USER MOD reduce.3.24.130724 H: found=0, std=0, add=448, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 449 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 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= -0.0675 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.839 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 70:sc= 1.26 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 19 N MET A 3 5.802 1.260 1.913 1.00 0.00 N ATOM 20 CA MET A 3 5.973 1.947 3.187 1.00 0.00 C ATOM 21 C MET A 3 7.335 2.629 3.259 1.00 0.00 C ATOM 22 O MET A 3 7.460 3.730 3.794 1.00 0.00 O ATOM 23 CB MET A 3 5.821 0.962 4.347 1.00 0.00 C ATOM 24 CG MET A 3 6.867 -0.141 4.349 1.00 0.00 C ATOM 25 SD MET A 3 6.283 -1.652 5.140 1.00 0.00 S ATOM 26 CE MET A 3 7.722 -2.108 6.104 1.00 0.00 C ATOM 0 HA MET A 3 5.200 2.711 3.265 1.00 0.00 H new ATOM 0 HB2 MET A 3 5.880 1.509 5.288 1.00 0.00 H new ATOM 0 HB3 MET A 3 4.830 0.511 4.302 1.00 0.00 H new ATOM 0 HG2 MET A 3 7.158 -0.362 3.322 1.00 0.00 H new ATOM 0 HG3 MET A 3 7.760 0.212 4.864 1.00 0.00 H new ATOM 0 HE1 MET A 3 7.516 -3.027 6.652 1.00 0.00 H new ATOM 0 HE2 MET A 3 8.571 -2.265 5.439 1.00 0.00 H new ATOM 0 HE3 MET A 3 7.956 -1.310 6.809 1.00 0.00 H new ATOM 36 N GLU A 4 8.353 1.967 2.717 1.00 0.00 N ATOM 37 CA GLU A 4 9.706 2.511 2.721 1.00 0.00 C ATOM 38 C GLU A 4 9.751 3.863 2.016 1.00 0.00 C ATOM 39 O GLU A 4 10.373 4.808 2.503 1.00 0.00 O ATOM 40 CB GLU A 4 10.673 1.537 2.044 1.00 0.00 C ATOM 41 CG GLU A 4 10.248 1.136 0.641 1.00 0.00 C ATOM 42 CD GLU A 4 10.917 -0.142 0.173 1.00 0.00 C ATOM 43 OE1 GLU A 4 10.394 -1.233 0.484 1.00 0.00 O ATOM 44 OE2 GLU A 4 11.962 -0.052 -0.504 1.00 0.00 O ATOM 0 H GLU A 4 8.266 1.054 2.270 1.00 0.00 H new ATOM 0 HA GLU A 4 10.011 2.652 3.758 1.00 0.00 H new ATOM 0 HB2 GLU A 4 11.662 1.992 1.999 1.00 0.00 H new ATOM 0 HB3 GLU A 4 10.762 0.641 2.658 1.00 0.00 H new ATOM 0 HG2 GLU A 4 9.166 1.006 0.616 1.00 0.00 H new ATOM 0 HG3 GLU A 4 10.488 1.942 -0.052 1.00 0.00 H new ATOM 51 N ARG A 5 9.089 3.947 0.867 1.00 0.00 N ATOM 52 CA ARG A 5 9.055 5.182 0.093 1.00 0.00 C ATOM 53 C ARG A 5 8.349 6.290 0.869 1.00 0.00 C ATOM 54 O ARG A 5 8.920 7.353 1.114 1.00 0.00 O ATOM 55 CB ARG A 5 8.350 4.952 -1.245 1.00 0.00 C ATOM 56 CG ARG A 5 8.569 6.071 -2.249 1.00 0.00 C ATOM 57 CD ARG A 5 10.002 6.091 -2.758 1.00 0.00 C ATOM 58 NE ARG A 5 10.295 4.945 -3.614 1.00 0.00 N ATOM 59 CZ ARG A 5 11.475 4.738 -4.186 1.00 0.00 C ATOM 60 NH1 ARG A 5 12.468 5.595 -3.994 1.00 0.00 N ATOM 61 NH2 ARG A 5 11.665 3.671 -4.952 1.00 0.00 N ATOM 0 H ARG A 5 8.569 3.174 0.451 1.00 0.00 H new ATOM 0 HA ARG A 5 10.083 5.492 -0.095 1.00 0.00 H new ATOM 0 HB2 ARG A 5 8.703 4.015 -1.676 1.00 0.00 H new ATOM 0 HB3 ARG A 5 7.281 4.839 -1.068 1.00 0.00 H new ATOM 0 HG2 ARG A 5 7.885 5.947 -3.089 1.00 0.00 H new ATOM 0 HG3 ARG A 5 8.333 7.029 -1.785 1.00 0.00 H new ATOM 0 HD2 ARG A 5 10.176 7.012 -3.314 1.00 0.00 H new ATOM 0 HD3 ARG A 5 10.688 6.095 -1.911 1.00 0.00 H new ATOM 0 HE ARG A 5 9.552 4.266 -3.782 1.00 0.00 H new ATOM 0 HH11 ARG A 5 12.326 6.416 -3.405 1.00 0.00 H new ATOM 0 HH12 ARG A 5 13.374 5.433 -4.435 1.00 0.00 H new ATOM 0 HH21 ARG A 5 10.904 3.009 -5.102 1.00 0.00 H new ATOM 0 HH22 ARG A 5 12.572 3.513 -5.391 1.00 0.00 H new ATOM 75 N LEU A 6 7.103 6.034 1.253 1.00 0.00 N ATOM 76 CA LEU A 6 6.317 7.010 2.000 1.00 0.00 C ATOM 77 C LEU A 6 7.041 7.431 3.275 1.00 0.00 C ATOM 78 O LEU A 6 6.993 8.595 3.673 1.00 0.00 O ATOM 79 CB LEU A 6 4.945 6.430 2.348 1.00 0.00 C ATOM 80 CG LEU A 6 4.043 7.312 3.213 1.00 0.00 C ATOM 81 CD1 LEU A 6 3.483 8.466 2.397 1.00 0.00 C ATOM 82 CD2 LEU A 6 2.916 6.489 3.820 1.00 0.00 C ATOM 0 H LEU A 6 6.616 5.159 1.059 1.00 0.00 H new ATOM 0 HA LEU A 6 6.184 7.891 1.371 1.00 0.00 H new ATOM 0 HB2 LEU A 6 4.420 6.209 1.419 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.094 5.481 2.864 1.00 0.00 H new ATOM 0 HG LEU A 6 4.642 7.725 4.024 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.844 9.082 3.029 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.304 9.071 2.011 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.899 8.073 1.564 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.284 7.133 4.432 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.319 6.046 3.023 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.337 5.698 4.440 1.00 0.00 H new ATOM 94 N ARG A 7 7.714 6.476 3.910 1.00 0.00 N ATOM 95 CA ARG A 7 8.450 6.748 5.139 1.00 0.00 C ATOM 96 C ARG A 7 9.598 7.720 4.882 1.00 0.00 C ATOM 97 O ARG A 7 9.725 8.740 5.560 1.00 0.00 O ATOM 98 CB ARG A 7 8.992 5.447 5.732 1.00 0.00 C ATOM 99 CG ARG A 7 9.664 5.627 7.084 1.00 0.00 C ATOM 100 CD ARG A 7 8.651 5.596 8.218 1.00 0.00 C ATOM 101 NE ARG A 7 9.060 6.437 9.340 1.00 0.00 N ATOM 102 CZ ARG A 7 8.302 6.656 10.408 1.00 0.00 C ATOM 103 NH1 ARG A 7 7.102 6.099 10.500 1.00 0.00 N ATOM 104 NH2 ARG A 7 8.743 7.434 11.388 1.00 0.00 N ATOM 0 H ARG A 7 7.765 5.508 3.594 1.00 0.00 H new ATOM 0 HA ARG A 7 7.763 7.205 5.851 1.00 0.00 H new ATOM 0 HB2 ARG A 7 8.173 4.736 5.835 1.00 0.00 H new ATOM 0 HB3 ARG A 7 9.708 5.010 5.035 1.00 0.00 H new ATOM 0 HG2 ARG A 7 10.402 4.839 7.232 1.00 0.00 H new ATOM 0 HG3 ARG A 7 10.202 6.575 7.101 1.00 0.00 H new ATOM 0 HD2 ARG A 7 7.682 5.931 7.848 1.00 0.00 H new ATOM 0 HD3 ARG A 7 8.523 4.570 8.562 1.00 0.00 H new ATOM 0 HE ARG A 7 9.978 6.880 9.301 1.00 0.00 H new ATOM 0 HH11 ARG A 7 6.759 5.500 9.749 1.00 0.00 H new ATOM 0 HH12 ARG A 7 6.522 6.269 11.322 1.00 0.00 H new ATOM 0 HH21 ARG A 7 9.665 7.865 11.322 1.00 0.00 H new ATOM 0 HH22 ARG A 7 8.160 7.601 12.208 1.00 0.00 H new ATOM 118 N ASP A 8 10.431 7.396 3.899 1.00 0.00 N ATOM 119 CA ASP A 8 11.568 8.240 3.551 1.00 0.00 C ATOM 120 C ASP A 8 11.101 9.610 3.070 1.00 0.00 C ATOM 121 O ASP A 8 11.628 10.641 3.489 1.00 0.00 O ATOM 122 CB ASP A 8 12.418 7.569 2.472 1.00 0.00 C ATOM 123 CG ASP A 8 12.986 6.239 2.926 1.00 0.00 C ATOM 124 OD1 ASP A 8 13.035 6.001 4.152 1.00 0.00 O ATOM 125 OD2 ASP A 8 13.380 5.434 2.057 1.00 0.00 O ATOM 0 H ASP A 8 10.340 6.555 3.329 1.00 0.00 H new ATOM 0 HA ASP A 8 12.174 8.377 4.446 1.00 0.00 H new ATOM 0 HB2 ASP A 8 11.812 7.416 1.579 1.00 0.00 H new ATOM 0 HB3 ASP A 8 13.236 8.233 2.192 1.00 0.00 H new ATOM 130 N VAL A 9 10.108 9.614 2.185 1.00 0.00 N ATOM 131 CA VAL A 9 9.570 10.857 1.646 1.00 0.00 C ATOM 132 C VAL A 9 8.950 11.711 2.747 1.00 0.00 C ATOM 133 O VAL A 9 9.375 12.842 2.982 1.00 0.00 O ATOM 134 CB VAL A 9 8.508 10.586 0.563 1.00 0.00 C ATOM 135 CG1 VAL A 9 7.941 11.893 0.032 1.00 0.00 C ATOM 136 CG2 VAL A 9 9.099 9.754 -0.565 1.00 0.00 C ATOM 0 H VAL A 9 9.661 8.770 1.827 1.00 0.00 H new ATOM 0 HA VAL A 9 10.405 11.396 1.199 1.00 0.00 H new ATOM 0 HB VAL A 9 7.692 10.020 1.012 1.00 0.00 H new ATOM 0 HG11 VAL A 9 7.193 11.681 -0.732 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.479 12.448 0.849 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.744 12.488 -0.402 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.336 9.572 -1.321 1.00 0.00 H new ATOM 0 HG22 VAL A 9 9.934 10.291 -1.014 1.00 0.00 H new ATOM 0 HG23 VAL A 9 9.452 8.802 -0.169 1.00 0.00 H new ATOM 146 N ARG A 10 7.944 11.161 3.419 1.00 0.00 N ATOM 147 CA ARG A 10 7.265 11.873 4.495 1.00 0.00 C ATOM 148 C ARG A 10 8.269 12.400 5.516 1.00 0.00 C ATOM 149 O ARG A 10 8.154 13.532 5.985 1.00 0.00 O ATOM 150 CB ARG A 10 6.254 10.955 5.184 1.00 0.00 C ATOM 151 CG ARG A 10 5.522 11.614 6.341 1.00 0.00 C ATOM 152 CD ARG A 10 4.374 10.750 6.839 1.00 0.00 C ATOM 153 NE ARG A 10 3.697 11.348 7.987 1.00 0.00 N ATOM 154 CZ ARG A 10 2.496 10.969 8.411 1.00 0.00 C ATOM 155 NH1 ARG A 10 1.844 9.999 7.786 1.00 0.00 N ATOM 156 NH2 ARG A 10 1.946 11.562 9.463 1.00 0.00 N ATOM 0 H ARG A 10 7.581 10.225 3.237 1.00 0.00 H new ATOM 0 HA ARG A 10 6.737 12.721 4.059 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.524 10.616 4.449 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.772 10.069 5.551 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.221 11.798 7.157 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.138 12.584 6.025 1.00 0.00 H new ATOM 0 HD2 ARG A 10 3.656 10.601 6.032 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.754 9.766 7.114 1.00 0.00 H new ATOM 0 HE ARG A 10 4.172 12.097 8.491 1.00 0.00 H new ATOM 0 HH11 ARG A 10 2.264 9.541 6.977 1.00 0.00 H new ATOM 0 HH12 ARG A 10 0.922 9.710 8.114 1.00 0.00 H new ATOM 0 HH21 ARG A 10 2.445 12.309 9.946 1.00 0.00 H new ATOM 0 HH22 ARG A 10 1.024 11.271 9.788 1.00 0.00 H new ATOM 170 N GLU A 11 9.251 11.571 5.856 1.00 0.00 N ATOM 171 CA GLU A 11 10.273 11.953 6.822 1.00 0.00 C ATOM 172 C GLU A 11 11.157 13.066 6.267 1.00 0.00 C ATOM 173 O GLU A 11 11.510 14.007 6.979 1.00 0.00 O ATOM 174 CB GLU A 11 11.131 10.743 7.196 1.00 0.00 C ATOM 175 CG GLU A 11 12.014 10.975 8.411 1.00 0.00 C ATOM 176 CD GLU A 11 13.448 11.299 8.037 1.00 0.00 C ATOM 177 OE1 GLU A 11 14.013 10.585 7.183 1.00 0.00 O ATOM 178 OE2 GLU A 11 14.003 12.267 8.598 1.00 0.00 O ATOM 0 H GLU A 11 9.360 10.631 5.476 1.00 0.00 H new ATOM 0 HA GLU A 11 9.771 12.323 7.716 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.479 9.891 7.389 1.00 0.00 H new ATOM 0 HB3 GLU A 11 11.759 10.477 6.346 1.00 0.00 H new ATOM 0 HG2 GLU A 11 11.603 11.793 9.003 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.999 10.086 9.042 1.00 0.00 H new ATOM 185 N ARG A 12 11.513 12.951 4.992 1.00 0.00 N ATOM 186 CA ARG A 12 12.357 13.945 4.341 1.00 0.00 C ATOM 187 C ARG A 12 11.689 15.317 4.352 1.00 0.00 C ATOM 188 O ARG A 12 12.323 16.325 4.666 1.00 0.00 O ATOM 189 CB ARG A 12 12.660 13.525 2.902 1.00 0.00 C ATOM 190 CG ARG A 12 13.864 12.606 2.775 1.00 0.00 C ATOM 191 CD ARG A 12 15.164 13.355 3.019 1.00 0.00 C ATOM 192 NE ARG A 12 16.284 12.447 3.249 1.00 0.00 N ATOM 193 CZ ARG A 12 16.522 11.854 4.414 1.00 0.00 C ATOM 194 NH1 ARG A 12 15.722 12.072 5.448 1.00 0.00 N ATOM 195 NH2 ARG A 12 17.562 11.040 4.545 1.00 0.00 N ATOM 0 H ARG A 12 11.230 12.179 4.389 1.00 0.00 H new ATOM 0 HA ARG A 12 13.292 14.011 4.897 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.786 13.023 2.487 1.00 0.00 H new ATOM 0 HB3 ARG A 12 12.830 14.418 2.300 1.00 0.00 H new ATOM 0 HG2 ARG A 12 13.775 11.787 3.489 1.00 0.00 H new ATOM 0 HG3 ARG A 12 13.880 12.161 1.780 1.00 0.00 H new ATOM 0 HD2 ARG A 12 15.383 13.990 2.161 1.00 0.00 H new ATOM 0 HD3 ARG A 12 15.047 14.012 3.881 1.00 0.00 H new ATOM 0 HE ARG A 12 16.918 12.258 2.473 1.00 0.00 H new ATOM 0 HH11 ARG A 12 14.921 12.696 5.351 1.00 0.00 H new ATOM 0 HH12 ARG A 12 15.907 11.615 6.341 1.00 0.00 H new ATOM 0 HH21 ARG A 12 18.179 10.869 3.751 1.00 0.00 H new ATOM 0 HH22 ARG A 12 17.744 10.585 5.440 1.00 0.00 H new ATOM 209 N LEU A 13 10.407 15.347 4.009 1.00 0.00 N ATOM 210 CA LEU A 13 9.652 16.595 3.979 1.00 0.00 C ATOM 211 C LEU A 13 9.517 17.184 5.380 1.00 0.00 C ATOM 212 O LEU A 13 9.823 18.355 5.603 1.00 0.00 O ATOM 213 CB LEU A 13 8.266 16.362 3.376 1.00 0.00 C ATOM 214 CG LEU A 13 7.832 17.346 2.289 1.00 0.00 C ATOM 215 CD1 LEU A 13 6.499 16.926 1.689 1.00 0.00 C ATOM 216 CD2 LEU A 13 7.744 18.757 2.853 1.00 0.00 C ATOM 0 H LEU A 13 9.868 14.522 3.748 1.00 0.00 H new ATOM 0 HA LEU A 13 10.197 17.305 3.357 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.238 15.355 2.959 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.532 16.394 4.181 1.00 0.00 H new ATOM 0 HG LEU A 13 8.581 17.338 1.498 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.207 17.638 0.917 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.595 15.933 1.249 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.739 16.905 2.470 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.434 19.445 2.066 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.015 18.780 3.663 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.720 19.058 3.234 1.00 0.00 H new ATOM 228 N GLN A 14 9.059 16.363 6.319 1.00 0.00 N ATOM 229 CA GLN A 14 8.885 16.802 7.698 1.00 0.00 C ATOM 230 C GLN A 14 10.158 17.457 8.225 1.00 0.00 C ATOM 231 O GLN A 14 10.161 18.636 8.578 1.00 0.00 O ATOM 232 CB GLN A 14 8.500 15.619 8.588 1.00 0.00 C ATOM 233 CG GLN A 14 7.144 15.021 8.252 1.00 0.00 C ATOM 234 CD GLN A 14 6.018 15.637 9.060 1.00 0.00 C ATOM 235 OE1 GLN A 14 5.212 16.406 8.536 1.00 0.00 O ATOM 236 NE2 GLN A 14 5.958 15.302 10.343 1.00 0.00 N ATOM 0 H GLN A 14 8.802 15.391 6.150 1.00 0.00 H new ATOM 0 HA GLN A 14 8.083 17.539 7.719 1.00 0.00 H new ATOM 0 HB2 GLN A 14 9.262 14.844 8.498 1.00 0.00 H new ATOM 0 HB3 GLN A 14 8.497 15.944 9.628 1.00 0.00 H new ATOM 0 HG2 GLN A 14 6.943 15.161 7.190 1.00 0.00 H new ATOM 0 HG3 GLN A 14 7.170 13.946 8.433 1.00 0.00 H new ATOM 0 HE21 GLN A 14 6.647 14.661 10.735 1.00 0.00 H new ATOM 0 HE22 GLN A 14 5.222 15.686 10.936 1.00 0.00 H new ATOM 245 N ALA A 15 11.238 16.684 8.276 1.00 0.00 N ATOM 246 CA ALA A 15 12.517 17.189 8.759 1.00 0.00 C ATOM 247 C ALA A 15 12.962 18.409 7.959 1.00 0.00 C ATOM 248 O ALA A 15 13.466 19.381 8.521 1.00 0.00 O ATOM 249 CB ALA A 15 13.575 16.097 8.692 1.00 0.00 C ATOM 0 H ALA A 15 11.252 15.705 7.989 1.00 0.00 H new ATOM 0 HA ALA A 15 12.391 17.494 9.798 1.00 0.00 H new ATOM 0 HB1 ALA A 15 14.525 16.488 9.056 1.00 0.00 H new ATOM 0 HB2 ALA A 15 13.268 15.255 9.312 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.690 15.765 7.660 1.00 0.00 H new ATOM 255 N TRP A 16 12.774 18.350 6.646 1.00 0.00 N ATOM 256 CA TRP A 16 13.158 19.450 5.768 1.00 0.00 C ATOM 257 C TRP A 16 12.567 20.768 6.258 1.00 0.00 C ATOM 258 O TRP A 16 13.270 21.597 6.834 1.00 0.00 O ATOM 259 CB TRP A 16 12.698 19.172 4.336 1.00 0.00 C ATOM 260 CG TRP A 16 12.800 20.367 3.437 1.00 0.00 C ATOM 261 CD1 TRP A 16 11.813 20.886 2.649 1.00 0.00 C ATOM 262 CD2 TRP A 16 13.954 21.190 3.233 1.00 0.00 C ATOM 263 NE1 TRP A 16 12.284 21.982 1.967 1.00 0.00 N ATOM 264 CE2 TRP A 16 13.594 22.190 2.308 1.00 0.00 C ATOM 265 CE3 TRP A 16 15.255 21.181 3.743 1.00 0.00 C ATOM 266 CZ2 TRP A 16 14.489 23.168 1.884 1.00 0.00 C ATOM 267 CZ3 TRP A 16 16.142 22.152 3.321 1.00 0.00 C ATOM 268 CH2 TRP A 16 15.756 23.135 2.400 1.00 0.00 C ATOM 0 H TRP A 16 12.358 17.552 6.165 1.00 0.00 H new ATOM 0 HA TRP A 16 14.245 19.532 5.783 1.00 0.00 H new ATOM 0 HB2 TRP A 16 13.297 18.362 3.921 1.00 0.00 H new ATOM 0 HB3 TRP A 16 11.664 18.827 4.355 1.00 0.00 H new ATOM 0 HD1 TRP A 16 10.810 20.493 2.573 1.00 0.00 H new ATOM 0 HE1 TRP A 16 11.745 22.549 1.313 1.00 0.00 H new ATOM 0 HE3 TRP A 16 15.561 20.428 4.454 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 14.194 23.926 1.173 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 17.150 22.154 3.708 1.00 0.00 H new ATOM 0 HH2 TRP A 16 16.473 23.882 2.091 1.00 0.00 H new ATOM 279 N GLU A 17 11.271 20.954 6.025 1.00 0.00 N ATOM 280 CA GLU A 17 10.588 22.172 6.443 1.00 0.00 C ATOM 281 C GLU A 17 10.830 22.452 7.923 1.00 0.00 C ATOM 282 O GLU A 17 10.903 23.606 8.344 1.00 0.00 O ATOM 283 CB GLU A 17 9.086 22.059 6.172 1.00 0.00 C ATOM 284 CG GLU A 17 8.388 21.025 7.039 1.00 0.00 C ATOM 285 CD GLU A 17 7.922 21.593 8.365 1.00 0.00 C ATOM 286 OE1 GLU A 17 8.101 22.809 8.586 1.00 0.00 O ATOM 287 OE2 GLU A 17 7.378 20.821 9.183 1.00 0.00 O ATOM 0 H GLU A 17 10.674 20.277 5.550 1.00 0.00 H new ATOM 0 HA GLU A 17 10.993 23.002 5.864 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.622 23.031 6.336 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.933 21.805 5.123 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.531 20.623 6.499 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.067 20.193 7.223 1.00 0.00 H new ATOM 294 N ARG A 18 10.953 21.386 8.708 1.00 0.00 N ATOM 295 CA ARG A 18 11.184 21.516 10.141 1.00 0.00 C ATOM 296 C ARG A 18 12.405 22.388 10.418 1.00 0.00 C ATOM 297 O ARG A 18 12.276 23.541 10.827 1.00 0.00 O ATOM 298 CB ARG A 18 11.376 20.136 10.775 1.00 0.00 C ATOM 299 CG ARG A 18 10.101 19.556 11.367 1.00 0.00 C ATOM 300 CD ARG A 18 9.596 20.394 12.531 1.00 0.00 C ATOM 301 NE ARG A 18 8.183 20.734 12.387 1.00 0.00 N ATOM 302 CZ ARG A 18 7.575 21.668 13.111 1.00 0.00 C ATOM 303 NH1 ARG A 18 8.252 22.350 14.024 1.00 0.00 N ATOM 304 NH2 ARG A 18 6.286 21.920 12.922 1.00 0.00 N ATOM 0 H ARG A 18 10.896 20.423 8.375 1.00 0.00 H new ATOM 0 HA ARG A 18 10.310 21.994 10.583 1.00 0.00 H new ATOM 0 HB2 ARG A 18 11.762 19.450 10.021 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.131 20.207 11.558 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.332 19.502 10.596 1.00 0.00 H new ATOM 0 HG3 ARG A 18 10.286 18.536 11.705 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.744 19.848 13.462 1.00 0.00 H new ATOM 0 HD3 ARG A 18 10.184 21.309 12.601 1.00 0.00 H new ATOM 0 HE ARG A 18 7.633 20.227 11.693 1.00 0.00 H new ATOM 0 HH11 ARG A 18 9.243 22.159 14.173 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.782 23.066 14.578 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.762 21.397 12.221 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.820 22.637 13.478 1.00 0.00 H new ATOM 318 N ALA A 19 13.589 21.829 10.192 1.00 0.00 N ATOM 319 CA ALA A 19 14.833 22.556 10.416 1.00 0.00 C ATOM 320 C ALA A 19 14.941 23.757 9.484 1.00 0.00 C ATOM 321 O ALA A 19 15.475 24.801 9.860 1.00 0.00 O ATOM 322 CB ALA A 19 16.026 21.630 10.229 1.00 0.00 C ATOM 0 H ALA A 19 13.713 20.875 9.854 1.00 0.00 H new ATOM 0 HA ALA A 19 14.831 22.925 11.442 1.00 0.00 H new ATOM 0 HB1 ALA A 19 16.948 22.186 10.399 1.00 0.00 H new ATOM 0 HB2 ALA A 19 15.962 20.806 10.940 1.00 0.00 H new ATOM 0 HB3 ALA A 19 16.023 21.234 9.214 1.00 0.00 H new ATOM 328 N PHE A 20 14.433 23.604 8.266 1.00 0.00 N ATOM 329 CA PHE A 20 14.474 24.677 7.279 1.00 0.00 C ATOM 330 C PHE A 20 13.939 25.979 7.869 1.00 0.00 C ATOM 331 O PHE A 20 14.681 26.946 8.037 1.00 0.00 O ATOM 332 CB PHE A 20 13.660 24.292 6.042 1.00 0.00 C ATOM 333 CG PHE A 20 13.365 25.451 5.134 1.00 0.00 C ATOM 334 CD1 PHE A 20 14.394 26.150 4.524 1.00 0.00 C ATOM 335 CD2 PHE A 20 12.058 25.842 4.890 1.00 0.00 C ATOM 336 CE1 PHE A 20 14.125 27.218 3.689 1.00 0.00 C ATOM 337 CE2 PHE A 20 11.783 26.909 4.055 1.00 0.00 C ATOM 338 CZ PHE A 20 12.818 27.597 3.453 1.00 0.00 C ATOM 0 H PHE A 20 13.988 22.747 7.938 1.00 0.00 H new ATOM 0 HA PHE A 20 15.513 24.830 6.988 1.00 0.00 H new ATOM 0 HB2 PHE A 20 14.203 23.531 5.482 1.00 0.00 H new ATOM 0 HB3 PHE A 20 12.720 23.842 6.361 1.00 0.00 H new ATOM 0 HD1 PHE A 20 15.418 25.857 4.703 1.00 0.00 H new ATOM 0 HD2 PHE A 20 11.245 25.307 5.358 1.00 0.00 H new ATOM 0 HE1 PHE A 20 14.936 27.756 3.221 1.00 0.00 H new ATOM 0 HE2 PHE A 20 10.760 27.204 3.874 1.00 0.00 H new ATOM 0 HZ PHE A 20 12.606 28.430 2.799 1.00 0.00 H new ATOM 348 N ARG A 21 12.647 25.994 8.179 1.00 0.00 N ATOM 349 CA ARG A 21 12.012 27.177 8.748 1.00 0.00 C ATOM 350 C ARG A 21 12.595 27.499 10.121 1.00 0.00 C ATOM 351 O ARG A 21 12.382 28.587 10.656 1.00 0.00 O ATOM 352 CB ARG A 21 10.501 26.966 8.860 1.00 0.00 C ATOM 353 CG ARG A 21 9.779 28.101 9.568 1.00 0.00 C ATOM 354 CD ARG A 21 8.454 28.424 8.894 1.00 0.00 C ATOM 355 NE ARG A 21 7.663 29.375 9.671 1.00 0.00 N ATOM 356 CZ ARG A 21 6.623 30.039 9.180 1.00 0.00 C ATOM 357 NH1 ARG A 21 6.250 29.856 7.921 1.00 0.00 N ATOM 358 NH2 ARG A 21 5.952 30.887 9.949 1.00 0.00 N ATOM 0 H ARG A 21 12.020 25.201 8.046 1.00 0.00 H new ATOM 0 HA ARG A 21 12.206 28.019 8.083 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.084 26.849 7.860 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.311 26.036 9.395 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.602 27.829 10.609 1.00 0.00 H new ATOM 0 HG3 ARG A 21 10.412 28.989 9.574 1.00 0.00 H new ATOM 0 HD2 ARG A 21 8.642 28.834 7.902 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.884 27.505 8.756 1.00 0.00 H new ATOM 0 HE ARG A 21 7.924 29.538 10.644 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.762 29.204 7.327 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.451 30.367 7.546 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.235 31.030 10.919 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.153 31.396 9.571 1.00 0.00 H new ATOM 372 N ARG A 22 13.330 26.547 10.685 1.00 0.00 N ATOM 373 CA ARG A 22 13.941 26.729 11.996 1.00 0.00 C ATOM 374 C ARG A 22 15.157 27.646 11.906 1.00 0.00 C ATOM 375 O ARG A 22 15.362 28.506 12.762 1.00 0.00 O ATOM 376 CB ARG A 22 14.351 25.377 12.583 1.00 0.00 C ATOM 377 CG ARG A 22 13.879 25.166 14.012 1.00 0.00 C ATOM 378 CD ARG A 22 12.365 25.047 14.087 1.00 0.00 C ATOM 379 NE ARG A 22 11.791 25.971 15.062 1.00 0.00 N ATOM 380 CZ ARG A 22 10.489 26.209 15.171 1.00 0.00 C ATOM 381 NH1 ARG A 22 9.630 25.593 14.370 1.00 0.00 N ATOM 382 NH2 ARG A 22 10.043 27.063 16.083 1.00 0.00 N ATOM 0 H ARG A 22 13.517 25.641 10.255 1.00 0.00 H new ATOM 0 HA ARG A 22 13.204 27.194 12.651 1.00 0.00 H new ATOM 0 HB2 ARG A 22 13.950 24.581 11.955 1.00 0.00 H new ATOM 0 HB3 ARG A 22 15.437 25.291 12.551 1.00 0.00 H new ATOM 0 HG2 ARG A 22 14.336 24.264 14.418 1.00 0.00 H new ATOM 0 HG3 ARG A 22 14.211 25.998 14.633 1.00 0.00 H new ATOM 0 HD2 ARG A 22 11.937 25.245 13.104 1.00 0.00 H new ATOM 0 HD3 ARG A 22 12.094 24.025 14.353 1.00 0.00 H new ATOM 0 HE ARG A 22 12.425 26.460 15.694 1.00 0.00 H new ATOM 0 HH11 ARG A 22 9.969 24.935 13.668 1.00 0.00 H new ATOM 0 HH12 ARG A 22 8.630 25.777 14.456 1.00 0.00 H new ATOM 0 HH21 ARG A 22 10.700 27.538 16.702 1.00 0.00 H new ATOM 0 HH22 ARG A 22 9.043 27.245 16.165 1.00 0.00 H new ATOM 396 N GLN A 23 15.959 27.457 10.863 1.00 0.00 N ATOM 397 CA GLN A 23 17.155 28.266 10.662 1.00 0.00 C ATOM 398 C GLN A 23 16.876 29.422 9.706 1.00 0.00 C ATOM 399 O GLN A 23 17.293 30.554 9.948 1.00 0.00 O ATOM 400 CB GLN A 23 18.296 27.404 10.120 1.00 0.00 C ATOM 401 CG GLN A 23 17.969 26.722 8.801 1.00 0.00 C ATOM 402 CD GLN A 23 19.037 25.735 8.373 1.00 0.00 C ATOM 403 OE1 GLN A 23 20.200 26.100 8.194 1.00 0.00 O ATOM 404 NE2 GLN A 23 18.649 24.476 8.208 1.00 0.00 N ATOM 0 H GLN A 23 15.802 26.751 10.144 1.00 0.00 H new ATOM 0 HA GLN A 23 17.449 28.679 11.627 1.00 0.00 H new ATOM 0 HB2 GLN A 23 19.180 28.028 9.988 1.00 0.00 H new ATOM 0 HB3 GLN A 23 18.549 26.644 10.859 1.00 0.00 H new ATOM 0 HG2 GLN A 23 17.015 26.202 8.892 1.00 0.00 H new ATOM 0 HG3 GLN A 23 17.847 27.478 8.026 1.00 0.00 H new ATOM 0 HE21 GLN A 23 17.675 24.217 8.367 1.00 0.00 H new ATOM 0 HE22 GLN A 23 19.325 23.767 7.922 1.00 0.00 H new ATOM 413 N ARG A 24 16.170 29.127 8.620 1.00 0.00 N ATOM 414 CA ARG A 24 15.837 30.141 7.627 1.00 0.00 C ATOM 415 C ARG A 24 14.702 31.033 8.120 1.00 0.00 C ATOM 416 O ARG A 24 14.857 32.249 8.229 1.00 0.00 O ATOM 417 CB ARG A 24 15.442 29.480 6.305 1.00 0.00 C ATOM 418 CG ARG A 24 16.630 29.019 5.476 1.00 0.00 C ATOM 419 CD ARG A 24 17.470 30.195 5.005 1.00 0.00 C ATOM 420 NE ARG A 24 18.606 30.445 5.888 1.00 0.00 N ATOM 421 CZ ARG A 24 19.658 31.179 5.543 1.00 0.00 C ATOM 422 NH1 ARG A 24 19.718 31.733 4.340 1.00 0.00 N ATOM 423 NH2 ARG A 24 20.652 31.362 6.403 1.00 0.00 N ATOM 0 H ARG A 24 15.817 28.194 8.405 1.00 0.00 H new ATOM 0 HA ARG A 24 16.720 30.760 7.467 1.00 0.00 H new ATOM 0 HB2 ARG A 24 14.801 28.623 6.514 1.00 0.00 H new ATOM 0 HB3 ARG A 24 14.852 30.184 5.719 1.00 0.00 H new ATOM 0 HG2 ARG A 24 17.248 28.343 6.068 1.00 0.00 H new ATOM 0 HG3 ARG A 24 16.276 28.455 4.613 1.00 0.00 H new ATOM 0 HD2 ARG A 24 17.832 30.001 3.995 1.00 0.00 H new ATOM 0 HD3 ARG A 24 16.847 31.088 4.954 1.00 0.00 H new ATOM 0 HE ARG A 24 18.591 30.033 6.821 1.00 0.00 H new ATOM 0 HH11 ARG A 24 18.955 31.596 3.677 1.00 0.00 H new ATOM 0 HH12 ARG A 24 20.527 32.296 4.078 1.00 0.00 H new ATOM 0 HH21 ARG A 24 20.609 30.939 7.330 1.00 0.00 H new ATOM 0 HH22 ARG A 24 21.459 31.926 6.137 1.00 0.00 H new ATOM 437 N GLY A 25 13.560 30.420 8.418 1.00 0.00 N ATOM 438 CA GLY A 25 12.416 31.174 8.896 1.00 0.00 C ATOM 439 C GLY A 25 11.758 31.987 7.798 1.00 0.00 C ATOM 440 O GLY A 25 11.234 33.073 8.050 1.00 0.00 O ATOM 0 H GLY A 25 13.407 29.415 8.337 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.685 30.488 9.323 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.733 31.841 9.697 1.00 0.00 H new ATOM 444 N ARG A 26 11.786 31.462 6.578 1.00 0.00 N ATOM 445 CA ARG A 26 11.191 32.148 5.437 1.00 0.00 C ATOM 446 C ARG A 26 11.432 31.369 4.148 1.00 0.00 C ATOM 447 O ARG A 26 11.847 30.211 4.179 1.00 0.00 O ATOM 448 CB ARG A 26 11.765 33.560 5.308 1.00 0.00 C ATOM 449 CG ARG A 26 10.703 34.643 5.210 1.00 0.00 C ATOM 450 CD ARG A 26 10.985 35.788 6.170 1.00 0.00 C ATOM 451 NE ARG A 26 10.769 37.091 5.547 1.00 0.00 N ATOM 452 CZ ARG A 26 10.813 38.240 6.212 1.00 0.00 C ATOM 453 NH1 ARG A 26 11.063 38.248 7.513 1.00 0.00 N ATOM 454 NH2 ARG A 26 10.606 39.386 5.574 1.00 0.00 N ATOM 0 H ARG A 26 12.214 30.564 6.354 1.00 0.00 H new ATOM 0 HA ARG A 26 10.116 32.214 5.605 1.00 0.00 H new ATOM 0 HB2 ARG A 26 12.402 33.764 6.169 1.00 0.00 H new ATOM 0 HB3 ARG A 26 12.401 33.605 4.424 1.00 0.00 H new ATOM 0 HG2 ARG A 26 10.663 35.024 4.189 1.00 0.00 H new ATOM 0 HG3 ARG A 26 9.725 34.216 5.429 1.00 0.00 H new ATOM 0 HD2 ARG A 26 10.342 35.694 7.045 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.014 35.721 6.522 1.00 0.00 H new ATOM 0 HE ARG A 26 10.574 37.120 4.546 1.00 0.00 H new ATOM 0 HH11 ARG A 26 11.222 37.370 8.007 1.00 0.00 H new ATOM 0 HH12 ARG A 26 11.096 39.132 8.021 1.00 0.00 H new ATOM 0 HH21 ARG A 26 10.413 39.384 4.572 1.00 0.00 H new ATOM 0 HH22 ARG A 26 10.640 40.268 6.086 1.00 0.00 H new ATOM 468 N ARG A 27 11.169 32.013 3.015 1.00 0.00 N ATOM 469 CA ARG A 27 11.355 31.381 1.715 1.00 0.00 C ATOM 470 C ARG A 27 12.738 30.744 1.614 1.00 0.00 C ATOM 471 O ARG A 27 13.686 31.150 2.287 1.00 0.00 O ATOM 472 CB ARG A 27 11.171 32.405 0.594 1.00 0.00 C ATOM 473 CG ARG A 27 9.927 32.170 -0.247 1.00 0.00 C ATOM 474 CD ARG A 27 10.227 32.294 -1.732 1.00 0.00 C ATOM 475 NE ARG A 27 10.566 33.663 -2.110 1.00 0.00 N ATOM 476 CZ ARG A 27 10.966 34.012 -3.327 1.00 0.00 C ATOM 477 NH1 ARG A 27 11.078 33.097 -4.280 1.00 0.00 N ATOM 478 NH2 ARG A 27 11.256 35.280 -3.594 1.00 0.00 N ATOM 0 H ARG A 27 10.826 32.973 2.972 1.00 0.00 H new ATOM 0 HA ARG A 27 10.604 30.598 1.609 1.00 0.00 H new ATOM 0 HB2 ARG A 27 11.122 33.403 1.029 1.00 0.00 H new ATOM 0 HB3 ARG A 27 12.047 32.383 -0.054 1.00 0.00 H new ATOM 0 HG2 ARG A 27 9.527 31.178 -0.037 1.00 0.00 H new ATOM 0 HG3 ARG A 27 9.157 32.890 0.031 1.00 0.00 H new ATOM 0 HD2 ARG A 27 11.053 31.631 -1.991 1.00 0.00 H new ATOM 0 HD3 ARG A 27 9.361 31.964 -2.305 1.00 0.00 H new ATOM 0 HE ARG A 27 10.491 34.391 -1.400 1.00 0.00 H new ATOM 0 HH11 ARG A 27 10.857 32.122 -4.079 1.00 0.00 H new ATOM 0 HH12 ARG A 27 11.386 33.368 -5.214 1.00 0.00 H new ATOM 0 HH21 ARG A 27 11.172 35.987 -2.864 1.00 0.00 H new ATOM 0 HH22 ARG A 27 11.563 35.547 -4.529 1.00 0.00 H new ATOM 492 N PRO A 28 12.858 29.722 0.754 1.00 0.00 N ATOM 493 CA PRO A 28 14.121 29.007 0.544 1.00 0.00 C ATOM 494 C PRO A 28 15.158 29.862 -0.175 1.00 0.00 C ATOM 495 O PRO A 28 14.966 31.064 -0.359 1.00 0.00 O ATOM 496 CB PRO A 28 13.714 27.815 -0.325 1.00 0.00 C ATOM 497 CG PRO A 28 12.483 28.266 -1.034 1.00 0.00 C ATOM 498 CD PRO A 28 11.770 29.185 -0.081 1.00 0.00 C ATOM 0 HA PRO A 28 14.591 28.724 1.486 1.00 0.00 H new ATOM 0 HB2 PRO A 28 14.503 27.551 -1.030 1.00 0.00 H new ATOM 0 HB3 PRO A 28 13.520 26.931 0.282 1.00 0.00 H new ATOM 0 HG2 PRO A 28 12.733 28.783 -1.961 1.00 0.00 H new ATOM 0 HG3 PRO A 28 11.854 27.417 -1.302 1.00 0.00 H new ATOM 0 HD2 PRO A 28 11.240 29.978 -0.608 1.00 0.00 H new ATOM 0 HD3 PRO A 28 11.032 28.650 0.516 1.00 0.00 H new ATOM 506 N SER A 29 16.257 29.234 -0.581 1.00 0.00 N ATOM 507 CA SER A 29 17.327 29.939 -1.278 1.00 0.00 C ATOM 508 C SER A 29 18.110 28.986 -2.176 1.00 0.00 C ATOM 509 O SER A 29 18.144 27.779 -1.937 1.00 0.00 O ATOM 510 CB SER A 29 18.271 30.601 -0.272 1.00 0.00 C ATOM 511 OG SER A 29 17.575 31.524 0.549 1.00 0.00 O ATOM 0 H SER A 29 16.430 28.239 -0.439 1.00 0.00 H new ATOM 0 HA SER A 29 16.874 30.710 -1.902 1.00 0.00 H new ATOM 0 HB2 SER A 29 18.739 29.837 0.349 1.00 0.00 H new ATOM 0 HB3 SER A 29 19.072 31.114 -0.804 1.00 0.00 H new ATOM 0 HG SER A 29 18.200 31.932 1.184 1.00 0.00 H new ATOM 517 N GLN A 30 18.737 29.539 -3.210 1.00 0.00 N ATOM 518 CA GLN A 30 19.519 28.738 -4.144 1.00 0.00 C ATOM 519 C GLN A 30 20.609 27.960 -3.415 1.00 0.00 C ATOM 520 O GLN A 30 21.115 26.958 -3.922 1.00 0.00 O ATOM 521 CB GLN A 30 20.145 29.633 -5.215 1.00 0.00 C ATOM 522 CG GLN A 30 21.172 30.610 -4.667 1.00 0.00 C ATOM 523 CD GLN A 30 20.762 32.057 -4.859 1.00 0.00 C ATOM 524 OE1 GLN A 30 20.332 32.723 -3.916 1.00 0.00 O ATOM 525 NE2 GLN A 30 20.893 32.553 -6.084 1.00 0.00 N ATOM 0 H GLN A 30 18.719 30.537 -3.421 1.00 0.00 H new ATOM 0 HA GLN A 30 18.848 28.025 -4.622 1.00 0.00 H new ATOM 0 HB2 GLN A 30 20.619 29.005 -5.969 1.00 0.00 H new ATOM 0 HB3 GLN A 30 19.355 30.192 -5.716 1.00 0.00 H new ATOM 0 HG2 GLN A 30 21.321 30.417 -3.605 1.00 0.00 H new ATOM 0 HG3 GLN A 30 22.129 30.439 -5.160 1.00 0.00 H new ATOM 0 HE21 GLN A 30 21.254 31.966 -6.836 1.00 0.00 H new ATOM 0 HE22 GLN A 30 20.633 33.521 -6.273 1.00 0.00 H new ATOM 534 N ASP A 31 20.966 28.426 -2.224 1.00 0.00 N ATOM 535 CA ASP A 31 21.996 27.773 -1.424 1.00 0.00 C ATOM 536 C ASP A 31 21.487 26.451 -0.857 1.00 0.00 C ATOM 537 O ASP A 31 22.163 25.426 -0.944 1.00 0.00 O ATOM 538 CB ASP A 31 22.446 28.691 -0.285 1.00 0.00 C ATOM 539 CG ASP A 31 23.809 29.303 -0.540 1.00 0.00 C ATOM 540 OD1 ASP A 31 24.667 28.617 -1.133 1.00 0.00 O ATOM 541 OD2 ASP A 31 24.017 30.470 -0.147 1.00 0.00 O ATOM 0 H ASP A 31 20.557 29.254 -1.791 1.00 0.00 H new ATOM 0 HA ASP A 31 22.848 27.566 -2.072 1.00 0.00 H new ATOM 0 HB2 ASP A 31 21.713 29.486 -0.152 1.00 0.00 H new ATOM 0 HB3 ASP A 31 22.474 28.124 0.646 1.00 0.00 H new ATOM 546 N ASP A 32 20.292 26.483 -0.277 1.00 0.00 N ATOM 547 CA ASP A 32 19.693 25.287 0.304 1.00 0.00 C ATOM 548 C ASP A 32 19.037 24.430 -0.774 1.00 0.00 C ATOM 549 O ASP A 32 18.973 23.206 -0.655 1.00 0.00 O ATOM 550 CB ASP A 32 18.661 25.673 1.365 1.00 0.00 C ATOM 551 CG ASP A 32 18.932 25.013 2.703 1.00 0.00 C ATOM 552 OD1 ASP A 32 19.054 23.771 2.738 1.00 0.00 O ATOM 553 OD2 ASP A 32 19.023 25.739 3.714 1.00 0.00 O ATOM 0 H ASP A 32 19.720 27.323 -0.197 1.00 0.00 H new ATOM 0 HA ASP A 32 20.485 24.704 0.774 1.00 0.00 H new ATOM 0 HB2 ASP A 32 18.661 26.756 1.491 1.00 0.00 H new ATOM 0 HB3 ASP A 32 17.666 25.392 1.019 1.00 0.00 H new ATOM 558 N VAL A 33 18.549 25.081 -1.825 1.00 0.00 N ATOM 559 CA VAL A 33 17.897 24.378 -2.924 1.00 0.00 C ATOM 560 C VAL A 33 18.911 23.606 -3.761 1.00 0.00 C ATOM 561 O VAL A 33 18.707 22.434 -4.076 1.00 0.00 O ATOM 562 CB VAL A 33 17.131 25.353 -3.837 1.00 0.00 C ATOM 563 CG1 VAL A 33 16.516 24.611 -5.014 1.00 0.00 C ATOM 564 CG2 VAL A 33 16.063 26.094 -3.047 1.00 0.00 C ATOM 0 H VAL A 33 18.593 26.094 -1.939 1.00 0.00 H new ATOM 0 HA VAL A 33 17.191 23.678 -2.478 1.00 0.00 H new ATOM 0 HB VAL A 33 17.836 26.086 -4.229 1.00 0.00 H new ATOM 0 HG11 VAL A 33 15.979 25.316 -5.648 1.00 0.00 H new ATOM 0 HG12 VAL A 33 17.304 24.130 -5.593 1.00 0.00 H new ATOM 0 HG13 VAL A 33 15.824 23.854 -4.645 1.00 0.00 H new ATOM 0 HG21 VAL A 33 15.531 26.779 -3.708 1.00 0.00 H new ATOM 0 HG22 VAL A 33 15.359 25.377 -2.625 1.00 0.00 H new ATOM 0 HG23 VAL A 33 16.532 26.658 -2.241 1.00 0.00 H new ATOM 574 N GLU A 34 20.005 24.272 -4.118 1.00 0.00 N ATOM 575 CA GLU A 34 21.051 23.648 -4.919 1.00 0.00 C ATOM 576 C GLU A 34 21.887 22.692 -4.073 1.00 0.00 C ATOM 577 O GLU A 34 22.707 21.938 -4.596 1.00 0.00 O ATOM 578 CB GLU A 34 21.953 24.716 -5.543 1.00 0.00 C ATOM 579 CG GLU A 34 22.625 24.269 -6.830 1.00 0.00 C ATOM 580 CD GLU A 34 23.800 25.148 -7.210 1.00 0.00 C ATOM 581 OE1 GLU A 34 24.826 25.106 -6.499 1.00 0.00 O ATOM 582 OE2 GLU A 34 23.695 25.878 -8.218 1.00 0.00 O ATOM 0 H GLU A 34 20.189 25.243 -3.865 1.00 0.00 H new ATOM 0 HA GLU A 34 20.572 23.078 -5.715 1.00 0.00 H new ATOM 0 HB2 GLU A 34 21.360 25.608 -5.744 1.00 0.00 H new ATOM 0 HB3 GLU A 34 22.720 24.998 -4.822 1.00 0.00 H new ATOM 0 HG2 GLU A 34 22.967 23.240 -6.719 1.00 0.00 H new ATOM 0 HG3 GLU A 34 21.894 24.276 -7.639 1.00 0.00 H new ATOM 589 N ALA A 35 21.673 22.730 -2.762 1.00 0.00 N ATOM 590 CA ALA A 35 22.404 21.866 -1.843 1.00 0.00 C ATOM 591 C ALA A 35 21.902 20.429 -1.923 1.00 0.00 C ATOM 592 O ALA A 35 22.683 19.483 -1.831 1.00 0.00 O ATOM 593 CB ALA A 35 22.286 22.391 -0.420 1.00 0.00 C ATOM 0 H ALA A 35 20.999 23.350 -2.312 1.00 0.00 H new ATOM 0 HA ALA A 35 23.454 21.872 -2.135 1.00 0.00 H new ATOM 0 HB1 ALA A 35 22.836 21.737 0.256 1.00 0.00 H new ATOM 0 HB2 ALA A 35 22.701 23.398 -0.368 1.00 0.00 H new ATOM 0 HB3 ALA A 35 21.236 22.415 -0.127 1.00 0.00 H new ATOM 599 N ALA A 36 20.593 20.273 -2.094 1.00 0.00 N ATOM 600 CA ALA A 36 19.987 18.951 -2.187 1.00 0.00 C ATOM 601 C ALA A 36 20.042 18.421 -3.616 1.00 0.00 C ATOM 602 O ALA A 36 20.223 19.171 -4.575 1.00 0.00 O ATOM 603 CB ALA A 36 18.549 18.993 -1.693 1.00 0.00 C ATOM 0 H ALA A 36 19.932 21.046 -2.171 1.00 0.00 H new ATOM 0 HA ALA A 36 20.557 18.272 -1.553 1.00 0.00 H new ATOM 0 HB1 ALA A 36 18.109 17.999 -1.768 1.00 0.00 H new ATOM 0 HB2 ALA A 36 18.531 19.320 -0.653 1.00 0.00 H new ATOM 0 HB3 ALA A 36 17.975 19.691 -2.303 1.00 0.00 H new ATOM 609 N PRO A 37 19.883 17.097 -3.764 1.00 0.00 N ATOM 610 CA PRO A 37 19.911 16.438 -5.073 1.00 0.00 C ATOM 611 C PRO A 37 18.689 16.779 -5.920 1.00 0.00 C ATOM 612 O PRO A 37 17.887 17.636 -5.551 1.00 0.00 O ATOM 613 CB PRO A 37 19.919 14.949 -4.720 1.00 0.00 C ATOM 614 CG PRO A 37 19.280 14.875 -3.376 1.00 0.00 C ATOM 615 CD PRO A 37 19.663 16.143 -2.665 1.00 0.00 C ATOM 0 HA PRO A 37 20.767 16.753 -5.670 1.00 0.00 H new ATOM 0 HB2 PRO A 37 19.365 14.365 -5.455 1.00 0.00 H new ATOM 0 HB3 PRO A 37 20.934 14.553 -4.698 1.00 0.00 H new ATOM 0 HG2 PRO A 37 18.197 14.788 -3.463 1.00 0.00 H new ATOM 0 HG3 PRO A 37 19.627 14.000 -2.827 1.00 0.00 H new ATOM 0 HD2 PRO A 37 18.875 16.480 -1.992 1.00 0.00 H new ATOM 0 HD3 PRO A 37 20.561 16.010 -2.062 1.00 0.00 H new ATOM 623 N GLU A 38 18.554 16.101 -7.056 1.00 0.00 N ATOM 624 CA GLU A 38 17.430 16.333 -7.954 1.00 0.00 C ATOM 625 C GLU A 38 16.114 15.928 -7.295 1.00 0.00 C ATOM 626 O GLU A 38 15.245 16.766 -7.057 1.00 0.00 O ATOM 627 CB GLU A 38 17.620 15.555 -9.258 1.00 0.00 C ATOM 628 CG GLU A 38 16.997 16.232 -10.467 1.00 0.00 C ATOM 629 CD GLU A 38 17.963 16.356 -11.629 1.00 0.00 C ATOM 630 OE1 GLU A 38 18.854 15.490 -11.754 1.00 0.00 O ATOM 631 OE2 GLU A 38 17.829 17.320 -12.412 1.00 0.00 O ATOM 0 H GLU A 38 19.209 15.387 -7.375 1.00 0.00 H new ATOM 0 HA GLU A 38 17.392 17.399 -8.178 1.00 0.00 H new ATOM 0 HB2 GLU A 38 18.686 15.419 -9.438 1.00 0.00 H new ATOM 0 HB3 GLU A 38 17.186 14.561 -9.145 1.00 0.00 H new ATOM 0 HG2 GLU A 38 16.122 15.665 -10.786 1.00 0.00 H new ATOM 0 HG3 GLU A 38 16.647 17.224 -10.183 1.00 0.00 H new ATOM 638 N GLU A 39 15.977 14.638 -7.005 1.00 0.00 N ATOM 639 CA GLU A 39 14.768 14.122 -6.375 1.00 0.00 C ATOM 640 C GLU A 39 14.357 14.993 -5.190 1.00 0.00 C ATOM 641 O GLU A 39 13.196 15.383 -5.064 1.00 0.00 O ATOM 642 CB GLU A 39 14.983 12.680 -5.911 1.00 0.00 C ATOM 643 CG GLU A 39 16.222 12.496 -5.050 1.00 0.00 C ATOM 644 CD GLU A 39 15.904 12.478 -3.567 1.00 0.00 C ATOM 645 OE1 GLU A 39 14.770 12.850 -3.198 1.00 0.00 O ATOM 646 OE2 GLU A 39 16.790 12.093 -2.776 1.00 0.00 O ATOM 0 H GLU A 39 16.688 13.932 -7.196 1.00 0.00 H new ATOM 0 HA GLU A 39 13.967 14.143 -7.114 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.108 12.354 -5.348 1.00 0.00 H new ATOM 0 HB3 GLU A 39 15.059 12.033 -6.785 1.00 0.00 H new ATOM 0 HG2 GLU A 39 16.715 11.563 -5.324 1.00 0.00 H new ATOM 0 HG3 GLU A 39 16.927 13.301 -5.257 1.00 0.00 H new ATOM 653 N THR A 40 15.319 15.294 -4.323 1.00 0.00 N ATOM 654 CA THR A 40 15.058 16.116 -3.149 1.00 0.00 C ATOM 655 C THR A 40 14.611 17.518 -3.547 1.00 0.00 C ATOM 656 O THR A 40 13.655 18.057 -2.988 1.00 0.00 O ATOM 657 CB THR A 40 16.305 16.224 -2.250 1.00 0.00 C ATOM 658 OG1 THR A 40 16.692 14.924 -1.792 1.00 0.00 O ATOM 659 CG2 THR A 40 16.036 17.129 -1.057 1.00 0.00 C ATOM 0 H THR A 40 16.286 14.981 -4.412 1.00 0.00 H new ATOM 0 HA THR A 40 14.259 15.627 -2.593 1.00 0.00 H new ATOM 0 HB THR A 40 17.114 16.657 -2.838 1.00 0.00 H new ATOM 0 HG1 THR A 40 17.486 15.001 -1.223 1.00 0.00 H new ATOM 0 HG21 THR A 40 16.931 17.190 -0.437 1.00 0.00 H new ATOM 0 HG22 THR A 40 15.770 18.126 -1.409 1.00 0.00 H new ATOM 0 HG23 THR A 40 15.214 16.721 -0.469 1.00 0.00 H new ATOM 667 N ARG A 41 15.306 18.103 -4.516 1.00 0.00 N ATOM 668 CA ARG A 41 14.980 19.443 -4.989 1.00 0.00 C ATOM 669 C ARG A 41 13.529 19.518 -5.453 1.00 0.00 C ATOM 670 O ARG A 41 12.849 20.521 -5.240 1.00 0.00 O ATOM 671 CB ARG A 41 15.914 19.845 -6.132 1.00 0.00 C ATOM 672 CG ARG A 41 17.151 20.599 -5.672 1.00 0.00 C ATOM 673 CD ARG A 41 18.231 20.603 -6.742 1.00 0.00 C ATOM 674 NE ARG A 41 18.451 21.938 -7.293 1.00 0.00 N ATOM 675 CZ ARG A 41 17.688 22.478 -8.237 1.00 0.00 C ATOM 676 NH1 ARG A 41 16.661 21.802 -8.731 1.00 0.00 N ATOM 677 NH2 ARG A 41 17.952 23.698 -8.687 1.00 0.00 N ATOM 0 H ARG A 41 16.099 17.670 -4.989 1.00 0.00 H new ATOM 0 HA ARG A 41 15.114 20.136 -4.159 1.00 0.00 H new ATOM 0 HB2 ARG A 41 16.224 18.948 -6.669 1.00 0.00 H new ATOM 0 HB3 ARG A 41 15.363 20.465 -6.839 1.00 0.00 H new ATOM 0 HG2 ARG A 41 16.881 21.625 -5.422 1.00 0.00 H new ATOM 0 HG3 ARG A 41 17.540 20.141 -4.762 1.00 0.00 H new ATOM 0 HD2 ARG A 41 19.163 20.228 -6.318 1.00 0.00 H new ATOM 0 HD3 ARG A 41 17.949 19.922 -7.545 1.00 0.00 H new ATOM 0 HE ARG A 41 19.233 22.485 -6.933 1.00 0.00 H new ATOM 0 HH11 ARG A 41 16.454 20.864 -8.387 1.00 0.00 H new ATOM 0 HH12 ARG A 41 16.077 22.219 -9.456 1.00 0.00 H new ATOM 0 HH21 ARG A 41 18.741 24.222 -8.308 1.00 0.00 H new ATOM 0 HH22 ARG A 41 17.366 24.112 -9.412 1.00 0.00 H new ATOM 691 N ALA A 42 13.061 18.449 -6.089 1.00 0.00 N ATOM 692 CA ALA A 42 11.690 18.392 -6.582 1.00 0.00 C ATOM 693 C ALA A 42 10.694 18.332 -5.429 1.00 0.00 C ATOM 694 O ALA A 42 9.739 19.108 -5.380 1.00 0.00 O ATOM 695 CB ALA A 42 11.509 17.194 -7.502 1.00 0.00 C ATOM 0 H ALA A 42 13.611 17.610 -6.275 1.00 0.00 H new ATOM 0 HA ALA A 42 11.496 19.303 -7.148 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.481 17.164 -7.862 1.00 0.00 H new ATOM 0 HB2 ALA A 42 12.188 17.280 -8.350 1.00 0.00 H new ATOM 0 HB3 ALA A 42 11.728 16.278 -6.954 1.00 0.00 H new ATOM 701 N LEU A 43 10.922 17.406 -4.505 1.00 0.00 N ATOM 702 CA LEU A 43 10.044 17.244 -3.351 1.00 0.00 C ATOM 703 C LEU A 43 10.029 18.507 -2.496 1.00 0.00 C ATOM 704 O LEU A 43 8.969 18.971 -2.074 1.00 0.00 O ATOM 705 CB LEU A 43 10.492 16.049 -2.508 1.00 0.00 C ATOM 706 CG LEU A 43 10.810 14.767 -3.277 1.00 0.00 C ATOM 707 CD1 LEU A 43 12.005 14.056 -2.660 1.00 0.00 C ATOM 708 CD2 LEU A 43 9.597 13.847 -3.306 1.00 0.00 C ATOM 0 H LEU A 43 11.707 16.756 -4.532 1.00 0.00 H new ATOM 0 HA LEU A 43 9.033 17.064 -3.717 1.00 0.00 H new ATOM 0 HB2 LEU A 43 11.378 16.340 -1.944 1.00 0.00 H new ATOM 0 HB3 LEU A 43 9.710 15.829 -1.782 1.00 0.00 H new ATOM 0 HG LEU A 43 11.063 15.035 -4.303 1.00 0.00 H new ATOM 0 HD11 LEU A 43 12.216 13.146 -3.221 1.00 0.00 H new ATOM 0 HD12 LEU A 43 12.875 14.712 -2.692 1.00 0.00 H new ATOM 0 HD13 LEU A 43 11.781 13.800 -1.624 1.00 0.00 H new ATOM 0 HD21 LEU A 43 9.842 12.939 -3.858 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.313 13.587 -2.286 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.766 14.356 -3.795 1.00 0.00 H new ATOM 720 N TYR A 44 11.211 19.060 -2.246 1.00 0.00 N ATOM 721 CA TYR A 44 11.334 20.270 -1.442 1.00 0.00 C ATOM 722 C TYR A 44 10.595 21.435 -2.093 1.00 0.00 C ATOM 723 O TYR A 44 9.700 22.030 -1.492 1.00 0.00 O ATOM 724 CB TYR A 44 12.808 20.631 -1.248 1.00 0.00 C ATOM 725 CG TYR A 44 13.510 19.776 -0.218 1.00 0.00 C ATOM 726 CD1 TYR A 44 12.897 18.647 0.313 1.00 0.00 C ATOM 727 CD2 TYR A 44 14.788 20.096 0.224 1.00 0.00 C ATOM 728 CE1 TYR A 44 13.535 17.864 1.254 1.00 0.00 C ATOM 729 CE2 TYR A 44 15.434 19.317 1.165 1.00 0.00 C ATOM 730 CZ TYR A 44 14.804 18.203 1.677 1.00 0.00 C ATOM 731 OH TYR A 44 15.443 17.424 2.614 1.00 0.00 O ATOM 0 H TYR A 44 12.097 18.689 -2.589 1.00 0.00 H new ATOM 0 HA TYR A 44 10.883 20.076 -0.469 1.00 0.00 H new ATOM 0 HB2 TYR A 44 13.326 20.534 -2.202 1.00 0.00 H new ATOM 0 HB3 TYR A 44 12.881 21.677 -0.950 1.00 0.00 H new ATOM 0 HD1 TYR A 44 11.904 18.378 -0.016 1.00 0.00 H new ATOM 0 HD2 TYR A 44 15.285 20.968 -0.175 1.00 0.00 H new ATOM 0 HE1 TYR A 44 13.044 16.991 1.657 1.00 0.00 H new ATOM 0 HE2 TYR A 44 16.427 19.580 1.498 1.00 0.00 H new ATOM 0 HH TYR A 44 16.329 17.799 2.802 1.00 0.00 H new ATOM 741 N ARG A 45 10.975 21.753 -3.326 1.00 0.00 N ATOM 742 CA ARG A 45 10.349 22.847 -4.059 1.00 0.00 C ATOM 743 C ARG A 45 8.860 22.583 -4.264 1.00 0.00 C ATOM 744 O ARG A 45 8.072 23.514 -4.426 1.00 0.00 O ATOM 745 CB ARG A 45 11.035 23.038 -5.413 1.00 0.00 C ATOM 746 CG ARG A 45 11.103 24.489 -5.862 1.00 0.00 C ATOM 747 CD ARG A 45 11.684 24.613 -7.262 1.00 0.00 C ATOM 748 NE ARG A 45 10.697 24.306 -8.293 1.00 0.00 N ATOM 749 CZ ARG A 45 10.940 24.406 -9.596 1.00 0.00 C ATOM 750 NH1 ARG A 45 12.131 24.801 -10.023 1.00 0.00 N ATOM 751 NH2 ARG A 45 9.990 24.109 -10.473 1.00 0.00 N ATOM 0 H ARG A 45 11.713 21.269 -3.838 1.00 0.00 H new ATOM 0 HA ARG A 45 10.461 23.757 -3.470 1.00 0.00 H new ATOM 0 HB2 ARG A 45 12.047 22.636 -5.358 1.00 0.00 H new ATOM 0 HB3 ARG A 45 10.502 22.458 -6.166 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.104 24.924 -5.842 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.713 25.059 -5.162 1.00 0.00 H new ATOM 0 HD2 ARG A 45 12.060 25.625 -7.410 1.00 0.00 H new ATOM 0 HD3 ARG A 45 12.535 23.939 -7.362 1.00 0.00 H new ATOM 0 HE ARG A 45 9.771 23.998 -7.997 1.00 0.00 H new ATOM 0 HH11 ARG A 45 12.864 25.029 -9.351 1.00 0.00 H new ATOM 0 HH12 ARG A 45 12.315 24.877 -11.023 1.00 0.00 H new ATOM 0 HH21 ARG A 45 9.073 23.804 -10.148 1.00 0.00 H new ATOM 0 HH22 ARG A 45 10.177 24.186 -11.473 1.00 0.00 H new ATOM 765 N GLU A 46 8.484 21.308 -4.255 1.00 0.00 N ATOM 766 CA GLU A 46 7.090 20.923 -4.441 1.00 0.00 C ATOM 767 C GLU A 46 6.241 21.360 -3.250 1.00 0.00 C ATOM 768 O GLU A 46 5.334 22.181 -3.389 1.00 0.00 O ATOM 769 CB GLU A 46 6.977 19.409 -4.633 1.00 0.00 C ATOM 770 CG GLU A 46 5.544 18.904 -4.658 1.00 0.00 C ATOM 771 CD GLU A 46 5.328 17.816 -5.692 1.00 0.00 C ATOM 772 OE1 GLU A 46 6.325 17.207 -6.132 1.00 0.00 O ATOM 773 OE2 GLU A 46 4.159 17.574 -6.062 1.00 0.00 O ATOM 0 H GLU A 46 9.124 20.525 -4.121 1.00 0.00 H new ATOM 0 HA GLU A 46 6.718 21.424 -5.334 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.467 19.132 -5.566 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.516 18.908 -3.829 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.280 18.521 -3.672 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.873 19.737 -4.866 1.00 0.00 H new ATOM 780 N TYR A 47 6.542 20.805 -2.082 1.00 0.00 N ATOM 781 CA TYR A 47 5.806 21.134 -0.867 1.00 0.00 C ATOM 782 C TYR A 47 6.040 22.587 -0.465 1.00 0.00 C ATOM 783 O TYR A 47 5.200 23.205 0.189 1.00 0.00 O ATOM 784 CB TYR A 47 6.221 20.205 0.274 1.00 0.00 C ATOM 785 CG TYR A 47 5.195 20.107 1.381 1.00 0.00 C ATOM 786 CD1 TYR A 47 5.222 20.984 2.458 1.00 0.00 C ATOM 787 CD2 TYR A 47 4.199 19.139 1.349 1.00 0.00 C ATOM 788 CE1 TYR A 47 4.287 20.899 3.472 1.00 0.00 C ATOM 789 CE2 TYR A 47 3.259 19.047 2.357 1.00 0.00 C ATOM 790 CZ TYR A 47 3.307 19.929 3.416 1.00 0.00 C ATOM 791 OH TYR A 47 2.373 19.840 4.423 1.00 0.00 O ATOM 0 H TYR A 47 7.291 20.125 -1.950 1.00 0.00 H new ATOM 0 HA TYR A 47 4.744 20.998 -1.069 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.405 19.209 -0.129 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.163 20.558 0.694 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.987 21.745 2.504 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.159 18.446 0.521 1.00 0.00 H new ATOM 0 HE1 TYR A 47 4.323 21.588 4.303 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.491 18.289 2.316 1.00 0.00 H new ATOM 0 HH TYR A 47 1.754 19.105 4.231 1.00 0.00 H new ATOM 801 N ARG A 48 7.188 23.127 -0.862 1.00 0.00 N ATOM 802 CA ARG A 48 7.534 24.506 -0.544 1.00 0.00 C ATOM 803 C ARG A 48 6.721 25.481 -1.391 1.00 0.00 C ATOM 804 O ARG A 48 6.168 26.454 -0.879 1.00 0.00 O ATOM 805 CB ARG A 48 9.029 24.744 -0.767 1.00 0.00 C ATOM 806 CG ARG A 48 9.516 26.089 -0.252 1.00 0.00 C ATOM 807 CD ARG A 48 10.450 25.924 0.936 1.00 0.00 C ATOM 808 NE ARG A 48 9.900 25.024 1.946 1.00 0.00 N ATOM 809 CZ ARG A 48 8.924 25.364 2.780 1.00 0.00 C ATOM 810 NH1 ARG A 48 8.392 26.577 2.725 1.00 0.00 N ATOM 811 NH2 ARG A 48 8.476 24.488 3.671 1.00 0.00 N ATOM 0 H ARG A 48 7.894 22.630 -1.405 1.00 0.00 H new ATOM 0 HA ARG A 48 7.298 24.680 0.506 1.00 0.00 H new ATOM 0 HB2 ARG A 48 9.592 23.951 -0.275 1.00 0.00 H new ATOM 0 HB3 ARG A 48 9.244 24.673 -1.833 1.00 0.00 H new ATOM 0 HG2 ARG A 48 10.032 26.621 -1.051 1.00 0.00 H new ATOM 0 HG3 ARG A 48 8.661 26.700 0.038 1.00 0.00 H new ATOM 0 HD2 ARG A 48 11.410 25.539 0.591 1.00 0.00 H new ATOM 0 HD3 ARG A 48 10.641 26.899 1.385 1.00 0.00 H new ATOM 0 HE ARG A 48 10.287 24.083 2.015 1.00 0.00 H new ATOM 0 HH11 ARG A 48 8.732 27.253 2.041 1.00 0.00 H new ATOM 0 HH12 ARG A 48 7.643 26.835 3.367 1.00 0.00 H new ATOM 0 HH21 ARG A 48 8.881 23.553 3.715 1.00 0.00 H new ATOM 0 HH22 ARG A 48 7.726 24.750 4.311 1.00 0.00 H new ATOM 825 N THR A 49 6.654 25.212 -2.692 1.00 0.00 N ATOM 826 CA THR A 49 5.910 26.065 -3.610 1.00 0.00 C ATOM 827 C THR A 49 4.413 25.997 -3.334 1.00 0.00 C ATOM 828 O THR A 49 3.709 27.005 -3.419 1.00 0.00 O ATOM 829 CB THR A 49 6.168 25.669 -5.077 1.00 0.00 C ATOM 830 OG1 THR A 49 7.550 25.861 -5.400 1.00 0.00 O ATOM 831 CG2 THR A 49 5.302 26.492 -6.019 1.00 0.00 C ATOM 0 H THR A 49 7.106 24.411 -3.133 1.00 0.00 H new ATOM 0 HA THR A 49 6.260 27.084 -3.448 1.00 0.00 H new ATOM 0 HB THR A 49 5.910 24.617 -5.198 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.092 25.197 -4.925 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.501 26.195 -7.049 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.250 26.321 -5.789 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.533 27.550 -5.895 1.00 0.00 H new ATOM 839 N LEU A 50 3.931 24.805 -3.000 1.00 0.00 N ATOM 840 CA LEU A 50 2.515 24.606 -2.710 1.00 0.00 C ATOM 841 C LEU A 50 2.143 25.224 -1.365 1.00 0.00 C ATOM 842 O LEU A 50 1.087 25.840 -1.223 1.00 0.00 O ATOM 843 CB LEU A 50 2.179 23.114 -2.709 1.00 0.00 C ATOM 844 CG LEU A 50 1.551 22.567 -3.991 1.00 0.00 C ATOM 845 CD1 LEU A 50 0.224 23.254 -4.272 1.00 0.00 C ATOM 846 CD2 LEU A 50 2.503 22.739 -5.166 1.00 0.00 C ATOM 0 H LEU A 50 4.500 23.962 -2.923 1.00 0.00 H new ATOM 0 HA LEU A 50 1.936 25.102 -3.490 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.094 22.556 -2.510 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.498 22.916 -1.881 1.00 0.00 H new ATOM 0 HG LEU A 50 1.362 21.502 -3.855 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.207 22.851 -5.188 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.460 23.078 -3.441 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.386 24.326 -4.388 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.040 22.344 -6.070 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.724 23.798 -5.304 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.428 22.199 -4.967 1.00 0.00 H new ATOM 858 N LYS A 51 3.020 25.057 -0.381 1.00 0.00 N ATOM 859 CA LYS A 51 2.787 25.600 0.952 1.00 0.00 C ATOM 860 C LYS A 51 2.989 27.112 0.966 1.00 0.00 C ATOM 861 O LYS A 51 2.418 27.816 1.799 1.00 0.00 O ATOM 862 CB LYS A 51 3.725 24.940 1.965 1.00 0.00 C ATOM 863 CG LYS A 51 3.384 25.262 3.410 1.00 0.00 C ATOM 864 CD LYS A 51 4.442 26.145 4.049 1.00 0.00 C ATOM 865 CE LYS A 51 4.660 25.784 5.511 1.00 0.00 C ATOM 866 NZ LYS A 51 5.707 26.634 6.142 1.00 0.00 N ATOM 0 H LYS A 51 3.899 24.550 -0.482 1.00 0.00 H new ATOM 0 HA LYS A 51 1.755 25.386 1.229 1.00 0.00 H new ATOM 0 HB2 LYS A 51 3.694 23.859 1.825 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.747 25.259 1.762 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.417 25.762 3.454 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.290 24.336 3.978 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.380 26.043 3.504 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.141 27.190 3.972 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.723 25.897 6.057 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.949 24.736 5.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.826 26.357 7.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 6.608 26.507 5.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.420 27.632 6.092 1.00 0.00 H new ATOM 880 N ARG A 52 3.804 27.604 0.039 1.00 0.00 N ATOM 881 CA ARG A 52 4.081 29.032 -0.055 1.00 0.00 C ATOM 882 C ARG A 52 3.005 29.742 -0.872 1.00 0.00 C ATOM 883 O ARG A 52 2.665 30.895 -0.603 1.00 0.00 O ATOM 884 CB ARG A 52 5.454 29.267 -0.686 1.00 0.00 C ATOM 885 CG ARG A 52 6.611 29.073 0.281 1.00 0.00 C ATOM 886 CD ARG A 52 6.932 30.356 1.031 1.00 0.00 C ATOM 887 NE ARG A 52 5.897 30.694 2.004 1.00 0.00 N ATOM 888 CZ ARG A 52 5.795 30.121 3.198 1.00 0.00 C ATOM 889 NH1 ARG A 52 6.661 29.186 3.564 1.00 0.00 N ATOM 890 NH2 ARG A 52 4.825 30.483 4.028 1.00 0.00 N ATOM 0 H ARG A 52 4.284 27.035 -0.658 1.00 0.00 H new ATOM 0 HA ARG A 52 4.078 29.444 0.954 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.578 28.587 -1.529 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.492 30.280 -1.086 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.363 28.286 0.993 1.00 0.00 H new ATOM 0 HG3 ARG A 52 7.493 28.740 -0.267 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.889 30.248 1.542 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.042 31.174 0.319 1.00 0.00 H new ATOM 0 HE ARG A 52 5.215 31.410 1.753 1.00 0.00 H new ATOM 0 HH11 ARG A 52 7.408 28.905 2.928 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.581 28.747 4.481 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.157 31.202 3.749 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.747 30.043 4.945 1.00 0.00 H new ATOM 904 N THR A 53 2.473 29.046 -1.872 1.00 0.00 N ATOM 905 CA THR A 53 1.438 29.609 -2.729 1.00 0.00 C ATOM 906 C THR A 53 0.062 29.481 -2.086 1.00 0.00 C ATOM 907 O THR A 53 -0.817 30.316 -2.302 1.00 0.00 O ATOM 908 CB THR A 53 1.414 28.922 -4.107 1.00 0.00 C ATOM 909 OG1 THR A 53 0.572 29.652 -5.005 1.00 0.00 O ATOM 910 CG2 THR A 53 0.916 27.489 -3.989 1.00 0.00 C ATOM 0 H THR A 53 2.742 28.091 -2.108 1.00 0.00 H new ATOM 0 HA THR A 53 1.677 30.664 -2.862 1.00 0.00 H new ATOM 0 HB THR A 53 2.432 28.906 -4.497 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.564 29.209 -5.879 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.908 27.024 -4.975 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.577 26.927 -3.329 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.094 27.487 -3.579 1.00 0.00 H new