USER MOD reduce.3.24.130724 H: found=0, std=0, add=379, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 371 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 CYS SG : rot -143:sc= 0.567 USER MOD Set 1.2: A 21 CYS SG : rot -96:sc= 0.478 USER MOD Set 1.3: A 44 CYS SG : rot -75:sc= 0.662 USER MOD Set 1.4: A 47 CYS SG : rot 66:sc= 0.947 USER MOD Set 2.1: A 3 CYS SG : rot 2:sc= 0.182 USER MOD Set 2.2: A 6 CYS SG : rot -98:sc= 0.308 USER MOD Set 2.3: A 26 HIS : no HD1:sc= -0.552 K(o=0.1,f=-1.5) USER MOD Set 2.4: A 29 CYS SG : rot 166:sc= 0.165 USER MOD Single : A 1 ALA N :NH3+ -175:sc= 1.24 (180deg=1.16) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 175:sc= 0.341 (180deg=0.329) USER MOD Single : A 9 LYS NZ :NH3+ 171:sc= 0.472 (180deg=0.421) USER MOD Single : A 14 LYS NZ :NH3+ -152:sc= 1.69 (180deg=0.574) USER MOD Single : A 22 ASN : amide:sc= 0.221 X(o=0.22,f=0) USER MOD Single : A 23 LYS NZ :NH3+ -176:sc= 0.971 (180deg=0.957) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0.344 X(o=0.34,f=0) USER MOD Single : A 48 GLN : amide:sc= -0.104 X(o=-0.1,f=-0.1) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 5.249 11.228 -7.074 1.00 0.00 N ATOM 2 CA ALA A 1 4.575 9.980 -7.480 1.00 0.00 C ATOM 3 C ALA A 1 4.279 9.107 -6.259 1.00 0.00 C ATOM 4 O ALA A 1 4.779 9.384 -5.169 1.00 0.00 O ATOM 5 CB ALA A 1 5.419 9.222 -8.509 1.00 0.00 C ATOM 0 H1 ALA A 1 5.366 11.845 -7.903 1.00 0.00 H new ATOM 0 H2 ALA A 1 4.674 11.716 -6.358 1.00 0.00 H new ATOM 0 H3 ALA A 1 6.183 11.004 -6.675 1.00 0.00 H new ATOM 0 HA ALA A 1 3.625 10.236 -7.948 1.00 0.00 H new ATOM 0 HB1 ALA A 1 4.905 8.305 -8.796 1.00 0.00 H new ATOM 0 HB2 ALA A 1 5.566 9.847 -9.390 1.00 0.00 H new ATOM 0 HB3 ALA A 1 6.387 8.975 -8.074 1.00 0.00 H new ATOM 13 N ARG A 2 3.470 8.055 -6.447 1.00 0.00 N ATOM 14 CA ARG A 2 3.274 7.019 -5.439 1.00 0.00 C ATOM 15 C ARG A 2 4.420 6.004 -5.463 1.00 0.00 C ATOM 16 O ARG A 2 5.341 6.114 -6.270 1.00 0.00 O ATOM 17 CB ARG A 2 1.890 6.370 -5.592 1.00 0.00 C ATOM 18 CG ARG A 2 1.785 5.396 -6.774 1.00 0.00 C ATOM 19 CD ARG A 2 0.336 4.935 -6.967 1.00 0.00 C ATOM 20 NE ARG A 2 -0.200 4.276 -5.766 1.00 0.00 N ATOM 21 CZ ARG A 2 -1.486 3.921 -5.601 1.00 0.00 C ATOM 22 NH1 ARG A 2 -2.377 4.104 -6.586 1.00 0.00 N ATOM 23 NH2 ARG A 2 -1.889 3.382 -4.441 1.00 0.00 N ATOM 0 H ARG A 2 2.936 7.904 -7.303 1.00 0.00 H new ATOM 0 HA ARG A 2 3.296 7.479 -4.451 1.00 0.00 H new ATOM 0 HB2 ARG A 2 1.646 5.837 -4.673 1.00 0.00 H new ATOM 0 HB3 ARG A 2 1.143 7.155 -5.714 1.00 0.00 H new ATOM 0 HG2 ARG A 2 2.143 5.879 -7.683 1.00 0.00 H new ATOM 0 HG3 ARG A 2 2.427 4.532 -6.599 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -0.287 5.794 -7.217 1.00 0.00 H new ATOM 0 HD3 ARG A 2 0.284 4.247 -7.811 1.00 0.00 H new ATOM 0 HE ARG A 2 0.449 4.074 -5.006 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -2.081 4.516 -7.471 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -3.350 3.831 -6.450 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -1.220 3.242 -3.684 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -2.865 3.113 -4.316 1.00 0.00 H new ATOM 37 N CYS A 3 4.337 5.008 -4.575 1.00 0.00 N ATOM 38 CA CYS A 3 5.410 4.072 -4.271 1.00 0.00 C ATOM 39 C CYS A 3 5.007 2.633 -4.611 1.00 0.00 C ATOM 40 O CYS A 3 3.829 2.333 -4.800 1.00 0.00 O ATOM 41 CB CYS A 3 5.732 4.259 -2.786 1.00 0.00 C ATOM 42 SG CYS A 3 7.114 3.321 -2.098 1.00 0.00 S ATOM 0 H CYS A 3 3.491 4.830 -4.034 1.00 0.00 H new ATOM 0 HA CYS A 3 6.296 4.267 -4.876 1.00 0.00 H new ATOM 0 HB2 CYS A 3 5.929 5.318 -2.617 1.00 0.00 H new ATOM 0 HB3 CYS A 3 4.839 4.006 -2.215 1.00 0.00 H new ATOM 0 HG CYS A 3 7.675 2.621 -3.039 1.00 0.00 H new ATOM 47 N LYS A 4 5.999 1.741 -4.696 1.00 0.00 N ATOM 48 CA LYS A 4 5.815 0.300 -4.795 1.00 0.00 C ATOM 49 C LYS A 4 5.393 -0.268 -3.439 1.00 0.00 C ATOM 50 O LYS A 4 4.410 -1.002 -3.346 1.00 0.00 O ATOM 51 CB LYS A 4 7.124 -0.324 -5.300 1.00 0.00 C ATOM 52 CG LYS A 4 7.098 -1.855 -5.414 1.00 0.00 C ATOM 53 CD LYS A 4 6.049 -2.352 -6.415 1.00 0.00 C ATOM 54 CE LYS A 4 6.185 -3.863 -6.626 1.00 0.00 C ATOM 55 NZ LYS A 4 5.182 -4.372 -7.579 1.00 0.00 N ATOM 0 H LYS A 4 6.981 2.017 -4.697 1.00 0.00 H new ATOM 0 HA LYS A 4 5.021 0.061 -5.502 1.00 0.00 H new ATOM 0 HB2 LYS A 4 7.358 0.096 -6.278 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.932 -0.036 -4.627 1.00 0.00 H new ATOM 0 HG2 LYS A 4 8.083 -2.210 -5.718 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.893 -2.286 -4.434 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.049 -2.118 -6.050 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.170 -1.833 -7.366 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.185 -4.091 -6.994 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.073 -4.376 -5.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.304 -5.398 -7.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 4.227 -4.177 -7.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.306 -3.901 -8.498 1.00 0.00 H new ATOM 69 N VAL A 5 6.155 0.072 -2.396 1.00 0.00 N ATOM 70 CA VAL A 5 6.064 -0.512 -1.065 1.00 0.00 C ATOM 71 C VAL A 5 4.794 -0.012 -0.373 1.00 0.00 C ATOM 72 O VAL A 5 3.789 -0.723 -0.354 1.00 0.00 O ATOM 73 CB VAL A 5 7.351 -0.197 -0.278 1.00 0.00 C ATOM 74 CG1 VAL A 5 7.312 -0.717 1.164 1.00 0.00 C ATOM 75 CG2 VAL A 5 8.561 -0.822 -0.980 1.00 0.00 C ATOM 0 H VAL A 5 6.878 0.789 -2.463 1.00 0.00 H new ATOM 0 HA VAL A 5 5.985 -1.598 -1.122 1.00 0.00 H new ATOM 0 HB VAL A 5 7.432 0.890 -0.246 1.00 0.00 H new ATOM 0 HG11 VAL A 5 8.246 -0.465 1.667 1.00 0.00 H new ATOM 0 HG12 VAL A 5 6.478 -0.257 1.694 1.00 0.00 H new ATOM 0 HG13 VAL A 5 7.184 -1.799 1.157 1.00 0.00 H new ATOM 0 HG21 VAL A 5 9.466 -0.594 -0.417 1.00 0.00 H new ATOM 0 HG22 VAL A 5 8.431 -1.903 -1.036 1.00 0.00 H new ATOM 0 HG23 VAL A 5 8.648 -0.414 -1.987 1.00 0.00 H new ATOM 85 N CYS A 6 4.831 1.207 0.179 1.00 0.00 N ATOM 86 CA CYS A 6 3.737 1.761 0.970 1.00 0.00 C ATOM 87 C CYS A 6 2.542 2.160 0.098 1.00 0.00 C ATOM 88 O CYS A 6 1.425 2.234 0.608 1.00 0.00 O ATOM 89 CB CYS A 6 4.229 2.944 1.810 1.00 0.00 C ATOM 90 SG CYS A 6 4.912 4.344 0.889 1.00 0.00 S ATOM 0 H CYS A 6 5.628 1.837 0.086 1.00 0.00 H new ATOM 0 HA CYS A 6 3.388 0.979 1.644 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.397 3.304 2.415 1.00 0.00 H new ATOM 0 HB3 CYS A 6 4.992 2.582 2.499 1.00 0.00 H new ATOM 0 HG CYS A 6 6.210 4.267 0.881 1.00 0.00 H new ATOM 95 N ARG A 7 2.784 2.397 -1.201 1.00 0.00 N ATOM 96 CA ARG A 7 1.791 2.585 -2.254 1.00 0.00 C ATOM 97 C ARG A 7 0.683 3.572 -1.894 1.00 0.00 C ATOM 98 O ARG A 7 -0.502 3.254 -1.967 1.00 0.00 O ATOM 99 CB ARG A 7 1.320 1.235 -2.829 1.00 0.00 C ATOM 100 CG ARG A 7 0.604 0.302 -1.836 1.00 0.00 C ATOM 101 CD ARG A 7 0.443 -1.110 -2.406 1.00 0.00 C ATOM 102 NE ARG A 7 1.750 -1.772 -2.536 1.00 0.00 N ATOM 103 CZ ARG A 7 1.969 -3.095 -2.593 1.00 0.00 C ATOM 104 NH1 ARG A 7 0.955 -3.971 -2.562 1.00 0.00 N ATOM 105 NH2 ARG A 7 3.231 -3.534 -2.687 1.00 0.00 N ATOM 0 H ARG A 7 3.737 2.465 -1.559 1.00 0.00 H new ATOM 0 HA ARG A 7 2.288 3.092 -3.081 1.00 0.00 H new ATOM 0 HB2 ARG A 7 0.648 1.431 -3.665 1.00 0.00 H new ATOM 0 HB3 ARG A 7 2.186 0.711 -3.233 1.00 0.00 H new ATOM 0 HG2 ARG A 7 1.170 0.257 -0.905 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -0.377 0.711 -1.594 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -0.205 -1.698 -1.756 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -0.043 -1.061 -3.380 1.00 0.00 H new ATOM 0 HE ARG A 7 2.570 -1.167 -2.588 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -0.006 -3.636 -2.494 1.00 0.00 H new ATOM 0 HH12 ARG A 7 1.144 -4.972 -2.607 1.00 0.00 H new ATOM 0 HH21 ARG A 7 4.002 -2.867 -2.714 1.00 0.00 H new ATOM 0 HH22 ARG A 7 3.421 -4.535 -2.732 1.00 0.00 H new ATOM 119 N LYS A 8 1.097 4.796 -1.547 1.00 0.00 N ATOM 120 CA LYS A 8 0.241 5.960 -1.369 1.00 0.00 C ATOM 121 C LYS A 8 0.890 7.116 -2.125 1.00 0.00 C ATOM 122 O LYS A 8 2.110 7.268 -2.071 1.00 0.00 O ATOM 123 CB LYS A 8 0.118 6.300 0.121 1.00 0.00 C ATOM 124 CG LYS A 8 -0.542 5.160 0.906 1.00 0.00 C ATOM 125 CD LYS A 8 -0.503 5.428 2.414 1.00 0.00 C ATOM 126 CE LYS A 8 -0.902 4.176 3.205 1.00 0.00 C ATOM 127 NZ LYS A 8 0.126 3.119 3.131 1.00 0.00 N ATOM 0 H LYS A 8 2.081 5.004 -1.377 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.762 5.767 -1.750 1.00 0.00 H new ATOM 0 HB2 LYS A 8 1.107 6.501 0.532 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.468 7.212 0.240 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.576 5.043 0.582 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -0.032 4.222 0.688 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.499 5.743 2.705 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.178 6.248 2.659 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -1.070 4.445 4.248 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.846 3.790 2.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.146 2.326 3.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.208 2.783 2.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.041 3.502 3.443 1.00 0.00 H new ATOM 141 N LYS A 9 0.088 7.931 -2.823 1.00 0.00 N ATOM 142 CA LYS A 9 0.559 9.182 -3.404 1.00 0.00 C ATOM 143 C LYS A 9 0.576 10.267 -2.319 1.00 0.00 C ATOM 144 O LYS A 9 -0.094 11.292 -2.442 1.00 0.00 O ATOM 145 CB LYS A 9 -0.331 9.565 -4.597 1.00 0.00 C ATOM 146 CG LYS A 9 0.396 10.586 -5.486 1.00 0.00 C ATOM 147 CD LYS A 9 -0.553 11.569 -6.183 1.00 0.00 C ATOM 148 CE LYS A 9 -1.179 12.601 -5.231 1.00 0.00 C ATOM 149 NZ LYS A 9 -0.168 13.425 -4.540 1.00 0.00 N ATOM 0 H LYS A 9 -0.898 7.738 -2.997 1.00 0.00 H new ATOM 0 HA LYS A 9 1.576 9.070 -3.780 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.579 8.676 -5.177 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.271 9.985 -4.240 1.00 0.00 H new ATOM 0 HG2 LYS A 9 1.106 11.147 -4.878 1.00 0.00 H new ATOM 0 HG3 LYS A 9 0.974 10.053 -6.241 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -0.007 12.094 -6.966 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.350 11.008 -6.671 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -1.848 13.251 -5.795 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -1.788 12.083 -4.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.640 14.200 -4.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 0.357 12.835 -3.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 0.493 13.822 -5.238 1.00 0.00 H new ATOM 163 N GLY A 10 1.347 10.028 -1.254 1.00 0.00 N ATOM 164 CA GLY A 10 1.349 10.841 -0.050 1.00 0.00 C ATOM 165 C GLY A 10 2.583 11.731 -0.046 1.00 0.00 C ATOM 166 O GLY A 10 2.485 12.941 -0.245 1.00 0.00 O ATOM 0 H GLY A 10 1.999 9.245 -1.211 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.447 11.451 -0.008 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.344 10.203 0.834 1.00 0.00 H new ATOM 170 N GLU A 11 3.748 11.116 0.184 1.00 0.00 N ATOM 171 CA GLU A 11 5.010 11.812 0.349 1.00 0.00 C ATOM 172 C GLU A 11 5.635 12.008 -1.032 1.00 0.00 C ATOM 173 O GLU A 11 6.640 11.380 -1.361 1.00 0.00 O ATOM 174 CB GLU A 11 5.933 11.050 1.317 1.00 0.00 C ATOM 175 CG GLU A 11 5.252 10.593 2.618 1.00 0.00 C ATOM 176 CD GLU A 11 4.427 9.306 2.493 1.00 0.00 C ATOM 177 OE1 GLU A 11 4.437 8.698 1.398 1.00 0.00 O ATOM 178 OE2 GLU A 11 3.789 8.950 3.506 1.00 0.00 O ATOM 0 H GLU A 11 3.832 10.102 0.260 1.00 0.00 H new ATOM 0 HA GLU A 11 4.850 12.792 0.799 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.334 10.175 0.805 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.780 11.688 1.569 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.017 10.445 3.380 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.601 11.393 2.971 1.00 0.00 H new ATOM 185 N ASP A 12 5.027 12.881 -1.845 1.00 0.00 N ATOM 186 CA ASP A 12 5.562 13.320 -3.129 1.00 0.00 C ATOM 187 C ASP A 12 6.741 14.271 -2.895 1.00 0.00 C ATOM 188 O ASP A 12 6.664 15.458 -3.208 1.00 0.00 O ATOM 189 CB ASP A 12 4.444 13.974 -3.952 1.00 0.00 C ATOM 190 CG ASP A 12 3.310 13.001 -4.269 1.00 0.00 C ATOM 191 OD1 ASP A 12 2.368 12.926 -3.450 1.00 0.00 O ATOM 192 OD2 ASP A 12 3.393 12.358 -5.338 1.00 0.00 O ATOM 0 H ASP A 12 4.129 13.308 -1.618 1.00 0.00 H new ATOM 0 HA ASP A 12 5.935 12.468 -3.697 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.045 14.827 -3.404 1.00 0.00 H new ATOM 0 HB3 ASP A 12 4.860 14.359 -4.883 1.00 0.00 H new ATOM 197 N ASP A 13 7.835 13.727 -2.348 1.00 0.00 N ATOM 198 CA ASP A 13 8.980 14.466 -1.840 1.00 0.00 C ATOM 199 C ASP A 13 10.193 14.204 -2.734 1.00 0.00 C ATOM 200 O ASP A 13 10.511 15.020 -3.597 1.00 0.00 O ATOM 201 CB ASP A 13 9.203 14.058 -0.376 1.00 0.00 C ATOM 202 CG ASP A 13 10.497 14.621 0.203 1.00 0.00 C ATOM 203 OD1 ASP A 13 10.624 15.864 0.219 1.00 0.00 O ATOM 204 OD2 ASP A 13 11.342 13.795 0.610 1.00 0.00 O ATOM 0 H ASP A 13 7.944 12.718 -2.247 1.00 0.00 H new ATOM 0 HA ASP A 13 8.808 15.542 -1.862 1.00 0.00 H new ATOM 0 HB2 ASP A 13 8.361 14.402 0.225 1.00 0.00 H new ATOM 0 HB3 ASP A 13 9.221 12.970 -0.305 1.00 0.00 H new ATOM 209 N LYS A 14 10.859 13.062 -2.532 1.00 0.00 N ATOM 210 CA LYS A 14 12.112 12.704 -3.183 1.00 0.00 C ATOM 211 C LYS A 14 12.125 11.191 -3.406 1.00 0.00 C ATOM 212 O LYS A 14 12.871 10.470 -2.745 1.00 0.00 O ATOM 213 CB LYS A 14 13.310 13.145 -2.326 1.00 0.00 C ATOM 214 CG LYS A 14 13.415 14.669 -2.172 1.00 0.00 C ATOM 215 CD LYS A 14 14.712 15.102 -1.474 1.00 0.00 C ATOM 216 CE LYS A 14 14.889 14.438 -0.103 1.00 0.00 C ATOM 217 NZ LYS A 14 15.989 15.050 0.661 1.00 0.00 N ATOM 0 H LYS A 14 10.526 12.343 -1.890 1.00 0.00 H new ATOM 0 HA LYS A 14 12.193 13.215 -4.143 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.229 12.691 -1.338 1.00 0.00 H new ATOM 0 HB3 LYS A 14 14.229 12.768 -2.775 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.363 15.135 -3.156 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.560 15.033 -1.602 1.00 0.00 H new ATOM 0 HD2 LYS A 14 15.563 14.853 -2.108 1.00 0.00 H new ATOM 0 HD3 LYS A 14 14.712 16.185 -1.353 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.962 14.521 0.464 1.00 0.00 H new ATOM 0 HE3 LYS A 14 15.086 13.374 -0.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 16.394 14.346 1.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 16.726 15.380 0.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 15.625 15.857 1.207 1.00 0.00 H new ATOM 231 N LEU A 15 11.291 10.703 -4.333 1.00 0.00 N ATOM 232 CA LEU A 15 11.226 9.282 -4.634 1.00 0.00 C ATOM 233 C LEU A 15 12.444 8.861 -5.459 1.00 0.00 C ATOM 234 O LEU A 15 12.708 9.415 -6.525 1.00 0.00 O ATOM 235 CB LEU A 15 9.923 8.898 -5.351 1.00 0.00 C ATOM 236 CG LEU A 15 8.712 8.850 -4.402 1.00 0.00 C ATOM 237 CD1 LEU A 15 8.075 10.232 -4.209 1.00 0.00 C ATOM 238 CD2 LEU A 15 7.663 7.874 -4.942 1.00 0.00 C ATOM 0 H LEU A 15 10.654 11.279 -4.884 1.00 0.00 H new ATOM 0 HA LEU A 15 11.235 8.745 -3.685 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.727 9.616 -6.147 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.047 7.924 -5.824 1.00 0.00 H new ATOM 0 HG LEU A 15 9.073 8.511 -3.431 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.225 10.149 -3.532 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.811 10.916 -3.786 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.736 10.614 -5.172 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.809 7.846 -4.265 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.333 8.203 -5.928 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.098 6.878 -5.019 1.00 0.00 H new ATOM 250 N ILE A 16 13.183 7.882 -4.933 1.00 0.00 N ATOM 251 CA ILE A 16 14.242 7.176 -5.629 1.00 0.00 C ATOM 252 C ILE A 16 13.584 6.147 -6.550 1.00 0.00 C ATOM 253 O ILE A 16 13.096 5.115 -6.092 1.00 0.00 O ATOM 254 CB ILE A 16 15.242 6.561 -4.624 1.00 0.00 C ATOM 255 CG1 ILE A 16 16.156 5.540 -5.323 1.00 0.00 C ATOM 256 CG2 ILE A 16 14.573 5.923 -3.393 1.00 0.00 C ATOM 257 CD1 ILE A 16 17.491 5.364 -4.593 1.00 0.00 C ATOM 0 H ILE A 16 13.050 7.553 -3.977 1.00 0.00 H new ATOM 0 HA ILE A 16 14.837 7.853 -6.241 1.00 0.00 H new ATOM 0 HB ILE A 16 15.839 7.393 -4.251 1.00 0.00 H new ATOM 0 HG12 ILE A 16 15.646 4.578 -5.381 1.00 0.00 H new ATOM 0 HG13 ILE A 16 16.344 5.864 -6.347 1.00 0.00 H new ATOM 0 HG21 ILE A 16 15.339 5.513 -2.734 1.00 0.00 H new ATOM 0 HG22 ILE A 16 14.000 6.680 -2.857 1.00 0.00 H new ATOM 0 HG23 ILE A 16 13.906 5.124 -3.715 1.00 0.00 H new ATOM 0 HD11 ILE A 16 18.102 4.634 -5.123 1.00 0.00 H new ATOM 0 HD12 ILE A 16 18.015 6.319 -4.558 1.00 0.00 H new ATOM 0 HD13 ILE A 16 17.307 5.014 -3.577 1.00 0.00 H new ATOM 269 N LEU A 17 13.543 6.446 -7.852 1.00 0.00 N ATOM 270 CA LEU A 17 13.150 5.479 -8.856 1.00 0.00 C ATOM 271 C LEU A 17 14.310 4.518 -9.099 1.00 0.00 C ATOM 272 O LEU A 17 15.473 4.873 -8.915 1.00 0.00 O ATOM 273 CB LEU A 17 12.762 6.181 -10.159 1.00 0.00 C ATOM 274 CG LEU A 17 11.779 7.347 -9.989 1.00 0.00 C ATOM 275 CD1 LEU A 17 11.459 7.942 -11.365 1.00 0.00 C ATOM 276 CD2 LEU A 17 10.480 6.926 -9.294 1.00 0.00 C ATOM 0 H LEU A 17 13.782 7.363 -8.228 1.00 0.00 H new ATOM 0 HA LEU A 17 12.281 4.924 -8.501 1.00 0.00 H new ATOM 0 HB2 LEU A 17 13.667 6.553 -10.639 1.00 0.00 H new ATOM 0 HB3 LEU A 17 12.322 5.447 -10.834 1.00 0.00 H new ATOM 0 HG LEU A 17 12.257 8.090 -9.351 1.00 0.00 H new ATOM 0 HD11 LEU A 17 10.761 8.771 -11.249 1.00 0.00 H new ATOM 0 HD12 LEU A 17 12.377 8.303 -11.828 1.00 0.00 H new ATOM 0 HD13 LEU A 17 11.011 7.176 -11.997 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.821 7.789 -9.200 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.985 6.155 -9.884 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.708 6.534 -8.303 1.00 0.00 H new ATOM 288 N CYS A 18 13.977 3.298 -9.522 1.00 0.00 N ATOM 289 CA CYS A 18 14.958 2.312 -9.942 1.00 0.00 C ATOM 290 C CYS A 18 15.303 2.499 -11.419 1.00 0.00 C ATOM 291 O CYS A 18 14.419 2.436 -12.271 1.00 0.00 O ATOM 292 CB CYS A 18 14.450 0.902 -9.649 1.00 0.00 C ATOM 293 SG CYS A 18 15.540 -0.390 -10.281 1.00 0.00 S ATOM 0 H CYS A 18 13.013 2.970 -9.581 1.00 0.00 H new ATOM 0 HA CYS A 18 15.876 2.456 -9.372 1.00 0.00 H new ATOM 0 HB2 CYS A 18 14.338 0.779 -8.572 1.00 0.00 H new ATOM 0 HB3 CYS A 18 13.460 0.781 -10.088 1.00 0.00 H new ATOM 0 HG CYS A 18 14.826 -1.380 -10.728 1.00 0.00 H new ATOM 298 N ASP A 19 16.593 2.691 -11.715 1.00 0.00 N ATOM 299 CA ASP A 19 17.135 2.749 -13.066 1.00 0.00 C ATOM 300 C ASP A 19 16.757 1.514 -13.885 1.00 0.00 C ATOM 301 O ASP A 19 16.172 1.629 -14.961 1.00 0.00 O ATOM 302 CB ASP A 19 18.664 2.874 -12.991 1.00 0.00 C ATOM 303 CG ASP A 19 19.281 2.991 -14.381 1.00 0.00 C ATOM 304 OD1 ASP A 19 19.208 4.106 -14.941 1.00 0.00 O ATOM 305 OD2 ASP A 19 19.805 1.962 -14.861 1.00 0.00 O ATOM 0 H ASP A 19 17.306 2.813 -10.995 1.00 0.00 H new ATOM 0 HA ASP A 19 16.708 3.618 -13.566 1.00 0.00 H new ATOM 0 HB2 ASP A 19 18.931 3.749 -12.398 1.00 0.00 H new ATOM 0 HB3 ASP A 19 19.077 2.005 -12.480 1.00 0.00 H new ATOM 310 N GLU A 20 17.093 0.339 -13.346 1.00 0.00 N ATOM 311 CA GLU A 20 17.046 -0.944 -14.024 1.00 0.00 C ATOM 312 C GLU A 20 15.656 -1.251 -14.588 1.00 0.00 C ATOM 313 O GLU A 20 15.508 -1.403 -15.800 1.00 0.00 O ATOM 314 CB GLU A 20 17.504 -2.046 -13.057 1.00 0.00 C ATOM 315 CG GLU A 20 18.946 -1.849 -12.565 1.00 0.00 C ATOM 316 CD GLU A 20 19.314 -2.896 -11.517 1.00 0.00 C ATOM 317 OE1 GLU A 20 19.490 -4.067 -11.918 1.00 0.00 O ATOM 318 OE2 GLU A 20 19.398 -2.511 -10.330 1.00 0.00 O ATOM 0 H GLU A 20 17.419 0.261 -12.383 1.00 0.00 H new ATOM 0 HA GLU A 20 17.723 -0.904 -14.878 1.00 0.00 H new ATOM 0 HB2 GLU A 20 16.833 -2.071 -12.198 1.00 0.00 H new ATOM 0 HB3 GLU A 20 17.424 -3.014 -13.553 1.00 0.00 H new ATOM 0 HG2 GLU A 20 19.634 -1.915 -13.408 1.00 0.00 H new ATOM 0 HG3 GLU A 20 19.056 -0.851 -12.141 1.00 0.00 H new ATOM 325 N CYS A 21 14.653 -1.362 -13.707 1.00 0.00 N ATOM 326 CA CYS A 21 13.324 -1.866 -14.041 1.00 0.00 C ATOM 327 C CYS A 21 12.198 -0.860 -13.771 1.00 0.00 C ATOM 328 O CYS A 21 11.034 -1.246 -13.856 1.00 0.00 O ATOM 329 CB CYS A 21 13.090 -3.190 -13.301 1.00 0.00 C ATOM 330 SG CYS A 21 13.092 -3.080 -11.490 1.00 0.00 S ATOM 0 H CYS A 21 14.749 -1.098 -12.726 1.00 0.00 H new ATOM 0 HA CYS A 21 13.295 -2.034 -15.118 1.00 0.00 H new ATOM 0 HB2 CYS A 21 12.133 -3.602 -13.622 1.00 0.00 H new ATOM 0 HB3 CYS A 21 13.860 -3.898 -13.606 1.00 0.00 H new ATOM 0 HG CYS A 21 14.273 -3.382 -11.038 1.00 0.00 H new ATOM 335 N ASN A 22 12.513 0.408 -13.462 1.00 0.00 N ATOM 336 CA ASN A 22 11.540 1.496 -13.394 1.00 0.00 C ATOM 337 C ASN A 22 10.451 1.201 -12.355 1.00 0.00 C ATOM 338 O ASN A 22 9.319 0.864 -12.703 1.00 0.00 O ATOM 339 CB ASN A 22 10.990 1.804 -14.796 1.00 0.00 C ATOM 340 CG ASN A 22 10.202 3.113 -14.830 1.00 0.00 C ATOM 341 OD1 ASN A 22 10.736 4.146 -15.226 1.00 0.00 O ATOM 342 ND2 ASN A 22 8.925 3.075 -14.439 1.00 0.00 N ATOM 0 H ASN A 22 13.466 0.704 -13.250 1.00 0.00 H new ATOM 0 HA ASN A 22 12.035 2.403 -13.048 1.00 0.00 H new ATOM 0 HB2 ASN A 22 11.816 1.860 -15.505 1.00 0.00 H new ATOM 0 HB3 ASN A 22 10.347 0.986 -15.120 1.00 0.00 H new ATOM 0 HD21 ASN A 22 8.359 3.923 -14.463 1.00 0.00 H new ATOM 0 HD22 ASN A 22 8.516 2.198 -14.116 1.00 0.00 H new ATOM 349 N LYS A 23 10.813 1.313 -11.070 1.00 0.00 N ATOM 350 CA LYS A 23 9.960 1.058 -9.929 1.00 0.00 C ATOM 351 C LYS A 23 10.212 2.147 -8.887 1.00 0.00 C ATOM 352 O LYS A 23 11.365 2.447 -8.579 1.00 0.00 O ATOM 353 CB LYS A 23 10.317 -0.316 -9.354 1.00 0.00 C ATOM 354 CG LYS A 23 10.022 -1.492 -10.296 1.00 0.00 C ATOM 355 CD LYS A 23 8.521 -1.714 -10.530 1.00 0.00 C ATOM 356 CE LYS A 23 8.273 -2.779 -11.604 1.00 0.00 C ATOM 357 NZ LYS A 23 8.580 -2.278 -12.958 1.00 0.00 N ATOM 0 H LYS A 23 11.754 1.598 -10.798 1.00 0.00 H new ATOM 0 HA LYS A 23 8.908 1.067 -10.215 1.00 0.00 H new ATOM 0 HB2 LYS A 23 11.377 -0.326 -9.100 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.765 -0.463 -8.425 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.511 -1.314 -11.254 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.457 -2.401 -9.880 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.047 -2.019 -9.597 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.056 -0.776 -10.832 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.886 -3.656 -11.394 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.232 -3.100 -11.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.335 -3.004 -13.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.027 -1.417 -13.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.594 -2.059 -13.025 1.00 0.00 H new ATOM 371 N ALA A 24 9.135 2.737 -8.356 1.00 0.00 N ATOM 372 CA ALA A 24 9.192 3.923 -7.514 1.00 0.00 C ATOM 373 C ALA A 24 9.300 3.516 -6.046 1.00 0.00 C ATOM 374 O ALA A 24 8.504 2.708 -5.574 1.00 0.00 O ATOM 375 CB ALA A 24 7.945 4.778 -7.757 1.00 0.00 C ATOM 0 H ALA A 24 8.187 2.393 -8.506 1.00 0.00 H new ATOM 0 HA ALA A 24 10.074 4.512 -7.766 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.985 5.667 -7.128 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.907 5.077 -8.805 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.054 4.200 -7.512 1.00 0.00 H new ATOM 381 N PHE A 25 10.287 4.067 -5.334 1.00 0.00 N ATOM 382 CA PHE A 25 10.488 3.858 -3.905 1.00 0.00 C ATOM 383 C PHE A 25 10.776 5.197 -3.235 1.00 0.00 C ATOM 384 O PHE A 25 11.327 6.094 -3.867 1.00 0.00 O ATOM 385 CB PHE A 25 11.680 2.915 -3.677 1.00 0.00 C ATOM 386 CG PHE A 25 11.368 1.437 -3.805 1.00 0.00 C ATOM 387 CD1 PHE A 25 11.131 0.864 -5.069 1.00 0.00 C ATOM 388 CD2 PHE A 25 11.390 0.616 -2.661 1.00 0.00 C ATOM 389 CE1 PHE A 25 10.845 -0.507 -5.179 1.00 0.00 C ATOM 390 CE2 PHE A 25 11.215 -0.773 -2.789 1.00 0.00 C ATOM 391 CZ PHE A 25 10.906 -1.330 -4.042 1.00 0.00 C ATOM 0 H PHE A 25 10.984 4.686 -5.750 1.00 0.00 H new ATOM 0 HA PHE A 25 9.589 3.414 -3.478 1.00 0.00 H new ATOM 0 HB2 PHE A 25 12.464 3.168 -4.391 1.00 0.00 H new ATOM 0 HB3 PHE A 25 12.084 3.100 -2.681 1.00 0.00 H new ATOM 0 HD1 PHE A 25 11.169 1.480 -5.956 1.00 0.00 H new ATOM 0 HD2 PHE A 25 11.541 1.054 -1.685 1.00 0.00 H new ATOM 0 HE1 PHE A 25 10.578 -0.928 -6.137 1.00 0.00 H new ATOM 0 HE2 PHE A 25 11.318 -1.412 -1.925 1.00 0.00 H new ATOM 0 HZ PHE A 25 10.716 -2.389 -4.131 1.00 0.00 H new ATOM 401 N HIS A 26 10.392 5.337 -1.961 1.00 0.00 N ATOM 402 CA HIS A 26 10.831 6.459 -1.147 1.00 0.00 C ATOM 403 C HIS A 26 12.174 6.080 -0.531 1.00 0.00 C ATOM 404 O HIS A 26 12.452 4.901 -0.307 1.00 0.00 O ATOM 405 CB HIS A 26 9.842 6.770 -0.023 1.00 0.00 C ATOM 406 CG HIS A 26 8.486 7.230 -0.485 1.00 0.00 C ATOM 407 ND1 HIS A 26 7.337 6.441 -0.520 1.00 0.00 N ATOM 408 CD2 HIS A 26 8.176 8.507 -0.848 1.00 0.00 C ATOM 409 CE1 HIS A 26 6.353 7.272 -0.901 1.00 0.00 C ATOM 410 NE2 HIS A 26 6.830 8.509 -1.123 1.00 0.00 N ATOM 0 H HIS A 26 9.777 4.682 -1.478 1.00 0.00 H new ATOM 0 HA HIS A 26 10.905 7.346 -1.776 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.718 5.877 0.590 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.272 7.540 0.618 1.00 0.00 H new ATOM 0 HD2 HIS A 26 8.852 9.347 -0.907 1.00 0.00 H new ATOM 0 HE1 HIS A 26 5.318 6.985 -1.014 1.00 0.00 H new ATOM 0 HE2 HIS A 26 6.286 9.311 -1.441 1.00 0.00 H new ATOM 418 N LEU A 27 12.994 7.090 -0.226 1.00 0.00 N ATOM 419 CA LEU A 27 14.203 6.910 0.563 1.00 0.00 C ATOM 420 C LEU A 27 13.860 6.261 1.906 1.00 0.00 C ATOM 421 O LEU A 27 14.567 5.363 2.354 1.00 0.00 O ATOM 422 CB LEU A 27 14.890 8.261 0.783 1.00 0.00 C ATOM 423 CG LEU A 27 15.259 9.004 -0.510 1.00 0.00 C ATOM 424 CD1 LEU A 27 15.699 10.433 -0.168 1.00 0.00 C ATOM 425 CD2 LEU A 27 16.383 8.301 -1.276 1.00 0.00 C ATOM 0 H LEU A 27 12.833 8.053 -0.522 1.00 0.00 H new ATOM 0 HA LEU A 27 14.886 6.254 0.023 1.00 0.00 H new ATOM 0 HB2 LEU A 27 14.233 8.896 1.378 1.00 0.00 H new ATOM 0 HB3 LEU A 27 15.796 8.103 1.368 1.00 0.00 H new ATOM 0 HG LEU A 27 14.376 9.017 -1.148 1.00 0.00 H new ATOM 0 HD11 LEU A 27 15.961 10.962 -1.084 1.00 0.00 H new ATOM 0 HD12 LEU A 27 14.883 10.955 0.332 1.00 0.00 H new ATOM 0 HD13 LEU A 27 16.566 10.399 0.492 1.00 0.00 H new ATOM 0 HD21 LEU A 27 16.611 8.861 -2.183 1.00 0.00 H new ATOM 0 HD22 LEU A 27 17.273 8.248 -0.649 1.00 0.00 H new ATOM 0 HD23 LEU A 27 16.066 7.293 -1.542 1.00 0.00 H new ATOM 437 N PHE A 28 12.747 6.698 2.510 1.00 0.00 N ATOM 438 CA PHE A 28 12.138 6.118 3.701 1.00 0.00 C ATOM 439 C PHE A 28 12.041 4.593 3.598 1.00 0.00 C ATOM 440 O PHE A 28 12.498 3.880 4.490 1.00 0.00 O ATOM 441 CB PHE A 28 10.745 6.731 3.916 1.00 0.00 C ATOM 442 CG PHE A 28 10.644 8.236 3.711 1.00 0.00 C ATOM 443 CD1 PHE A 28 11.658 9.094 4.182 1.00 0.00 C ATOM 444 CD2 PHE A 28 9.582 8.768 2.953 1.00 0.00 C ATOM 445 CE1 PHE A 28 11.645 10.457 3.838 1.00 0.00 C ATOM 446 CE2 PHE A 28 9.575 10.128 2.603 1.00 0.00 C ATOM 447 CZ PHE A 28 10.612 10.972 3.037 1.00 0.00 C ATOM 0 H PHE A 28 12.227 7.503 2.161 1.00 0.00 H new ATOM 0 HA PHE A 28 12.773 6.347 4.557 1.00 0.00 H new ATOM 0 HB2 PHE A 28 10.046 6.243 3.237 1.00 0.00 H new ATOM 0 HB3 PHE A 28 10.419 6.499 4.930 1.00 0.00 H new ATOM 0 HD1 PHE A 28 12.446 8.704 4.808 1.00 0.00 H new ATOM 0 HD2 PHE A 28 8.771 8.128 2.640 1.00 0.00 H new ATOM 0 HE1 PHE A 28 12.430 11.109 4.190 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.772 10.526 2.000 1.00 0.00 H new ATOM 0 HZ PHE A 28 10.615 12.015 2.755 1.00 0.00 H new ATOM 457 N CYS A 29 11.434 4.104 2.508 1.00 0.00 N ATOM 458 CA CYS A 29 11.072 2.703 2.340 1.00 0.00 C ATOM 459 C CYS A 29 12.322 1.839 2.161 1.00 0.00 C ATOM 460 O CYS A 29 12.326 0.684 2.581 1.00 0.00 O ATOM 461 CB CYS A 29 10.102 2.549 1.163 1.00 0.00 C ATOM 462 SG CYS A 29 8.576 3.513 1.329 1.00 0.00 S ATOM 0 H CYS A 29 11.180 4.686 1.710 1.00 0.00 H new ATOM 0 HA CYS A 29 10.566 2.356 3.241 1.00 0.00 H new ATOM 0 HB2 CYS A 29 10.610 2.848 0.246 1.00 0.00 H new ATOM 0 HB3 CYS A 29 9.843 1.496 1.055 1.00 0.00 H new ATOM 0 HG CYS A 29 7.961 3.553 0.184 1.00 0.00 H new ATOM 467 N LEU A 30 13.380 2.393 1.551 1.00 0.00 N ATOM 468 CA LEU A 30 14.685 1.750 1.526 1.00 0.00 C ATOM 469 C LEU A 30 15.286 1.744 2.932 1.00 0.00 C ATOM 470 O LEU A 30 15.433 0.682 3.533 1.00 0.00 O ATOM 471 CB LEU A 30 15.619 2.435 0.518 1.00 0.00 C ATOM 472 CG LEU A 30 15.113 2.425 -0.930 1.00 0.00 C ATOM 473 CD1 LEU A 30 16.224 2.962 -1.837 1.00 0.00 C ATOM 474 CD2 LEU A 30 14.724 1.021 -1.400 1.00 0.00 C ATOM 0 H LEU A 30 13.348 3.291 1.068 1.00 0.00 H new ATOM 0 HA LEU A 30 14.563 0.717 1.199 1.00 0.00 H new ATOM 0 HB2 LEU A 30 15.772 3.469 0.828 1.00 0.00 H new ATOM 0 HB3 LEU A 30 16.592 1.945 0.553 1.00 0.00 H new ATOM 0 HG LEU A 30 14.221 3.049 -0.980 1.00 0.00 H new ATOM 0 HD11 LEU A 30 15.881 2.962 -2.872 1.00 0.00 H new ATOM 0 HD12 LEU A 30 16.477 3.979 -1.539 1.00 0.00 H new ATOM 0 HD13 LEU A 30 17.106 2.327 -1.747 1.00 0.00 H new ATOM 0 HD21 LEU A 30 14.372 1.067 -2.431 1.00 0.00 H new ATOM 0 HD22 LEU A 30 15.592 0.364 -1.342 1.00 0.00 H new ATOM 0 HD23 LEU A 30 13.930 0.631 -0.763 1.00 0.00 H new ATOM 486 N ARG A 31 15.645 2.930 3.434 1.00 0.00 N ATOM 487 CA ARG A 31 16.037 3.180 4.814 1.00 0.00 C ATOM 488 C ARG A 31 16.141 4.694 5.043 1.00 0.00 C ATOM 489 O ARG A 31 16.768 5.381 4.238 1.00 0.00 O ATOM 490 CB ARG A 31 17.363 2.475 5.152 1.00 0.00 C ATOM 491 CG ARG A 31 18.524 2.891 4.233 1.00 0.00 C ATOM 492 CD ARG A 31 19.627 1.828 4.211 1.00 0.00 C ATOM 493 NE ARG A 31 19.152 0.567 3.619 1.00 0.00 N ATOM 494 CZ ARG A 31 18.934 0.348 2.310 1.00 0.00 C ATOM 495 NH1 ARG A 31 19.233 1.280 1.394 1.00 0.00 N ATOM 496 NH2 ARG A 31 18.411 -0.820 1.914 1.00 0.00 N ATOM 0 H ARG A 31 15.669 3.774 2.861 1.00 0.00 H new ATOM 0 HA ARG A 31 15.278 2.770 5.480 1.00 0.00 H new ATOM 0 HB2 ARG A 31 17.630 2.695 6.186 1.00 0.00 H new ATOM 0 HB3 ARG A 31 17.221 1.397 5.082 1.00 0.00 H new ATOM 0 HG2 ARG A 31 18.150 3.051 3.222 1.00 0.00 H new ATOM 0 HG3 ARG A 31 18.938 3.840 4.574 1.00 0.00 H new ATOM 0 HD2 ARG A 31 20.480 2.199 3.642 1.00 0.00 H new ATOM 0 HD3 ARG A 31 19.977 1.645 5.227 1.00 0.00 H new ATOM 0 HE ARG A 31 18.973 -0.208 4.257 1.00 0.00 H new ATOM 0 HH11 ARG A 31 19.632 2.172 1.686 1.00 0.00 H new ATOM 0 HH12 ARG A 31 19.061 1.097 0.405 1.00 0.00 H new ATOM 0 HH21 ARG A 31 18.181 -1.536 2.603 1.00 0.00 H new ATOM 0 HH22 ARG A 31 18.243 -0.994 0.923 1.00 0.00 H new ATOM 510 N PRO A 32 15.563 5.228 6.132 1.00 0.00 N ATOM 511 CA PRO A 32 15.437 6.664 6.363 1.00 0.00 C ATOM 512 C PRO A 32 16.798 7.353 6.535 1.00 0.00 C ATOM 513 O PRO A 32 16.890 8.565 6.348 1.00 0.00 O ATOM 514 CB PRO A 32 14.590 6.788 7.631 1.00 0.00 C ATOM 515 CG PRO A 32 14.962 5.530 8.414 1.00 0.00 C ATOM 516 CD PRO A 32 15.130 4.488 7.308 1.00 0.00 C ATOM 0 HA PRO A 32 14.979 7.160 5.507 1.00 0.00 H new ATOM 0 HB2 PRO A 32 14.826 7.695 8.188 1.00 0.00 H new ATOM 0 HB3 PRO A 32 13.525 6.822 7.403 1.00 0.00 H new ATOM 0 HG2 PRO A 32 15.880 5.665 8.987 1.00 0.00 H new ATOM 0 HG3 PRO A 32 14.183 5.248 9.122 1.00 0.00 H new ATOM 0 HD2 PRO A 32 15.865 3.734 7.589 1.00 0.00 H new ATOM 0 HD3 PRO A 32 14.193 3.964 7.118 1.00 0.00 H new ATOM 524 N ALA A 33 17.849 6.589 6.870 1.00 0.00 N ATOM 525 CA ALA A 33 19.236 7.038 6.867 1.00 0.00 C ATOM 526 C ALA A 33 19.632 7.734 5.561 1.00 0.00 C ATOM 527 O ALA A 33 20.461 8.641 5.580 1.00 0.00 O ATOM 528 CB ALA A 33 20.158 5.850 7.151 1.00 0.00 C ATOM 0 H ALA A 33 17.747 5.616 7.157 1.00 0.00 H new ATOM 0 HA ALA A 33 19.343 7.784 7.654 1.00 0.00 H new ATOM 0 HB1 ALA A 33 21.195 6.186 7.149 1.00 0.00 H new ATOM 0 HB2 ALA A 33 19.916 5.426 8.126 1.00 0.00 H new ATOM 0 HB3 ALA A 33 20.021 5.091 6.381 1.00 0.00 H new ATOM 534 N LEU A 34 19.058 7.302 4.431 1.00 0.00 N ATOM 535 CA LEU A 34 19.171 8.011 3.165 1.00 0.00 C ATOM 536 C LEU A 34 18.360 9.306 3.260 1.00 0.00 C ATOM 537 O LEU A 34 17.176 9.332 2.934 1.00 0.00 O ATOM 538 CB LEU A 34 18.672 7.130 2.009 1.00 0.00 C ATOM 539 CG LEU A 34 19.475 5.836 1.798 1.00 0.00 C ATOM 540 CD1 LEU A 34 18.789 5.010 0.705 1.00 0.00 C ATOM 541 CD2 LEU A 34 20.929 6.114 1.394 1.00 0.00 C ATOM 0 H LEU A 34 18.502 6.448 4.376 1.00 0.00 H new ATOM 0 HA LEU A 34 20.215 8.251 2.964 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.630 6.869 2.192 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.698 7.713 1.088 1.00 0.00 H new ATOM 0 HG LEU A 34 19.500 5.292 2.742 1.00 0.00 H new ATOM 0 HD11 LEU A 34 19.346 4.087 0.542 1.00 0.00 H new ATOM 0 HD12 LEU A 34 17.772 4.770 1.015 1.00 0.00 H new ATOM 0 HD13 LEU A 34 18.760 5.584 -0.221 1.00 0.00 H new ATOM 0 HD21 LEU A 34 21.455 5.169 1.257 1.00 0.00 H new ATOM 0 HD22 LEU A 34 20.946 6.678 0.461 1.00 0.00 H new ATOM 0 HD23 LEU A 34 21.420 6.692 2.177 1.00 0.00 H new ATOM 553 N TYR A 35 19.003 10.385 3.713 1.00 0.00 N ATOM 554 CA TYR A 35 18.380 11.697 3.822 1.00 0.00 C ATOM 555 C TYR A 35 18.215 12.330 2.439 1.00 0.00 C ATOM 556 O TYR A 35 17.164 12.895 2.137 1.00 0.00 O ATOM 557 CB TYR A 35 19.208 12.583 4.761 1.00 0.00 C ATOM 558 CG TYR A 35 19.528 11.930 6.096 1.00 0.00 C ATOM 559 CD1 TYR A 35 18.487 11.444 6.911 1.00 0.00 C ATOM 560 CD2 TYR A 35 20.867 11.712 6.475 1.00 0.00 C ATOM 561 CE1 TYR A 35 18.783 10.727 8.083 1.00 0.00 C ATOM 562 CE2 TYR A 35 21.163 11.007 7.656 1.00 0.00 C ATOM 563 CZ TYR A 35 20.120 10.501 8.451 1.00 0.00 C ATOM 564 OH TYR A 35 20.402 9.780 9.575 1.00 0.00 O ATOM 0 H TYR A 35 19.977 10.368 4.015 1.00 0.00 H new ATOM 0 HA TYR A 35 17.382 11.592 4.248 1.00 0.00 H new ATOM 0 HB2 TYR A 35 20.141 12.850 4.265 1.00 0.00 H new ATOM 0 HB3 TYR A 35 18.666 13.511 4.942 1.00 0.00 H new ATOM 0 HD1 TYR A 35 17.458 11.623 6.634 1.00 0.00 H new ATOM 0 HD2 TYR A 35 21.669 12.087 5.857 1.00 0.00 H new ATOM 0 HE1 TYR A 35 17.982 10.349 8.701 1.00 0.00 H new ATOM 0 HE2 TYR A 35 22.191 10.855 7.951 1.00 0.00 H new ATOM 0 HH TYR A 35 21.373 9.715 9.687 1.00 0.00 H new ATOM 574 N GLU A 36 19.258 12.213 1.609 1.00 0.00 N ATOM 575 CA GLU A 36 19.261 12.595 0.204 1.00 0.00 C ATOM 576 C GLU A 36 19.361 11.353 -0.686 1.00 0.00 C ATOM 577 O GLU A 36 19.533 10.237 -0.196 1.00 0.00 O ATOM 578 CB GLU A 36 20.429 13.558 -0.064 1.00 0.00 C ATOM 579 CG GLU A 36 20.428 14.780 0.866 1.00 0.00 C ATOM 580 CD GLU A 36 19.094 15.522 0.854 1.00 0.00 C ATOM 581 OE1 GLU A 36 18.565 15.743 -0.258 1.00 0.00 O ATOM 582 OE2 GLU A 36 18.597 15.828 1.960 1.00 0.00 O ATOM 0 H GLU A 36 20.154 11.835 1.916 1.00 0.00 H new ATOM 0 HA GLU A 36 18.326 13.103 -0.034 1.00 0.00 H new ATOM 0 HB2 GLU A 36 21.370 13.020 0.054 1.00 0.00 H new ATOM 0 HB3 GLU A 36 20.383 13.897 -1.099 1.00 0.00 H new ATOM 0 HG2 GLU A 36 20.652 14.459 1.883 1.00 0.00 H new ATOM 0 HG3 GLU A 36 21.223 15.463 0.565 1.00 0.00 H new ATOM 589 N VAL A 37 19.234 11.562 -2.001 1.00 0.00 N ATOM 590 CA VAL A 37 19.099 10.499 -2.986 1.00 0.00 C ATOM 591 C VAL A 37 20.491 9.959 -3.342 1.00 0.00 C ATOM 592 O VAL A 37 21.388 10.756 -3.615 1.00 0.00 O ATOM 593 CB VAL A 37 18.374 11.036 -4.235 1.00 0.00 C ATOM 594 CG1 VAL A 37 18.186 9.933 -5.285 1.00 0.00 C ATOM 595 CG2 VAL A 37 16.994 11.615 -3.893 1.00 0.00 C ATOM 0 H VAL A 37 19.223 12.496 -2.412 1.00 0.00 H new ATOM 0 HA VAL A 37 18.505 9.683 -2.575 1.00 0.00 H new ATOM 0 HB VAL A 37 19.006 11.828 -4.636 1.00 0.00 H new ATOM 0 HG11 VAL A 37 17.672 10.342 -6.155 1.00 0.00 H new ATOM 0 HG12 VAL A 37 19.160 9.549 -5.587 1.00 0.00 H new ATOM 0 HG13 VAL A 37 17.592 9.124 -4.860 1.00 0.00 H new ATOM 0 HG21 VAL A 37 16.518 11.982 -4.802 1.00 0.00 H new ATOM 0 HG22 VAL A 37 16.374 10.838 -3.447 1.00 0.00 H new ATOM 0 HG23 VAL A 37 17.109 12.437 -3.186 1.00 0.00 H new ATOM 605 N PRO A 38 20.697 8.629 -3.347 1.00 0.00 N ATOM 606 CA PRO A 38 21.908 8.033 -3.888 1.00 0.00 C ATOM 607 C PRO A 38 21.716 7.828 -5.388 1.00 0.00 C ATOM 608 O PRO A 38 21.356 6.737 -5.831 1.00 0.00 O ATOM 609 CB PRO A 38 22.102 6.719 -3.125 1.00 0.00 C ATOM 610 CG PRO A 38 20.672 6.307 -2.788 1.00 0.00 C ATOM 611 CD PRO A 38 19.969 7.647 -2.556 1.00 0.00 C ATOM 0 HA PRO A 38 22.796 8.654 -3.768 1.00 0.00 H new ATOM 0 HB2 PRO A 38 22.606 5.969 -3.734 1.00 0.00 H new ATOM 0 HB3 PRO A 38 22.705 6.858 -2.227 1.00 0.00 H new ATOM 0 HG2 PRO A 38 20.212 5.746 -3.602 1.00 0.00 H new ATOM 0 HG3 PRO A 38 20.633 5.673 -1.902 1.00 0.00 H new ATOM 0 HD2 PRO A 38 18.924 7.597 -2.863 1.00 0.00 H new ATOM 0 HD3 PRO A 38 19.978 7.914 -1.499 1.00 0.00 H new ATOM 619 N ASP A 39 21.973 8.885 -6.169 1.00 0.00 N ATOM 620 CA ASP A 39 22.052 8.828 -7.624 1.00 0.00 C ATOM 621 C ASP A 39 23.351 8.135 -8.050 1.00 0.00 C ATOM 622 O ASP A 39 24.236 8.743 -8.648 1.00 0.00 O ATOM 623 CB ASP A 39 21.914 10.241 -8.206 1.00 0.00 C ATOM 624 CG ASP A 39 20.560 10.852 -7.855 1.00 0.00 C ATOM 625 OD1 ASP A 39 19.566 10.439 -8.491 1.00 0.00 O ATOM 626 OD2 ASP A 39 20.541 11.708 -6.945 1.00 0.00 O ATOM 0 H ASP A 39 22.134 9.820 -5.794 1.00 0.00 H new ATOM 0 HA ASP A 39 21.229 8.234 -8.022 1.00 0.00 H new ATOM 0 HB2 ASP A 39 22.713 10.875 -7.822 1.00 0.00 H new ATOM 0 HB3 ASP A 39 22.030 10.204 -9.289 1.00 0.00 H new ATOM 631 N GLY A 40 23.441 6.843 -7.726 1.00 0.00 N ATOM 632 CA GLY A 40 24.563 5.965 -7.999 1.00 0.00 C ATOM 633 C GLY A 40 24.059 4.538 -7.819 1.00 0.00 C ATOM 634 O GLY A 40 23.942 3.791 -8.789 1.00 0.00 O ATOM 0 H GLY A 40 22.685 6.362 -7.238 1.00 0.00 H new ATOM 0 HA2 GLY A 40 24.936 6.118 -9.011 1.00 0.00 H new ATOM 0 HA3 GLY A 40 25.390 6.172 -7.320 1.00 0.00 H new ATOM 638 N GLU A 41 23.712 4.188 -6.575 1.00 0.00 N ATOM 639 CA GLU A 41 23.001 2.961 -6.242 1.00 0.00 C ATOM 640 C GLU A 41 21.500 3.223 -6.404 1.00 0.00 C ATOM 641 O GLU A 41 20.715 2.992 -5.484 1.00 0.00 O ATOM 642 CB GLU A 41 23.350 2.539 -4.807 1.00 0.00 C ATOM 643 CG GLU A 41 24.851 2.289 -4.627 1.00 0.00 C ATOM 644 CD GLU A 41 25.160 1.832 -3.205 1.00 0.00 C ATOM 645 OE1 GLU A 41 25.042 2.685 -2.299 1.00 0.00 O ATOM 646 OE2 GLU A 41 25.501 0.639 -3.047 1.00 0.00 O ATOM 0 H GLU A 41 23.924 4.764 -5.761 1.00 0.00 H new ATOM 0 HA GLU A 41 23.293 2.146 -6.904 1.00 0.00 H new ATOM 0 HB2 GLU A 41 23.027 3.315 -4.113 1.00 0.00 H new ATOM 0 HB3 GLU A 41 22.799 1.634 -4.552 1.00 0.00 H new ATOM 0 HG2 GLU A 41 25.185 1.533 -5.337 1.00 0.00 H new ATOM 0 HG3 GLU A 41 25.405 3.201 -4.849 1.00 0.00 H new ATOM 653 N TRP A 42 21.103 3.718 -7.584 1.00 0.00 N ATOM 654 CA TRP A 42 19.767 4.234 -7.835 1.00 0.00 C ATOM 655 C TRP A 42 18.854 3.099 -8.305 1.00 0.00 C ATOM 656 O TRP A 42 18.381 3.100 -9.440 1.00 0.00 O ATOM 657 CB TRP A 42 19.858 5.412 -8.819 1.00 0.00 C ATOM 658 CG TRP A 42 18.730 6.402 -8.767 1.00 0.00 C ATOM 659 CD1 TRP A 42 18.431 7.181 -7.703 1.00 0.00 C ATOM 660 CD2 TRP A 42 17.787 6.790 -9.813 1.00 0.00 C ATOM 661 NE1 TRP A 42 17.366 8.001 -8.005 1.00 0.00 N ATOM 662 CE2 TRP A 42 16.935 7.813 -9.299 1.00 0.00 C ATOM 663 CE3 TRP A 42 17.570 6.396 -11.151 1.00 0.00 C ATOM 664 CZ2 TRP A 42 15.929 8.414 -10.070 1.00 0.00 C ATOM 665 CZ3 TRP A 42 16.565 6.991 -11.935 1.00 0.00 C ATOM 666 CH2 TRP A 42 15.758 8.011 -11.404 1.00 0.00 C ATOM 0 H TRP A 42 21.716 3.768 -8.398 1.00 0.00 H new ATOM 0 HA TRP A 42 19.317 4.624 -6.922 1.00 0.00 H new ATOM 0 HB2 TRP A 42 20.791 5.944 -8.633 1.00 0.00 H new ATOM 0 HB3 TRP A 42 19.917 5.011 -9.831 1.00 0.00 H new ATOM 0 HD1 TRP A 42 18.950 7.163 -6.756 1.00 0.00 H new ATOM 0 HE1 TRP A 42 16.949 8.664 -7.352 1.00 0.00 H new ATOM 0 HE3 TRP A 42 18.188 5.622 -11.581 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 15.294 9.177 -9.643 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 16.413 6.661 -12.952 1.00 0.00 H new ATOM 0 HH2 TRP A 42 15.008 8.484 -12.020 1.00 0.00 H new ATOM 677 N GLN A 43 18.635 2.118 -7.418 1.00 0.00 N ATOM 678 CA GLN A 43 17.972 0.852 -7.711 1.00 0.00 C ATOM 679 C GLN A 43 16.956 0.518 -6.614 1.00 0.00 C ATOM 680 O GLN A 43 16.796 1.287 -5.666 1.00 0.00 O ATOM 681 CB GLN A 43 19.011 -0.263 -7.908 1.00 0.00 C ATOM 682 CG GLN A 43 19.728 -0.658 -6.607 1.00 0.00 C ATOM 683 CD GLN A 43 20.869 -1.658 -6.814 1.00 0.00 C ATOM 684 OE1 GLN A 43 21.801 -1.688 -6.015 1.00 0.00 O ATOM 685 NE2 GLN A 43 20.808 -2.497 -7.852 1.00 0.00 N ATOM 0 H GLN A 43 18.927 2.193 -6.444 1.00 0.00 H new ATOM 0 HA GLN A 43 17.418 0.942 -8.646 1.00 0.00 H new ATOM 0 HB2 GLN A 43 18.518 -1.141 -8.325 1.00 0.00 H new ATOM 0 HB3 GLN A 43 19.751 0.064 -8.639 1.00 0.00 H new ATOM 0 HG2 GLN A 43 20.125 0.240 -6.134 1.00 0.00 H new ATOM 0 HG3 GLN A 43 19.001 -1.087 -5.917 1.00 0.00 H new ATOM 0 HE21 GLN A 43 20.022 -2.450 -8.500 1.00 0.00 H new ATOM 0 HE22 GLN A 43 21.547 -3.185 -7.996 1.00 0.00 H new ATOM 694 N CYS A 44 16.271 -0.628 -6.749 1.00 0.00 N ATOM 695 CA CYS A 44 15.326 -1.140 -5.762 1.00 0.00 C ATOM 696 C CYS A 44 15.776 -2.503 -5.209 1.00 0.00 C ATOM 697 O CYS A 44 16.528 -3.221 -5.865 1.00 0.00 O ATOM 698 CB CYS A 44 13.930 -1.240 -6.380 1.00 0.00 C ATOM 699 SG CYS A 44 13.756 -2.347 -7.793 1.00 0.00 S ATOM 0 H CYS A 44 16.365 -1.232 -7.566 1.00 0.00 H new ATOM 0 HA CYS A 44 15.294 -0.443 -4.925 1.00 0.00 H new ATOM 0 HB2 CYS A 44 13.236 -1.564 -5.605 1.00 0.00 H new ATOM 0 HB3 CYS A 44 13.620 -0.241 -6.688 1.00 0.00 H new ATOM 0 HG CYS A 44 14.286 -1.795 -8.844 1.00 0.00 H new ATOM 704 N PRO A 45 15.294 -2.873 -4.009 1.00 0.00 N ATOM 705 CA PRO A 45 15.437 -4.203 -3.433 1.00 0.00 C ATOM 706 C PRO A 45 14.906 -5.358 -4.284 1.00 0.00 C ATOM 707 O PRO A 45 15.309 -6.498 -4.063 1.00 0.00 O ATOM 708 CB PRO A 45 14.723 -4.138 -2.085 1.00 0.00 C ATOM 709 CG PRO A 45 15.028 -2.713 -1.635 1.00 0.00 C ATOM 710 CD PRO A 45 14.991 -1.927 -2.947 1.00 0.00 C ATOM 0 HA PRO A 45 16.499 -4.436 -3.353 1.00 0.00 H new ATOM 0 HB2 PRO A 45 13.652 -4.315 -2.181 1.00 0.00 H new ATOM 0 HB3 PRO A 45 15.107 -4.879 -1.383 1.00 0.00 H new ATOM 0 HG2 PRO A 45 14.288 -2.347 -0.923 1.00 0.00 H new ATOM 0 HG3 PRO A 45 16.001 -2.642 -1.148 1.00 0.00 H new ATOM 0 HD2 PRO A 45 14.011 -1.474 -3.100 1.00 0.00 H new ATOM 0 HD3 PRO A 45 15.718 -1.115 -2.933 1.00 0.00 H new ATOM 718 N ALA A 46 13.996 -5.098 -5.233 1.00 0.00 N ATOM 719 CA ALA A 46 13.491 -6.137 -6.118 1.00 0.00 C ATOM 720 C ALA A 46 14.600 -6.624 -7.051 1.00 0.00 C ATOM 721 O ALA A 46 14.600 -7.791 -7.438 1.00 0.00 O ATOM 722 CB ALA A 46 12.278 -5.634 -6.904 1.00 0.00 C ATOM 0 H ALA A 46 13.599 -4.174 -5.401 1.00 0.00 H new ATOM 0 HA ALA A 46 13.164 -6.984 -5.515 1.00 0.00 H new ATOM 0 HB1 ALA A 46 11.916 -6.426 -7.560 1.00 0.00 H new ATOM 0 HB2 ALA A 46 11.488 -5.348 -6.210 1.00 0.00 H new ATOM 0 HB3 ALA A 46 12.565 -4.770 -7.503 1.00 0.00 H new ATOM 728 N CYS A 47 15.549 -5.742 -7.396 1.00 0.00 N ATOM 729 CA CYS A 47 16.758 -6.130 -8.091 1.00 0.00 C ATOM 730 C CYS A 47 17.686 -6.890 -7.143 1.00 0.00 C ATOM 731 O CYS A 47 18.047 -8.032 -7.418 1.00 0.00 O ATOM 732 CB CYS A 47 17.446 -4.899 -8.678 1.00 0.00 C ATOM 733 SG CYS A 47 16.416 -3.899 -9.776 1.00 0.00 S ATOM 0 H CYS A 47 15.489 -4.744 -7.196 1.00 0.00 H new ATOM 0 HA CYS A 47 16.502 -6.795 -8.916 1.00 0.00 H new ATOM 0 HB2 CYS A 47 17.794 -4.270 -7.858 1.00 0.00 H new ATOM 0 HB3 CYS A 47 18.329 -5.223 -9.228 1.00 0.00 H new ATOM 0 HG CYS A 47 15.451 -3.358 -9.093 1.00 0.00 H new ATOM 738 N GLN A 48 18.069 -6.244 -6.033 1.00 0.00 N ATOM 739 CA GLN A 48 19.098 -6.716 -5.119 1.00 0.00 C ATOM 740 C GLN A 48 18.567 -6.610 -3.686 1.00 0.00 C ATOM 741 O GLN A 48 18.715 -5.559 -3.065 1.00 0.00 O ATOM 742 CB GLN A 48 20.383 -5.900 -5.328 1.00 0.00 C ATOM 743 CG GLN A 48 21.511 -6.266 -4.350 1.00 0.00 C ATOM 744 CD GLN A 48 21.829 -7.760 -4.347 1.00 0.00 C ATOM 745 OE1 GLN A 48 22.520 -8.249 -5.238 1.00 0.00 O ATOM 746 NE2 GLN A 48 21.333 -8.494 -3.348 1.00 0.00 N ATOM 0 H GLN A 48 17.656 -5.357 -5.746 1.00 0.00 H new ATOM 0 HA GLN A 48 19.344 -7.760 -5.312 1.00 0.00 H new ATOM 0 HB2 GLN A 48 20.736 -6.049 -6.348 1.00 0.00 H new ATOM 0 HB3 GLN A 48 20.152 -4.840 -5.222 1.00 0.00 H new ATOM 0 HG2 GLN A 48 22.410 -5.708 -4.614 1.00 0.00 H new ATOM 0 HG3 GLN A 48 21.228 -5.957 -3.344 1.00 0.00 H new ATOM 0 HE21 GLN A 48 20.763 -8.054 -2.626 1.00 0.00 H new ATOM 0 HE22 GLN A 48 21.524 -9.495 -3.307 1.00 0.00 H new