.00 H new ATOM 0 HG12 ILE A 17 34.346 -63.572 14.033 1.00 0.00 H new ATOM 0 HG13 ILE A 17 32.811 -64.411 13.930 1.00 0.00 H new ATOM 0 HG21 ILE A 17 36.016 -65.198 12.157 1.00 0.00 H new ATOM 0 HG22 ILE A 17 35.531 -64.448 10.618 1.00 0.00 H new ATOM 0 HG23 ILE A 17 35.854 -63.429 12.041 1.00 0.00 H new ATOM 0 HD11 ILE A 17 34.396 -65.655 15.361 1.00 0.00 H new ATOM 0 HD12 ILE A 17 33.995 -66.601 13.908 1.00 0.00 H new ATOM 0 HD13 ILE A 17 35.554 -65.749 14.013 1.00 0.00 H new ATOM 289 N CYS A 18 34.057 -62.288 9.513 1.00 0.00 N ATOM 290 CA CYS A 18 34.485 -62.267 8.111 1.00 0.00 C ATOM 291 C CYS A 18 35.878 -62.895 8.037 1.00 0.00 C ATOM 292 O CYS A 18 36.883 -62.284 8.399 1.00 0.00 O ATOM 293 CB CYS A 18 34.480 -60.825 7.595 1.00 0.00 C ATOM 294 SG CYS A 18 35.649 -59.809 8.519 1.00 0.00 S ATOM 0 H CYS A 18 34.337 -61.478 10.066 1.00 0.00 H new ATOM 0 HA CYS A 18 33.805 -62.838 7.480 1.00 0.00 H new ATOM 0 HB2 CYS A 18 34.738 -60.812 6.536 1.00 0.00 H new ATOM 0 HB3 CYS A 18 33.478 -60.406 7.684 1.00 0.00 H new ATOM 299 N LEU A 19 35.934 -64.146 7.605 1.00 0.00 N ATOM 300 CA LEU A 19 37.197 -64.893 7.655 1.00 0.00 C ATOM 301 C LEU A 19 38.184 -64.341 6.617 1.00 0.00 C ATOM 302 O LEU A 19 37.775 -64.029 5.499 1.00 0.00 O ATOM 303 CB LEU A 19 36.827 -66.352 7.358 1.00 0.00 C ATOM 304 CG LEU A 19 37.910 -67.354 7.761 1.00 0.00 C ATOM 305 CD1 LEU A 19 37.984 -67.446 9.286 1.00 0.00 C ATOM 306 CD2 LEU A 19 37.569 -68.733 7.205 1.00 0.00 C ATOM 0 H LEU A 19 35.142 -64.663 7.222 1.00 0.00 H new ATOM 0 HA LEU A 19 37.688 -64.804 8.624 1.00 0.00 H new ATOM 0 HB2 LEU A 19 35.904 -66.598 7.883 1.00 0.00 H new ATOM 0 HB3 LEU A 19 36.626 -66.457 6.292 1.00 0.00 H new ATOM 0 HG LEU A 19 38.867 -67.019 7.361 1.00 0.00 H new ATOM 0 HD11 LEU A 19 38.756 -68.161 9.570 1.00 0.00 H new ATOM 0 HD12 LEU A 19 38.226 -66.467 9.698 1.00 0.00 H new ATOM 0 HD13 LEU A 19 37.022 -67.777 9.678 1.00 0.00 H new ATOM 0 HD21 LEU A 19 38.343 -69.444 7.494 1.00 0.00 H new ATOM 0 HD22 LEU A 19 36.609 -69.059 7.605 1.00 0.00 H new ATOM 0 HD23 LEU A 19 37.511 -68.683 6.118 1.00 0.00 H new ATOM 318 N PRO A 20 39.475 -64.182 6.917 1.00 0.00 N ATOM 319 CA PRO A 20 40.091 -64.681 8.155 1.00 0.00 C ATOM 320 C PRO A 20 39.931 -63.706 9.328 1.00 0.00 C ATOM 321 O PRO A 20 39.527 -62.558 9.143 1.00 0.00 O ATOM 322 CB PRO A 20 41.551 -64.818 7.715 1.00 0.00 C ATOM 323 CG PRO A 20 41.744 -63.722 6.667 1.00 0.00 C ATOM 324 CD PRO A 20 40.423 -63.721 5.904 1.00 0.00 C ATOM 0 HA PRO A 20 39.644 -65.600 8.534 1.00 0.00 H new ATOM 0 HB2 PRO A 20 42.232 -64.687 8.556 1.00 0.00 H new ATOM 0 HB3 PRO A 20 41.748 -65.805 7.297 1.00 0.00 H new ATOM 0 HG2 PRO A 20 41.941 -62.755 7.130 1.00 0.00 H new ATOM 0 HG3 PRO A 20 42.587 -63.939 6.010 1.00 0.00 H new ATOM 0 HD2 PRO A 20 40.169 -62.728 5.532 1.00 0.00 H new ATOM 0 HD3 PRO A 20 40.452 -64.387 5.041 1.00 0.00 H new ATOM 332 N PRO A 21 40.226 -64.132 10.557 1.00 0.00 N ATOM 333 CA PRO A 21 39.889 -63.337 11.740 1.00 0.00 C ATOM 334 C PRO A 21 41.051 -62.437 12.165 1.00 0.00 C ATOM 335 O PRO A 21 41.492 -62.443 13.315 1.00 0.00 O ATOM 336 CB PRO A 21 39.661 -64.449 12.762 1.00 0.00 C ATOM 337 CG PRO A 21 40.675 -65.523 12.370 1.00 0.00 C ATOM 338 CD PRO A 21 40.657 -65.502 10.842 1.00 0.00 C ATOM 0 HA PRO A 21 39.050 -62.655 11.601 1.00 0.00 H new ATOM 0 HB2 PRO A 21 39.826 -64.096 13.780 1.00 0.00 H new ATOM 0 HB3 PRO A 21 38.640 -64.829 12.718 1.00 0.00 H new ATOM 0 HG2 PRO A 21 41.667 -65.298 12.761 1.00 0.00 H new ATOM 0 HG3 PRO A 21 40.393 -66.501 12.760 1.00 0.00 H new ATOM 0 HD2 PRO A 21 41.639 -65.716 10.420 1.00 0.00 H new ATOM 0 HD3 PRO A 21 39.967 -66.240 10.433 1.00 0.00 H new ATOM 346 N SER A 22 41.564 -61.665 11.222 1.00 0.00 N ATOM 347 CA SER A 22 42.756 -60.860 11.509 1.00 0.00 C ATOM 348 C SER A 22 42.369 -59.461 11.991 1.00 0.00 C ATOM 349 O SER A 22 42.732 -59.053 13.094 1.00 0.00 O ATOM 350 CB SER A 22 43.626 -60.805 10.252 1.00 0.00 C ATOM 351 OG SER A 22 44.815 -60.070 10.510 1.00 0.00 O ATOM 0 H SER A 22 41.193 -61.574 10.276 1.00 0.00 H new ATOM 0 HA SER A 22 43.327 -61.321 12.315 1.00 0.00 H new ATOM 0 HB2 SER A 22 43.877 -61.816 9.930 1.00 0.00 H new ATOM 0 HB3 SER A 22 43.072 -60.339 9.437 1.00 0.00 H new ATOM 0 HG SER A 22 45.365 -60.043 9.699 1.00 0.00 H new ATOM 357 N SER A 23 41.641 -58.713 11.172 1.00 0.00 N ATOM 358 CA SER A 23 41.264 -57.355 11.575 1.00 0.00 C ATOM 359 C SER A 23 39.825 -57.359 12.086 1.00 0.00 C ATOM 360 O SER A 23 38.878 -57.033 11.371 1.00 0.00 O ATOM 361 CB SER A 23 41.446 -56.423 10.376 1.00 0.00 C ATOM 362 OG SER A 23 41.082 -55.094 10.728 1.00 0.00 O ATOM 0 H SER A 23 41.307 -59.006 10.254 1.00 0.00 H new ATOM 0 HA SER A 23 41.898 -56.997 12.386 1.00 0.00 H new ATOM 0 HB2 SER A 23 42.483 -56.447 10.041 1.00 0.00 H new ATOM 0 HB3 SER A 23 40.834 -56.767 9.542 1.00 0.00 H new ATOM 0 HG SER A 23 41.203 -54.506 9.954 1.00 0.00 H new ATOM 368 N ASP A 24 39.660 -57.734 13.346 1.00 0.00 N ATOM 369 CA ASP A 24 38.316 -57.774 13.924 1.00 0.00 C ATOM 370 C ASP A 24 38.207 -56.640 14.944 1.00 0.00 C ATOM 371 O ASP A 24 38.753 -56.707 16.046 1.00 0.00 O ATOM 372 CB ASP A 24 38.110 -59.153 14.558 1.00 0.00 C ATOM 373 CG ASP A 24 36.662 -59.387 14.964 1.00 0.00 C ATOM 374 OD1 ASP A 24 35.782 -59.393 14.076 1.00 0.00 O ATOM 375 OD2 ASP A 24 36.396 -59.582 16.170 1.00 0.00 O ATOM 0 H ASP A 24 40.413 -58.009 13.976 1.00 0.00 H new ATOM 0 HA ASP A 24 37.538 -57.630 13.175 1.00 0.00 H new ATOM 0 HB2 ASP A 24 38.417 -59.925 13.853 1.00 0.00 H new ATOM 0 HB3 ASP A 24 38.751 -59.248 15.434 1.00 0.00 H new ATOM 380 N PHE A 25 37.521 -55.571 14.565 1.00 0.00 N ATOM 381 CA PHE A 25 37.408 -54.419 15.466 1.00 0.00 C ATOM 382 C PHE A 25 36.296 -54.668 16.484 1.00 0.00 C ATOM 383 O PHE A 25 35.397 -55.480 16.267 1.00 0.00 O ATOM 384 CB PHE A 25 37.085 -53.155 14.663 1.00 0.00 C ATOM 385 CG PHE A 25 38.054 -52.906 13.522 1.00 0.00 C ATOM 386 CD1 PHE A 25 39.342 -52.576 13.768 1.00 0.00 C ATOM 387 CD2 PHE A 25 37.619 -53.010 12.247 1.00 0.00 C ATOM 388 CE1 PHE A 25 40.189 -52.345 12.741 1.00 0.00 C ATOM 389 CE2 PHE A 25 38.465 -52.775 11.221 1.00 0.00 C ATOM 390 CZ PHE A 25 39.749 -52.442 11.468 1.00 0.00 C ATOM 0 H PHE A 25 37.045 -55.471 13.668 1.00 0.00 H new ATOM 0 HA PHE A 25 38.356 -54.283 15.986 1.00 0.00 H new ATOM 0 HB2 PHE A 25 36.075 -53.236 14.262 1.00 0.00 H new ATOM 0 HB3 PHE A 25 37.094 -52.295 15.333 1.00 0.00 H new ATOM 0 HD1 PHE A 25 39.694 -52.497 14.786 1.00 0.00 H new ATOM 0 HD2 PHE A 25 36.593 -53.282 12.048 1.00 0.00 H new ATOM 0 HE1 PHE A 25 41.218 -52.083 12.938 1.00 0.00 H new ATOM 0 HE2 PHE A 25 38.114 -52.854 10.203 1.00 0.00 H new ATOM 0 HZ PHE A 25 40.425 -52.253 10.647 1.00 0.00 H new ATOM 400 N GLY A 26 36.353 -53.966 17.607 1.00 0.00 N ATOM 401 CA GLY A 26 35.394 -54.236 18.685 1.00 0.00 C ATOM 402 C GLY A 26 34.119 -53.415 18.524 1.00 0.00 C ATOM 403 O GLY A 26 33.582 -53.273 17.426 1.00 0.00 O ATOM 0 H GLY A 26 37.028 -53.226 17.799 1.00 0.00 H new ATOM 0 HA2 GLY A 26 35.145 -55.297 18.693 1.00 0.00 H new ATOM 0 HA3 GLY A 26 35.854 -54.009 19.647 1.00 0.00 H new ATOM 407 N LYS A 27 33.622 -52.863 19.625 1.00 0.00 N ATOM 408 CA LYS A 27 32.435 -52.006 19.526 1.00 0.00 C ATOM 409 C LYS A 27 32.849 -50.647 18.957 1.00 0.00 C ATOM 410 O LYS A 27 33.481 -49.822 19.616 1.00 0.00 O ATOM 411 CB LYS A 27 31.714 -51.887 20.876 1.00 0.00 C ATOM 412 CG LYS A 27 32.561 -51.251 21.984 1.00 0.00 C ATOM 413 CD LYS A 27 31.788 -51.150 23.301 1.00 0.00 C ATOM 414 CE LYS A 27 30.599 -50.191 23.212 1.00 0.00 C ATOM 415 NZ LYS A 27 31.056 -48.824 22.907 1.00 0.00 N ATOM 0 H LYS A 27 34.001 -52.983 20.565 1.00 0.00 H new ATOM 0 HA LYS A 27 31.713 -52.458 18.845 1.00 0.00 H new ATOM 0 HB2 LYS A 27 30.808 -51.296 20.741 1.00 0.00 H new ATOM 0 HB3 LYS A 27 31.401 -52.880 21.197 1.00 0.00 H new ATOM 0 HG2 LYS A 27 33.464 -51.842 22.137 1.00 0.00 H new ATOM 0 HG3 LYS A 27 32.880 -50.256 21.672 1.00 0.00 H new ATOM 0 HD2 LYS A 27 31.431 -52.140 23.586 1.00 0.00 H new ATOM 0 HD3 LYS A 27 32.462 -50.815 24.089 1.00 0.00 H new ATOM 0 HE2 LYS A 27 29.909 -50.530 22.440 1.00 0.00 H new ATOM 0 HE3 LYS A 27 30.050 -50.195 24.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 30.287 -48.150 23.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 31.877 -48.591 23.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 31.327 -48.764 21.905 1.00 0.00 H new ATOM 429 N MET A 28 32.522 -50.431 17.694 1.00 0.00 N ATOM 430 CA MET A 28 33.009 -49.231 17.010 1.00 0.00 C ATOM 431 C MET A 28 31.949 -48.130 17.075 1.00 0.00 C ATOM 432 O MET A 28 32.065 -47.195 17.867 1.00 0.00 O ATOM 433 CB MET A 28 33.364 -49.629 15.575 1.00 0.00 C ATOM 434 CG MET A 28 34.625 -50.492 15.500 1.00 0.00 C ATOM 435 SD MET A 28 36.089 -49.454 15.625 1.00 0.00 S ATOM 436 CE MET A 28 36.126 -48.837 13.933 1.00 0.00 C ATOM 0 H MET A 28 31.938 -51.048 17.129 1.00 0.00 H new ATOM 0 HA MET A 28 33.900 -48.827 17.490 1.00 0.00 H new ATOM 0 HB2 MET A 28 32.528 -50.174 15.135 1.00 0.00 H new ATOM 0 HB3 MET A 28 33.508 -48.729 14.977 1.00 0.00 H new ATOM 0 HG2 MET A 28 34.621 -51.227 16.305 1.00 0.00 H new ATOM 0 HG3 MET A 28 34.641 -51.046 14.562 1.00 0.00 H new ATOM 0 HE1 MET A 28 36.976 -48.166 13.809 1.00 0.00 H new ATOM 0 HE2 MET A 28 36.221 -49.675 13.242 1.00 0.00 H new ATOM 0 HE3 MET A 28 35.203 -48.296 13.723 1.00 0.00 H new ATOM 446 N ASP A 29 30.902 -48.227 16.265 1.00 0.00 N ATOM 447 CA ASP A 29 29.835 -47.220 16.333 1.00 0.00 C ATOM 448 C ASP A 29 28.509 -47.825 15.860 1.00 0.00 C ATOM 449 O ASP A 29 27.883 -47.357 14.909 1.00 0.00 O ATOM 450 CB ASP A 29 30.224 -45.975 15.522 1.00 0.00 C ATOM 451 CG ASP A 29 30.403 -46.244 14.033 1.00 0.00 C ATOM 452 OD1 ASP A 29 31.404 -46.882 13.642 1.00 0.00 O ATOM 453 OD2 ASP A 29 29.541 -45.804 13.242 1.00 0.00 O ATOM 0 H ASP A 29 30.764 -48.964 15.573 1.00 0.00 H new ATOM 0 HA ASP A 29 29.701 -46.904 17.367 1.00 0.00 H new ATOM 0 HB2 ASP A 29 29.457 -45.212 15.654 1.00 0.00 H new ATOM 0 HB3 ASP A 29 31.152 -45.567 15.922 1.00 0.00 H new ATOM 458 N CYS A 30 28.069 -48.883 16.528 1.00 0.00 N ATOM 459 CA CYS A 30 26.859 -49.575 16.073 1.00 0.00 C ATOM 460 C CYS A 30 26.013 -50.025 17.265 1.00 0.00 C ATOM 461 O CYS A 30 24.938 -49.479 17.513 1.00 0.00 O ATOM 462 CB CYS A 30 27.283 -50.750 15.190 1.00 0.00 C ATOM 463 SG CYS A 30 27.851 -50.126 13.598 1.00 0.00 S ATOM 0 H CYS A 30 28.510 -49.275 17.360 1.00 0.00 H new ATOM 0 HA CYS A 30 26.232 -48.901 15.488 1.00 0.00 H new ATOM 0 HB2 CYS A 30 28.078 -51.316 15.676 1.00 0.00 H new ATOM 0 HB3 CYS A 30 26.446 -51.433 15.048 1.00 0.00 H new ATOM 468 N ARG A 31 26.469 -51.027 18.007 1.00 0.00 N ATOM 469 CA ARG A 31 25.665 -51.528 19.124 1.00 0.00 C ATOM 470 C ARG A 31 26.589 -52.102 20.204 1.00 0.00 C ATOM 471 O ARG A 31 27.779 -52.333 19.986 1.00 0.00 O ATOM 472 CB ARG A 31 24.682 -52.566 18.568 1.00 0.00 C ATOM 473 CG ARG A 31 23.653 -52.989 19.613 1.00 0.00 C ATOM 474 CD ARG A 31 22.541 -53.836 18.993 1.00 0.00 C ATOM 475 NE ARG A 31 21.546 -54.187 20.015 1.00 0.00 N ATOM 476 CZ ARG A 31 20.563 -53.349 20.324 1.00 0.00 C ATOM 477 NH1 ARG A 31 20.450 -52.178 19.726 1.00 0.00 N ATOM 478 NH2 ARG A 31 19.683 -53.689 21.245 1.00 0.00 N ATOM 0 H ARG A 31 27.362 -51.499 17.866 1.00 0.00 H new ATOM 0 HA ARG A 31 25.091 -50.731 19.597 1.00 0.00 H new ATOM 0 HB2 ARG A 31 24.169 -52.152 17.700 1.00 0.00 H new ATOM 0 HB3 ARG A 31 25.233 -53.442 18.225 1.00 0.00 H new ATOM 0 HG2 ARG A 31 24.146 -53.556 20.403 1.00 0.00 H new ATOM 0 HG3 ARG A 31 23.221 -52.103 20.079 1.00 0.00 H new ATOM 0 HD2 ARG A 31 22.063 -53.286 18.182 1.00 0.00 H new ATOM 0 HD3 ARG A 31 22.963 -54.742 18.558 1.00 0.00 H new ATOM 0 HE ARG A 31 21.611 -55.086 20.493 1.00 0.00 H new ATOM 0 HH11 ARG A 31 21.125 -51.903 19.012 1.00 0.00 H new ATOM 0 HH12 ARG A 31 19.688 -51.548 19.977 1.00 0.00 H new ATOM 0 HH21 ARG A 31 19.760 -54.591 21.715 1.00 0.00 H new ATOM 0 HH22 ARG A 31 18.926 -53.050 21.487 1.00 0.00 H new ATOM 492 N TRP A 32 26.039 -52.320 21.391 1.00 0.00 N ATOM 493 CA TRP A 32 26.851 -52.818 22.509 1.00 0.00 C ATOM 494 C TRP A 32 27.486 -54.181 22.220 1.00 0.00 C ATOM 495 O TRP A 32 28.679 -54.383 22.443 1.00 0.00 O ATOM 496 CB TRP A 32 25.939 -52.880 23.741 1.00 0.00 C ATOM 497 CG TRP A 32 26.675 -53.289 25.001 1.00 0.00 C ATOM 498 CD1 TRP A 32 26.547 -54.498 25.693 1.00 0.00 C ATOM 499 CD2 TRP A 32 27.553 -52.532 25.733 1.00 0.00 C ATOM 500 NE1 TRP A 32 27.354 -54.502 26.839 1.00 0.00 N ATOM 501 CE2 TRP A 32 27.955 -53.254 26.820 1.00 0.00 C ATOM 502 CE3 TRP A 32 27.979 -51.275 25.522 1.00 0.00 C ATOM 503 CZ2 TRP A 32 28.805 -52.722 27.721 1.00 0.00 C ATOM 504 CZ3 TRP A 32 28.832 -50.739 26.430 1.00 0.00 C ATOM 505 CH2 TRP A 32 29.241 -51.454 27.515 1.00 0.00 C ATOM 0 H TRP A 32 25.055 -52.166 21.609 1.00 0.00 H new ATOM 0 HA TRP A 32 27.689 -52.141 22.677 1.00 0.00 H new ATOM 0 HB2 TRP A 32 25.479 -51.904 23.896 1.00 0.00 H new ATOM 0 HB3 TRP A 32 25.131 -53.587 23.553 1.00 0.00 H new ATOM 0 HD1 TRP A 32 25.913 -55.317 25.386 1.00 0.00 H new ATOM 0 HE1 TRP A 32 27.471 -55.248 27.525 1.00 0.00 H new ATOM 0 HE3 TRP A 32 27.654 -50.712 24.660 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 29.129 -53.289 28.581 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 29.192 -49.730 26.291 1.00 0.00 H new ATOM 0 HH2 TRP A 32 29.923 -51.005 28.222 1.00 0.00 H new ATOM 516 N ARG A 33 26.691 -55.124 21.737 1.00 0.00 N ATOM 517 CA ARG A 33 27.225 -56.471 21.488 1.00 0.00 C ATOM 518 C ARG A 33 27.553 -56.722 20.010 1.00 0.00 C ATOM 519 O ARG A 33 27.779 -57.865 19.610 1.00 0.00 O ATOM 520 CB ARG A 33 26.209 -57.510 21.976 1.00 0.00 C ATOM 521 CG ARG A 33 26.028 -57.442 23.494 1.00 0.00 C ATOM 522 CD ARG A 33 24.980 -58.445 23.971 1.00 0.00 C ATOM 523 NE ARG A 33 24.912 -58.444 25.436 1.00 0.00 N ATOM 524 CZ ARG A 33 23.994 -59.168 26.063 1.00 0.00 C ATOM 525 NH1 ARG A 33 23.108 -59.873 25.385 1.00 0.00 N ATOM 526 NH2 ARG A 33 23.963 -59.187 27.380 1.00 0.00 N ATOM 0 H ARG A 33 25.704 -54.998 21.513 1.00 0.00 H new ATOM 0 HA ARG A 33 28.163 -56.557 22.037 1.00 0.00 H new ATOM 0 HB2 ARG A 33 25.250 -57.342 21.486 1.00 0.00 H new ATOM 0 HB3 ARG A 33 26.542 -58.508 21.692 1.00 0.00 H new ATOM 0 HG2 ARG A 33 26.979 -57.645 23.986 1.00 0.00 H new ATOM 0 HG3 ARG A 33 25.729 -56.434 23.782 1.00 0.00 H new ATOM 0 HD2 ARG A 33 24.006 -58.191 23.554 1.00 0.00 H new ATOM 0 HD3 ARG A 33 25.230 -59.443 23.611 1.00 0.00 H new ATOM 0 HE ARG A 33 25.573 -57.885 25.975 1.00 0.00 H new ATOM 0 HH11 ARG A 33 23.123 -59.866 24.365 1.00 0.00 H new ATOM 0 HH12 ARG A 33 22.408 -60.425 25.881 1.00 0.00 H new ATOM 0 HH21 ARG A 33 24.643 -58.646 27.914 1.00 0.00 H new ATOM 0 HH22 ARG A 33 23.259 -59.742 27.866 1.00 0.00 H new ATOM 540 N TRP A 34 27.599 -55.682 19.185 1.00 0.00 N ATOM 541 CA TRP A 34 27.983 -55.878 17.780 1.00 0.00 C ATOM 542 C TRP A 34 29.380 -55.299 17.547 1.00 0.00 C ATOM 543 O TRP A 34 29.922 -54.553 18.364 1.00 0.00 O ATOM 544 CB TRP A 34 26.972 -55.194 16.852 1.00 0.00 C ATOM 545 CG TRP A 34 25.605 -55.858 16.806 1.00 0.00 C ATOM 546 CD1 TRP A 34 25.066 -56.829 17.665 1.00 0.00 C ATOM 547 CD2 TRP A 34 24.643 -55.636 15.851 1.00 0.00 C ATOM 548 NE1 TRP A 34 23.779 -57.199 17.250 1.00 0.00 N ATOM 549 CE2 TRP A 34 23.565 -56.430 16.117 1.00 0.00 C ATOM 550 CE3 TRP A 34 24.669 -54.817 14.782 1.00 0.00 C ATOM 551 CZ2 TRP A 34 22.481 -56.411 15.313 1.00 0.00 C ATOM 552 CZ3 TRP A 34 23.581 -54.798 13.975 1.00 0.00 C ATOM 553 CH2 TRP A 34 22.499 -55.582 14.238 1.00 0.00 C ATOM 0 H TRP A 34 27.384 -54.720 19.447 1.00 0.00 H new ATOM 0 HA TRP A 34 27.991 -56.945 17.559 1.00 0.00 H new ATOM 0 HB2 TRP A 34 26.848 -54.159 17.171 1.00 0.00 H new ATOM 0 HB3 TRP A 34 27.384 -55.169 15.843 1.00 0.00 H new ATOM 0 HD1 TRP A 34 25.573 -57.235 18.527 1.00 0.00 H new ATOM 0 HE1 TRP A 34 23.148 -57.875 17.681 1.00 0.00 H new ATOM 0 HE3 TRP A 34 25.528 -54.196 14.575 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 21.625 -57.037 15.519 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 23.572 -54.151 13.110 1.00 0.00 H new ATOM 0 HH2 TRP A 34 21.642 -55.544 13.582 1.00 0.00 H new ATOM 564 N LYS A 35 29.980 -55.653 16.418 1.00 0.00 N ATOM 565 CA LYS A 35 31.359 -55.225 16.156 1.00 0.00 C ATOM 566 C LYS A 35 31.583 -54.983 14.658 1.00 0.00 C ATOM 567 O LYS A 35 30.713 -55.252 13.831 1.00 0.00 O ATOM 568 CB LYS A 35 32.306 -56.311 16.676 1.00 0.00 C ATOM 569 CG LYS A 35 32.163 -57.625 15.903 1.00 0.00 C ATOM 570 CD LYS A 35 33.153 -58.666 16.418 1.00 0.00 C ATOM 571 CE LYS A 35 33.032 -59.955 15.607 1.00 0.00 C ATOM 572 NZ LYS A 35 34.037 -60.925 16.068 1.00 0.00 N ATOM 0 H LYS A 35 29.554 -56.219 15.684 1.00 0.00 H new ATOM 0 HA LYS A 35 31.555 -54.283 16.668 1.00 0.00 H new ATOM 0 HB2 LYS A 35 33.335 -55.959 16.602 1.00 0.00 H new ATOM 0 HB3 LYS A 35 32.105 -56.490 17.732 1.00 0.00 H new ATOM 0 HG2 LYS A 35 31.146 -58.003 16.004 1.00 0.00 H new ATOM 0 HG3 LYS A 35 32.334 -57.448 14.841 1.00 0.00 H new ATOM 0 HD2 LYS A 35 34.169 -58.278 16.348 1.00 0.00 H new ATOM 0 HD3 LYS A 35 32.961 -58.871 17.471 1.00 0.00 H new ATOM 0 HE2 LYS A 35 32.031 -60.373 15.717 1.00 0.00 H new ATOM 0 HE3 LYS A 35 33.175 -59.744 14.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 34.253 -61.592 15.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 34.904 -60.422 16.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 33.665 -61.448 16.886 1.00 0.00 H new ATOM 586 N CYS A 36 32.762 -54.490 14.291 1.00 0.00 N ATOM 587 CA CYS A 36 33.057 -54.307 12.863 1.00 0.00 C ATOM 588 C CYS A 36 34.117 -55.316 12.425 1.00 0.00 C ATOM 589 O CYS A 36 35.211 -55.381 12.985 1.00 0.00 O ATOM 590 CB CYS A 36 33.554 -52.883 12.616 1.00 0.00 C ATOM 591 SG CYS A 36 32.238 -51.701 12.957 1.00 0.00 S ATOM 0 H CYS A 36 33.508 -54.217 14.931 1.00 0.00 H new ATOM 0 HA CYS A 36 32.149 -54.470 12.282 1.00 0.00 H new ATOM 0 HB2 CYS A 36 34.415 -52.674 13.252 1.00 0.00 H new ATOM 0 HB3 CYS A 36 33.888 -52.780 11.583 1.00 0.00 H new ATOM 596 N CYS A 37 33.799 -56.113 11.413 1.00 0.00 N ATOM 597 CA CYS A 37 34.751 -57.138 10.968 1.00 0.00 C ATOM 598 C CYS A 37 35.418 -56.717 9.658 1.00 0.00 C ATOM 599 O CYS A 37 34.846 -56.006 8.831 1.00 0.00 O ATOM 600 CB CYS A 37 34.006 -58.463 10.810 1.00 0.00 C ATOM 601 SG CYS A 37 35.166 -59.796 10.462 1.00 0.00 S ATOM 0 H CYS A 37 32.921 -56.079 10.895 1.00 0.00 H new ATOM 0 HA CYS A 37 35.541 -57.258 11.709 1.00 0.00 H new ATOM 0 HB2 CYS A 37 33.449 -58.685 11.720 1.00 0.00 H new ATOM 0 HB3 CYS A 37 33.279 -58.385 10.002 1.00 0.00 H new ATOM 606 N LYS A 38 36.653 -57.161 9.474 1.00 0.00 N ATOM 607 CA LYS A 38 37.408 -56.762 8.283 1.00 0.00 C ATOM 608 C LYS A 38 38.356 -57.909 7.922 1.00 0.00 C ATOM 609 O LYS A 38 39.060 -58.450 8.774 1.00 0.00 O ATOM 610 CB LYS A 38 38.120 -55.444 8.620 1.00 0.00 C ATOM 611 CG LYS A 38 38.668 -54.683 7.408 1.00 0.00 C ATOM 612 CD LYS A 38 39.992 -55.253 6.892 1.00 0.00 C ATOM 613 CE LYS A 38 40.571 -54.396 5.764 1.00 0.00 C ATOM 614 NZ LYS A 38 40.953 -53.061 6.260 1.00 0.00 N ATOM 0 H LYS A 38 37.149 -57.782 10.113 1.00 0.00 H new ATOM 0 HA LYS A 38 36.784 -56.583 7.407 1.00 0.00 H new ATOM 0 HB2 LYS A 38 37.424 -54.797 9.153 1.00 0.00 H new ATOM 0 HB3 LYS A 38 38.944 -55.656 9.301 1.00 0.00 H new ATOM 0 HG2 LYS A 38 37.930 -54.709 6.606 1.00 0.00 H new ATOM 0 HG3 LYS A 38 38.810 -53.636 7.677 1.00 0.00 H new ATOM 0 HD2 LYS A 38 40.709 -55.310 7.711 1.00 0.00 H new ATOM 0 HD3 LYS A 38 39.836 -56.271 6.534 1.00 0.00 H new ATOM 0 HE2 LYS A 38 41.442 -54.892 5.336 1.00 0.00 H new ATOM 0 HE3 LYS A 38 39.836 -54.295 4.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 41.579 -52.600 5.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 40.099 -52.483 6.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 41.451 -53.157 7.168 1.00 0.00 H new