USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 638 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 30 CYS SG : rot 180:sc= -0.973 USER MOD Set 1.2: A 79 CYS SG : rot 114:sc= 0.00996 USER MOD Set 2.1: A 42 LYS NZ :NH3+ 178:sc= 0.0696 (180deg=0.0578) USER MOD Set 2.2: A 77 TYR OH : rot -17:sc= 1.03 USER MOD Set 3.1: A 57 GLN : amide:sc= -0.872 K(o=-1.6,f=-2.1!) USER MOD Set 3.2: A 62 CYS SG : rot 120:sc= -0.707 USER MOD Set 4.1: A 41 LYS NZ :NH3+ -143:sc= 0.735 (180deg=-0.0599) USER MOD Set 4.2: A 80 MET CE :methyl 178:sc= -2.49 (180deg=-2.52) USER MOD Set 5.1: A 18 LYS NZ :NH3+ -123:sc= -0.0922 (180deg=-1.03) USER MOD Set 5.2: A 27 THR OG1 : rot 180:sc= 0.00584 USER MOD Single : A 12 THR OG1 : rot 128:sc= 0.00409 USER MOD Single : A 13 GLN : amide:sc= -0.089 K(o=-0.089,f=-1.5!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -110:sc= -0.792 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.408 K(o=-0.41,f=-1) USER MOD Single : A 33 SER OG : rot -160:sc= -1.26 USER MOD Single : A 34 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.547) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 11:sc= 0.55 USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot 28:sc= 0.586 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 CYS SG : rot -90:sc= -6.46! USER MOD Single : A 83 GLN : amide:sc= -0.543 K(o=-0.54,f=-1.5) USER MOD Single : A 86 THR OG1 : rot 70:sc= 0.369 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 10.789 23.890 -3.178 1.00 0.00 N ATOM 81 CA ALA A 9 10.454 23.349 -1.867 1.00 0.00 C ATOM 82 C ALA A 9 11.418 22.237 -1.469 1.00 0.00 C ATOM 83 O ALA A 9 11.795 21.404 -2.293 1.00 0.00 O ATOM 84 CB ALA A 9 9.022 22.837 -1.857 1.00 0.00 C ATOM 0 HA ALA A 9 10.546 24.152 -1.136 1.00 0.00 H new ATOM 0 HB1 ALA A 9 8.786 22.436 -0.871 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.341 23.656 -2.088 1.00 0.00 H new ATOM 0 HB3 ALA A 9 8.911 22.051 -2.604 1.00 0.00 H new ATOM 90 N ARG A 10 11.815 22.230 -0.200 1.00 0.00 N ATOM 91 CA ARG A 10 12.737 21.220 0.306 1.00 0.00 C ATOM 92 C ARG A 10 12.064 20.350 1.364 1.00 0.00 C ATOM 93 O ARG A 10 11.049 20.735 1.945 1.00 0.00 O ATOM 94 CB ARG A 10 13.982 21.886 0.896 1.00 0.00 C ATOM 95 CG ARG A 10 13.703 22.692 2.154 1.00 0.00 C ATOM 96 CD ARG A 10 13.841 21.839 3.405 1.00 0.00 C ATOM 97 NE ARG A 10 15.157 21.213 3.498 1.00 0.00 N ATOM 98 CZ ARG A 10 16.274 21.885 3.754 1.00 0.00 C ATOM 99 NH1 ARG A 10 16.234 23.197 3.940 1.00 0.00 N ATOM 100 NH2 ARG A 10 17.434 21.244 3.823 1.00 0.00 N ATOM 0 H ARG A 10 11.513 22.912 0.496 1.00 0.00 H new ATOM 0 HA ARG A 10 13.033 20.584 -0.528 1.00 0.00 H new ATOM 0 HB2 ARG A 10 14.721 21.118 1.123 1.00 0.00 H new ATOM 0 HB3 ARG A 10 14.423 22.541 0.145 1.00 0.00 H new ATOM 0 HG2 ARG A 10 14.393 23.534 2.208 1.00 0.00 H new ATOM 0 HG3 ARG A 10 12.697 23.108 2.105 1.00 0.00 H new ATOM 0 HD2 ARG A 10 13.671 22.458 4.286 1.00 0.00 H new ATOM 0 HD3 ARG A 10 13.072 21.067 3.404 1.00 0.00 H new ATOM 0 HE ARG A 10 15.222 20.205 3.359 1.00 0.00 H new ATOM 0 HH11 ARG A 10 15.344 23.693 3.887 1.00 0.00 H new ATOM 0 HH12 ARG A 10 17.093 23.711 4.136 1.00 0.00 H new ATOM 0 HH21 ARG A 10 17.468 20.235 3.679 1.00 0.00 H new ATOM 0 HH22 ARG A 10 18.291 21.761 4.020 1.00 0.00 H new ATOM 114 N PHE A 11 12.635 19.175 1.607 1.00 0.00 N ATOM 115 CA PHE A 11 12.089 18.250 2.593 1.00 0.00 C ATOM 116 C PHE A 11 12.527 18.636 4.003 1.00 0.00 C ATOM 117 O PHE A 11 13.667 19.049 4.220 1.00 0.00 O ATOM 118 CB PHE A 11 12.535 16.819 2.282 1.00 0.00 C ATOM 119 CG PHE A 11 11.794 16.197 1.133 1.00 0.00 C ATOM 120 CD1 PHE A 11 10.479 15.786 1.281 1.00 0.00 C ATOM 121 CD2 PHE A 11 12.412 16.022 -0.094 1.00 0.00 C ATOM 122 CE1 PHE A 11 9.794 15.213 0.226 1.00 0.00 C ATOM 123 CE2 PHE A 11 11.732 15.451 -1.153 1.00 0.00 C ATOM 124 CZ PHE A 11 10.422 15.045 -0.993 1.00 0.00 C ATOM 0 H PHE A 11 13.475 18.841 1.135 1.00 0.00 H new ATOM 0 HA PHE A 11 11.002 18.304 2.542 1.00 0.00 H new ATOM 0 HB2 PHE A 11 13.602 16.820 2.058 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.396 16.202 3.170 1.00 0.00 H new ATOM 0 HD1 PHE A 11 9.983 15.915 2.232 1.00 0.00 H new ATOM 0 HD2 PHE A 11 13.437 16.335 -0.225 1.00 0.00 H new ATOM 0 HE1 PHE A 11 8.769 14.897 0.354 1.00 0.00 H new ATOM 0 HE2 PHE A 11 12.225 15.322 -2.105 1.00 0.00 H new ATOM 0 HZ PHE A 11 9.889 14.597 -1.819 1.00 0.00 H new ATOM 134 N THR A 12 11.614 18.499 4.958 1.00 0.00 N ATOM 135 CA THR A 12 11.904 18.835 6.347 1.00 0.00 C ATOM 136 C THR A 12 11.852 17.596 7.234 1.00 0.00 C ATOM 137 O THR A 12 12.401 17.588 8.335 1.00 0.00 O ATOM 138 CB THR A 12 10.914 19.883 6.890 1.00 0.00 C ATOM 139 OG1 THR A 12 9.595 19.329 6.944 1.00 0.00 O ATOM 140 CG2 THR A 12 10.911 21.128 6.016 1.00 0.00 C ATOM 0 H THR A 12 10.667 18.158 4.796 1.00 0.00 H new ATOM 0 HA THR A 12 12.911 19.252 6.368 1.00 0.00 H new ATOM 0 HB THR A 12 11.231 20.164 7.894 1.00 0.00 H new ATOM 0 HG1 THR A 12 9.223 19.458 7.841 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.205 21.854 6.419 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.910 21.564 6.000 1.00 0.00 H new ATOM 0 HG23 THR A 12 10.616 20.860 5.001 1.00 0.00 H new ATOM 148 N GLN A 13 11.190 16.552 6.747 1.00 0.00 N ATOM 149 CA GLN A 13 11.068 15.308 7.497 1.00 0.00 C ATOM 150 C GLN A 13 11.101 14.103 6.562 1.00 0.00 C ATOM 151 O GLN A 13 10.219 13.934 5.720 1.00 0.00 O ATOM 152 CB GLN A 13 9.771 15.303 8.309 1.00 0.00 C ATOM 153 CG GLN A 13 9.927 15.880 9.707 1.00 0.00 C ATOM 154 CD GLN A 13 10.345 14.839 10.726 1.00 0.00 C ATOM 155 OE1 GLN A 13 10.005 13.662 10.603 1.00 0.00 O ATOM 156 NE2 GLN A 13 11.088 15.267 11.740 1.00 0.00 N ATOM 0 H GLN A 13 10.730 16.543 5.837 1.00 0.00 H new ATOM 0 HA GLN A 13 11.916 15.239 8.179 1.00 0.00 H new ATOM 0 HB2 GLN A 13 9.013 15.874 7.772 1.00 0.00 H new ATOM 0 HB3 GLN A 13 9.404 14.279 8.386 1.00 0.00 H new ATOM 0 HG2 GLN A 13 10.668 16.679 9.685 1.00 0.00 H new ATOM 0 HG3 GLN A 13 8.983 16.329 10.018 1.00 0.00 H new ATOM 0 HE21 GLN A 13 11.347 16.252 11.803 1.00 0.00 H new ATOM 0 HE22 GLN A 13 11.400 14.611 12.456 1.00 0.00 H new ATOM 165 N ASP A 14 12.123 13.269 6.717 1.00 0.00 N ATOM 166 CA ASP A 14 12.270 12.079 5.887 1.00 0.00 C ATOM 167 C ASP A 14 10.923 11.397 5.671 1.00 0.00 C ATOM 168 O ASP A 14 9.986 11.588 6.447 1.00 0.00 O ATOM 169 CB ASP A 14 13.254 11.100 6.531 1.00 0.00 C ATOM 170 CG ASP A 14 13.999 10.268 5.506 1.00 0.00 C ATOM 171 OD1 ASP A 14 13.487 9.193 5.131 1.00 0.00 O ATOM 172 OD2 ASP A 14 15.093 10.692 5.080 1.00 0.00 O ATOM 0 H ASP A 14 12.862 13.395 7.409 1.00 0.00 H new ATOM 0 HA ASP A 14 12.660 12.389 4.917 1.00 0.00 H new ATOM 0 HB2 ASP A 14 13.972 11.656 7.135 1.00 0.00 H new ATOM 0 HB3 ASP A 14 12.713 10.438 7.208 1.00 0.00 H new ATOM 177 N LEU A 15 10.832 10.601 4.611 1.00 0.00 N ATOM 178 CA LEU A 15 9.599 9.890 4.291 1.00 0.00 C ATOM 179 C LEU A 15 9.202 8.951 5.425 1.00 0.00 C ATOM 180 O LEU A 15 10.015 8.625 6.290 1.00 0.00 O ATOM 181 CB LEU A 15 9.765 9.099 2.992 1.00 0.00 C ATOM 182 CG LEU A 15 8.518 8.977 2.117 1.00 0.00 C ATOM 183 CD1 LEU A 15 8.905 8.837 0.653 1.00 0.00 C ATOM 184 CD2 LEU A 15 7.668 7.795 2.561 1.00 0.00 C ATOM 0 H LEU A 15 11.598 10.432 3.959 1.00 0.00 H new ATOM 0 HA LEU A 15 8.807 10.627 4.161 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.553 9.568 2.403 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.108 8.095 3.243 1.00 0.00 H new ATOM 0 HG LEU A 15 7.928 9.886 2.230 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.004 8.751 0.045 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.471 9.714 0.341 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.517 7.945 0.522 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.784 7.724 1.927 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.250 6.877 2.478 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.360 7.937 3.597 1.00 0.00 H new ATOM 196 N LYS A 16 7.947 8.516 5.414 1.00 0.00 N ATOM 197 CA LYS A 16 7.441 7.610 6.439 1.00 0.00 C ATOM 198 C LYS A 16 6.692 6.440 5.810 1.00 0.00 C ATOM 199 O LYS A 16 6.144 6.557 4.713 1.00 0.00 O ATOM 200 CB LYS A 16 6.518 8.361 7.402 1.00 0.00 C ATOM 201 CG LYS A 16 5.692 7.447 8.290 1.00 0.00 C ATOM 202 CD LYS A 16 4.380 7.062 7.627 1.00 0.00 C ATOM 203 CE LYS A 16 3.917 5.682 8.067 1.00 0.00 C ATOM 204 NZ LYS A 16 3.150 5.735 9.342 1.00 0.00 N ATOM 0 H LYS A 16 7.261 8.776 4.706 1.00 0.00 H new ATOM 0 HA LYS A 16 8.293 7.217 6.993 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.119 9.018 8.030 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.847 8.998 6.826 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.263 6.547 8.519 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.489 7.945 9.238 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.616 7.799 7.874 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.500 7.078 6.544 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.295 5.242 7.287 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.782 5.031 8.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.852 4.775 9.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.751 6.132 10.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.310 6.336 9.217 1.00 0.00 H new ATOM 218 N THR A 17 6.672 5.310 6.511 1.00 0.00 N ATOM 219 CA THR A 17 5.990 4.119 6.021 1.00 0.00 C ATOM 220 C THR A 17 5.768 3.112 7.143 1.00 0.00 C ATOM 221 O THR A 17 6.287 3.273 8.248 1.00 0.00 O ATOM 222 CB THR A 17 6.786 3.442 4.889 1.00 0.00 C ATOM 223 OG1 THR A 17 6.284 2.120 4.660 1.00 0.00 O ATOM 224 CG2 THR A 17 8.266 3.376 5.233 1.00 0.00 C ATOM 0 H THR A 17 7.121 5.195 7.420 1.00 0.00 H new ATOM 0 HA THR A 17 5.025 4.444 5.633 1.00 0.00 H new ATOM 0 HB THR A 17 6.666 4.037 3.984 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.946 1.462 4.960 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.808 2.894 4.419 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.651 4.385 5.378 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.401 2.801 6.149 1.00 0.00 H new ATOM 232 N LYS A 18 4.995 2.071 6.854 1.00 0.00 N ATOM 233 CA LYS A 18 4.705 1.035 7.838 1.00 0.00 C ATOM 234 C LYS A 18 4.817 -0.353 7.216 1.00 0.00 C ATOM 235 O LYS A 18 5.119 -0.489 6.031 1.00 0.00 O ATOM 236 CB LYS A 18 3.304 1.233 8.420 1.00 0.00 C ATOM 237 CG LYS A 18 2.228 0.437 7.701 1.00 0.00 C ATOM 238 CD LYS A 18 2.064 0.894 6.262 1.00 0.00 C ATOM 239 CE LYS A 18 0.629 0.729 5.785 1.00 0.00 C ATOM 240 NZ LYS A 18 -0.304 1.632 6.513 1.00 0.00 N ATOM 0 H LYS A 18 4.557 1.922 5.945 1.00 0.00 H new ATOM 0 HA LYS A 18 5.439 1.115 8.640 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.313 0.948 9.472 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.049 2.292 8.379 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.484 -0.622 7.720 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.280 0.546 8.228 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.359 1.940 6.175 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.731 0.320 5.619 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.575 0.936 4.716 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.316 -0.306 5.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.052 1.068 6.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.220 2.159 7.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.733 2.301 5.843 1.00 0.00 H new ATOM 254 N GLU A 19 4.570 -1.380 8.023 1.00 0.00 N ATOM 255 CA GLU A 19 4.643 -2.758 7.550 1.00 0.00 C ATOM 256 C GLU A 19 3.249 -3.364 7.423 1.00 0.00 C ATOM 257 O GLU A 19 2.586 -3.636 8.424 1.00 0.00 O ATOM 258 CB GLU A 19 5.495 -3.602 8.500 1.00 0.00 C ATOM 259 CG GLU A 19 5.392 -5.097 8.243 1.00 0.00 C ATOM 260 CD GLU A 19 6.146 -5.918 9.272 1.00 0.00 C ATOM 261 OE1 GLU A 19 5.807 -5.822 10.470 1.00 0.00 O ATOM 262 OE2 GLU A 19 7.073 -6.656 8.879 1.00 0.00 O ATOM 0 H GLU A 19 4.318 -1.284 9.007 1.00 0.00 H new ATOM 0 HA GLU A 19 5.108 -2.753 6.564 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.537 -3.297 8.408 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.192 -3.396 9.527 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.342 -5.391 8.247 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.782 -5.319 7.250 1.00 0.00 H new ATOM 269 N ALA A 20 2.811 -3.573 6.186 1.00 0.00 N ATOM 270 CA ALA A 20 1.497 -4.148 5.928 1.00 0.00 C ATOM 271 C ALA A 20 1.615 -5.485 5.204 1.00 0.00 C ATOM 272 O ALA A 20 2.691 -5.853 4.732 1.00 0.00 O ATOM 273 CB ALA A 20 0.647 -3.181 5.118 1.00 0.00 C ATOM 0 H ALA A 20 3.347 -3.353 5.347 1.00 0.00 H new ATOM 0 HA ALA A 20 1.011 -4.325 6.888 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.332 -3.624 4.933 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.525 -2.251 5.673 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.137 -2.974 4.167 1.00 0.00 H new ATOM 279 N SER A 21 0.503 -6.208 5.120 1.00 0.00 N ATOM 280 CA SER A 21 0.484 -7.507 4.457 1.00 0.00 C ATOM 281 C SER A 21 -0.140 -7.399 3.069 1.00 0.00 C ATOM 282 O SER A 21 -0.733 -6.378 2.721 1.00 0.00 O ATOM 283 CB SER A 21 -0.292 -8.521 5.299 1.00 0.00 C ATOM 284 OG SER A 21 0.498 -9.003 6.373 1.00 0.00 O ATOM 0 H SER A 21 -0.396 -5.917 5.503 1.00 0.00 H new ATOM 0 HA SER A 21 1.514 -7.847 4.348 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.198 -8.057 5.689 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.606 -9.355 4.671 1.00 0.00 H new ATOM 0 HG SER A 21 -0.021 -9.648 6.897 1.00 0.00 H new ATOM 290 N GLU A 22 -0.001 -8.460 2.280 1.00 0.00 N ATOM 291 CA GLU A 22 -0.550 -8.484 0.930 1.00 0.00 C ATOM 292 C GLU A 22 -1.999 -8.007 0.923 1.00 0.00 C ATOM 293 O GLU A 22 -2.775 -8.330 1.821 1.00 0.00 O ATOM 294 CB GLU A 22 -0.464 -9.896 0.345 1.00 0.00 C ATOM 295 CG GLU A 22 0.838 -10.173 -0.388 1.00 0.00 C ATOM 296 CD GLU A 22 0.940 -11.605 -0.875 1.00 0.00 C ATOM 297 OE1 GLU A 22 0.159 -11.982 -1.774 1.00 0.00 O ATOM 298 OE2 GLU A 22 1.800 -12.348 -0.358 1.00 0.00 O ATOM 0 H GLU A 22 0.487 -9.313 2.553 1.00 0.00 H new ATOM 0 HA GLU A 22 0.041 -7.806 0.314 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.579 -10.621 1.150 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.297 -10.047 -0.342 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.922 -9.497 -1.239 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.676 -9.958 0.274 1.00 0.00 H new ATOM 305 N GLY A 23 -2.357 -7.235 -0.099 1.00 0.00 N ATOM 306 CA GLY A 23 -3.711 -6.724 -0.204 1.00 0.00 C ATOM 307 C GLY A 23 -3.894 -5.409 0.527 1.00 0.00 C ATOM 308 O GLY A 23 -4.735 -4.593 0.150 1.00 0.00 O ATOM 0 H GLY A 23 -1.733 -6.955 -0.856 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.965 -6.590 -1.256 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.406 -7.460 0.200 1.00 0.00 H new ATOM 312 N ALA A 24 -3.105 -5.203 1.577 1.00 0.00 N ATOM 313 CA ALA A 24 -3.184 -3.978 2.362 1.00 0.00 C ATOM 314 C ALA A 24 -2.917 -2.752 1.495 1.00 0.00 C ATOM 315 O ALA A 24 -2.809 -2.854 0.273 1.00 0.00 O ATOM 316 CB ALA A 24 -2.200 -4.030 3.522 1.00 0.00 C ATOM 0 H ALA A 24 -2.404 -5.869 1.903 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.195 -3.896 2.760 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.270 -3.108 4.100 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.438 -4.879 4.163 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.187 -4.140 3.135 1.00 0.00 H new ATOM 322 N THR A 25 -2.814 -1.591 2.135 1.00 0.00 N ATOM 323 CA THR A 25 -2.562 -0.345 1.423 1.00 0.00 C ATOM 324 C THR A 25 -1.413 0.430 2.058 1.00 0.00 C ATOM 325 O THR A 25 -1.561 1.004 3.136 1.00 0.00 O ATOM 326 CB THR A 25 -3.816 0.549 1.395 1.00 0.00 C ATOM 327 OG1 THR A 25 -4.873 -0.110 0.688 1.00 0.00 O ATOM 328 CG2 THR A 25 -3.514 1.885 0.733 1.00 0.00 C ATOM 0 H THR A 25 -2.901 -1.488 3.146 1.00 0.00 H new ATOM 0 HA THR A 25 -2.293 -0.614 0.401 1.00 0.00 H new ATOM 0 HB THR A 25 -4.126 0.732 2.424 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.667 0.465 0.677 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.415 2.499 0.725 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.730 2.398 1.290 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.181 1.717 -0.291 1.00 0.00 H new ATOM 336 N ALA A 26 -0.269 0.442 1.383 1.00 0.00 N ATOM 337 CA ALA A 26 0.904 1.149 1.880 1.00 0.00 C ATOM 338 C ALA A 26 0.623 2.640 2.032 1.00 0.00 C ATOM 339 O ALA A 26 0.216 3.307 1.080 1.00 0.00 O ATOM 340 CB ALA A 26 2.089 0.925 0.952 1.00 0.00 C ATOM 0 H ALA A 26 -0.130 -0.030 0.490 1.00 0.00 H new ATOM 0 HA ALA A 26 1.148 0.750 2.864 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.958 1.459 1.336 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.313 -0.140 0.898 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.846 1.296 -0.044 1.00 0.00 H new ATOM 346 N THR A 27 0.843 3.159 3.237 1.00 0.00 N ATOM 347 CA THR A 27 0.611 4.571 3.514 1.00 0.00 C ATOM 348 C THR A 27 1.922 5.300 3.786 1.00 0.00 C ATOM 349 O THR A 27 2.529 5.133 4.845 1.00 0.00 O ATOM 350 CB THR A 27 -0.328 4.760 4.720 1.00 0.00 C ATOM 351 OG1 THR A 27 -1.555 4.055 4.500 1.00 0.00 O ATOM 352 CG2 THR A 27 -0.620 6.235 4.952 1.00 0.00 C ATOM 0 H THR A 27 1.181 2.622 4.036 1.00 0.00 H new ATOM 0 HA THR A 27 0.140 4.994 2.627 1.00 0.00 H new ATOM 0 HB THR A 27 0.167 4.360 5.605 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.146 4.178 5.272 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.285 6.344 5.809 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.313 6.764 5.147 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.097 6.655 4.067 1.00 0.00 H new ATOM 360 N LEU A 28 2.354 6.110 2.825 1.00 0.00 N ATOM 361 CA LEU A 28 3.594 6.866 2.962 1.00 0.00 C ATOM 362 C LEU A 28 3.308 8.356 3.122 1.00 0.00 C ATOM 363 O LEU A 28 2.698 8.977 2.253 1.00 0.00 O ATOM 364 CB LEU A 28 4.492 6.635 1.746 1.00 0.00 C ATOM 365 CG LEU A 28 4.827 5.178 1.426 1.00 0.00 C ATOM 366 CD1 LEU A 28 3.804 4.594 0.464 1.00 0.00 C ATOM 367 CD2 LEU A 28 6.230 5.069 0.846 1.00 0.00 C ATOM 0 H LEU A 28 1.864 6.260 1.943 1.00 0.00 H new ATOM 0 HA LEU A 28 4.108 6.515 3.857 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.009 7.076 0.874 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.426 7.176 1.901 1.00 0.00 H new ATOM 0 HG LEU A 28 4.792 4.605 2.353 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.059 3.556 0.248 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.813 4.638 0.916 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.806 5.169 -0.462 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.452 4.025 0.624 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.291 5.656 -0.070 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.953 5.448 1.569 1.00 0.00 H new ATOM 379 N GLN A 29 3.756 8.922 4.238 1.00 0.00 N ATOM 380 CA GLN A 29 3.549 10.340 4.511 1.00 0.00 C ATOM 381 C GLN A 29 4.882 11.066 4.654 1.00 0.00 C ATOM 382 O GLN A 29 5.792 10.587 5.332 1.00 0.00 O ATOM 383 CB GLN A 29 2.717 10.520 5.782 1.00 0.00 C ATOM 384 CG GLN A 29 1.236 10.241 5.584 1.00 0.00 C ATOM 385 CD GLN A 29 0.453 10.299 6.881 1.00 0.00 C ATOM 386 OE1 GLN A 29 1.027 10.452 7.960 1.00 0.00 O ATOM 387 NE2 GLN A 29 -0.866 10.178 6.782 1.00 0.00 N ATOM 0 H GLN A 29 4.264 8.421 4.967 1.00 0.00 H new ATOM 0 HA GLN A 29 3.009 10.772 3.668 1.00 0.00 H new ATOM 0 HB2 GLN A 29 3.103 9.857 6.556 1.00 0.00 H new ATOM 0 HB3 GLN A 29 2.841 11.540 6.146 1.00 0.00 H new ATOM 0 HG2 GLN A 29 0.824 10.967 4.883 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.113 9.256 5.133 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -1.299 10.053 5.867 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.445 10.210 7.621 1.00 0.00 H new ATOM 396 N CYS A 30 4.991 12.224 4.013 1.00 0.00 N ATOM 397 CA CYS A 30 6.214 13.017 4.068 1.00 0.00 C ATOM 398 C CYS A 30 5.899 14.484 4.341 1.00 0.00 C ATOM 399 O CYS A 30 4.757 14.920 4.202 1.00 0.00 O ATOM 400 CB CYS A 30 6.992 12.885 2.758 1.00 0.00 C ATOM 401 SG CYS A 30 6.242 13.757 1.363 1.00 0.00 S ATOM 0 H CYS A 30 4.247 12.635 3.449 1.00 0.00 H new ATOM 0 HA CYS A 30 6.827 12.638 4.886 1.00 0.00 H new ATOM 0 HB2 CYS A 30 8.003 13.264 2.908 1.00 0.00 H new ATOM 0 HB3 CYS A 30 7.082 11.828 2.506 1.00 0.00 H new ATOM 0 HG CYS A 30 6.973 13.588 0.302 1.00 0.00 H new ATOM 407 N GLU A 31 6.920 15.241 4.731 1.00 0.00 N ATOM 408 CA GLU A 31 6.751 16.659 5.026 1.00 0.00 C ATOM 409 C GLU A 31 7.583 17.515 4.076 1.00 0.00 C ATOM 410 O GLU A 31 8.501 17.022 3.420 1.00 0.00 O ATOM 411 CB GLU A 31 7.147 16.952 6.475 1.00 0.00 C ATOM 412 CG GLU A 31 6.382 18.111 7.093 1.00 0.00 C ATOM 413 CD GLU A 31 6.528 18.168 8.601 1.00 0.00 C ATOM 414 OE1 GLU A 31 5.917 17.325 9.289 1.00 0.00 O ATOM 415 OE2 GLU A 31 7.255 19.057 9.092 1.00 0.00 O ATOM 0 H GLU A 31 7.872 14.896 4.850 1.00 0.00 H new ATOM 0 HA GLU A 31 5.700 16.910 4.887 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.982 16.058 7.076 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.214 17.170 6.514 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.737 19.047 6.662 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.326 18.022 6.837 1.00 0.00 H new ATOM 422 N LEU A 32 7.254 18.801 4.007 1.00 0.00 N ATOM 423 CA LEU A 32 7.970 19.727 3.137 1.00 0.00 C ATOM 424 C LEU A 32 8.078 21.106 3.781 1.00 0.00 C ATOM 425 O LEU A 32 7.327 21.433 4.700 1.00 0.00 O ATOM 426 CB LEU A 32 7.264 19.837 1.785 1.00 0.00 C ATOM 427 CG LEU A 32 7.281 18.580 0.915 1.00 0.00 C ATOM 428 CD1 LEU A 32 6.355 18.746 -0.281 1.00 0.00 C ATOM 429 CD2 LEU A 32 8.697 18.268 0.456 1.00 0.00 C ATOM 0 H LEU A 32 6.497 19.225 4.543 1.00 0.00 H new ATOM 0 HA LEU A 32 8.977 19.338 2.983 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.226 20.118 1.962 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.723 20.650 1.223 1.00 0.00 H new ATOM 0 HG LEU A 32 6.922 17.743 1.513 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.380 17.842 -0.889 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.337 18.920 0.068 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.683 19.595 -0.880 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.690 17.370 -0.162 1.00 0.00 H new ATOM 0 HD22 LEU A 32 9.084 19.105 -0.125 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.334 18.105 1.326 1.00 0.00 H new ATOM 441 N SER A 33 9.015 21.911 3.291 1.00 0.00 N ATOM 442 CA SER A 33 9.222 23.254 3.819 1.00 0.00 C ATOM 443 C SER A 33 8.061 24.170 3.445 1.00 0.00 C ATOM 444 O SER A 33 7.845 25.207 4.072 1.00 0.00 O ATOM 445 CB SER A 33 10.536 23.835 3.293 1.00 0.00 C ATOM 446 OG SER A 33 11.615 23.519 4.155 1.00 0.00 O ATOM 0 H SER A 33 9.643 21.656 2.529 1.00 0.00 H new ATOM 0 HA SER A 33 9.273 23.187 4.906 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.737 23.444 2.296 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.447 24.917 3.199 1.00 0.00 H new ATOM 0 HG SER A 33 12.356 24.139 3.992 1.00 0.00 H new ATOM 452 N LYS A 34 7.316 23.780 2.416 1.00 0.00 N ATOM 453 CA LYS A 34 6.175 24.563 1.956 1.00 0.00 C ATOM 454 C LYS A 34 5.291 23.741 1.024 1.00 0.00 C ATOM 455 O LYS A 34 5.737 22.753 0.440 1.00 0.00 O ATOM 456 CB LYS A 34 6.654 25.827 1.239 1.00 0.00 C ATOM 457 CG LYS A 34 7.178 25.569 -0.163 1.00 0.00 C ATOM 458 CD LYS A 34 7.186 26.838 -0.998 1.00 0.00 C ATOM 459 CE LYS A 34 8.501 27.590 -0.855 1.00 0.00 C ATOM 460 NZ LYS A 34 8.535 28.419 0.382 1.00 0.00 N ATOM 0 H LYS A 34 7.482 22.926 1.884 1.00 0.00 H new ATOM 0 HA LYS A 34 5.586 24.848 2.828 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.830 26.538 1.185 1.00 0.00 H new ATOM 0 HB3 LYS A 34 7.440 26.295 1.831 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.188 25.164 -0.106 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.559 24.816 -0.651 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.021 26.587 -2.046 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.362 27.482 -0.691 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.326 26.878 -0.838 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.650 28.230 -1.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.215 29.197 0.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 7.589 28.811 0.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 8.825 27.829 1.188 1.00 0.00 H new ATOM 474 N VAL A 35 4.035 24.155 0.888 1.00 0.00 N ATOM 475 CA VAL A 35 3.089 23.459 0.025 1.00 0.00 C ATOM 476 C VAL A 35 3.551 23.482 -1.428 1.00 0.00 C ATOM 477 O VAL A 35 3.306 24.447 -2.152 1.00 0.00 O ATOM 478 CB VAL A 35 1.683 24.081 0.116 1.00 0.00 C ATOM 479 CG1 VAL A 35 0.669 23.220 -0.622 1.00 0.00 C ATOM 480 CG2 VAL A 35 1.277 24.270 1.569 1.00 0.00 C ATOM 0 H VAL A 35 3.649 24.970 1.365 1.00 0.00 H new ATOM 0 HA VAL A 35 3.044 22.427 0.372 1.00 0.00 H new ATOM 0 HB VAL A 35 1.707 25.061 -0.361 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.318 23.675 -0.547 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.953 23.142 -1.671 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.644 22.225 -0.178 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.281 24.711 1.614 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.270 23.304 2.073 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.989 24.931 2.063 1.00 0.00 H new ATOM 490 N ALA A 36 4.219 22.413 -1.848 1.00 0.00 N ATOM 491 CA ALA A 36 4.713 22.310 -3.215 1.00 0.00 C ATOM 492 C ALA A 36 4.467 20.917 -3.784 1.00 0.00 C ATOM 493 O ALA A 36 4.407 19.925 -3.058 1.00 0.00 O ATOM 494 CB ALA A 36 6.196 22.649 -3.268 1.00 0.00 C ATOM 0 H ALA A 36 4.430 21.606 -1.261 1.00 0.00 H new ATOM 0 HA ALA A 36 4.166 23.026 -3.827 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.551 22.568 -4.295 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.350 23.667 -2.910 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.751 21.955 -2.636 1.00 0.00 H new ATOM 500 N PRO A 37 4.318 20.838 -5.115 1.00 0.00 N ATOM 501 CA PRO A 37 4.075 19.571 -5.811 1.00 0.00 C ATOM 502 C PRO A 37 5.296 18.657 -5.794 1.00 0.00 C ATOM 503 O PRO A 37 6.427 19.112 -5.963 1.00 0.00 O ATOM 504 CB PRO A 37 3.754 20.008 -7.242 1.00 0.00 C ATOM 505 CG PRO A 37 4.430 21.327 -7.396 1.00 0.00 C ATOM 506 CD PRO A 37 4.377 21.980 -6.043 1.00 0.00 C ATOM 0 HA PRO A 37 3.281 18.993 -5.339 1.00 0.00 H new ATOM 0 HB2 PRO A 37 4.125 19.286 -7.969 1.00 0.00 H new ATOM 0 HB3 PRO A 37 2.679 20.094 -7.398 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.460 21.201 -7.728 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.926 21.939 -8.144 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.255 22.600 -5.862 1.00 0.00 H new ATOM 0 HD3 PRO A 37 3.504 22.625 -5.942 1.00 0.00 H new ATOM 514 N VAL A 38 5.059 17.365 -5.590 1.00 0.00 N ATOM 515 CA VAL A 38 6.139 16.386 -5.553 1.00 0.00 C ATOM 516 C VAL A 38 5.897 15.262 -6.553 1.00 0.00 C ATOM 517 O VAL A 38 4.803 15.131 -7.101 1.00 0.00 O ATOM 518 CB VAL A 38 6.301 15.781 -4.146 1.00 0.00 C ATOM 519 CG1 VAL A 38 6.359 16.880 -3.095 1.00 0.00 C ATOM 520 CG2 VAL A 38 5.168 14.810 -3.851 1.00 0.00 C ATOM 0 H VAL A 38 4.129 16.972 -5.448 1.00 0.00 H new ATOM 0 HA VAL A 38 7.054 16.915 -5.820 1.00 0.00 H new ATOM 0 HB VAL A 38 7.241 15.229 -4.112 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.474 16.433 -2.107 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.207 17.533 -3.298 1.00 0.00 H new ATOM 0 HG13 VAL A 38 5.438 17.462 -3.125 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.298 14.392 -2.853 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.215 15.336 -3.903 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.178 14.005 -4.586 1.00 0.00 H new ATOM 530 N GLU A 39 6.924 14.451 -6.785 1.00 0.00 N ATOM 531 CA GLU A 39 6.822 13.337 -7.720 1.00 0.00 C ATOM 532 C GLU A 39 7.340 12.048 -7.089 1.00 0.00 C ATOM 533 O GLU A 39 8.529 11.922 -6.796 1.00 0.00 O ATOM 534 CB GLU A 39 7.605 13.642 -8.999 1.00 0.00 C ATOM 535 CG GLU A 39 7.630 12.488 -9.987 1.00 0.00 C ATOM 536 CD GLU A 39 8.767 12.598 -10.984 1.00 0.00 C ATOM 537 OE1 GLU A 39 9.928 12.366 -10.588 1.00 0.00 O ATOM 538 OE2 GLU A 39 8.495 12.916 -12.161 1.00 0.00 O ATOM 0 H GLU A 39 7.836 14.545 -6.338 1.00 0.00 H new ATOM 0 HA GLU A 39 5.770 13.202 -7.970 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.167 14.515 -9.484 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.629 13.905 -8.734 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.720 11.549 -9.441 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.682 12.454 -10.525 1.00 0.00 H new ATOM 545 N TRP A 40 6.439 11.094 -6.883 1.00 0.00 N ATOM 546 CA TRP A 40 6.804 9.814 -6.286 1.00 0.00 C ATOM 547 C TRP A 40 7.487 8.912 -7.307 1.00 0.00 C ATOM 548 O TRP A 40 7.149 8.930 -8.491 1.00 0.00 O ATOM 549 CB TRP A 40 5.564 9.119 -5.722 1.00 0.00 C ATOM 550 CG TRP A 40 4.907 9.883 -4.612 1.00 0.00 C ATOM 551 CD1 TRP A 40 4.168 11.026 -4.730 1.00 0.00 C ATOM 552 CD2 TRP A 40 4.931 9.561 -3.218 1.00 0.00 C ATOM 553 NE1 TRP A 40 3.732 11.433 -3.492 1.00 0.00 N ATOM 554 CE2 TRP A 40 4.186 10.551 -2.548 1.00 0.00 C ATOM 555 CE3 TRP A 40 5.508 8.531 -2.470 1.00 0.00 C ATOM 556 CZ2 TRP A 40 4.006 10.540 -1.167 1.00 0.00 C ATOM 557 CZ3 TRP A 40 5.328 8.521 -1.100 1.00 0.00 C ATOM 558 CH2 TRP A 40 4.582 9.520 -0.460 1.00 0.00 C ATOM 0 H TRP A 40 5.451 11.182 -7.120 1.00 0.00 H new ATOM 0 HA TRP A 40 7.505 10.007 -5.474 1.00 0.00 H new ATOM 0 HB2 TRP A 40 4.843 8.969 -6.526 1.00 0.00 H new ATOM 0 HB3 TRP A 40 5.845 8.131 -5.357 1.00 0.00 H new ATOM 0 HD1 TRP A 40 3.958 11.535 -5.659 1.00 0.00 H new ATOM 0 HE1 TRP A 40 3.162 12.258 -3.306 1.00 0.00 H new ATOM 0 HE3 TRP A 40 6.084 7.757 -2.954 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 3.432 11.309 -0.672 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 5.770 7.730 -0.512 1.00 0.00 H new ATOM 0 HH2 TRP A 40 4.459 9.484 0.612 1.00 0.00 H new ATOM 569 N LYS A 41 8.451 8.124 -6.843 1.00 0.00 N ATOM 570 CA LYS A 41 9.181 7.213 -7.716 1.00 0.00 C ATOM 571 C LYS A 41 9.426 5.875 -7.024 1.00 0.00 C ATOM 572 O LYS A 41 9.551 5.811 -5.801 1.00 0.00 O ATOM 573 CB LYS A 41 10.516 7.834 -8.134 1.00 0.00 C ATOM 574 CG LYS A 41 10.421 8.694 -9.383 1.00 0.00 C ATOM 575 CD LYS A 41 11.720 8.678 -10.171 1.00 0.00 C ATOM 576 CE LYS A 41 11.805 9.856 -11.130 1.00 0.00 C ATOM 577 NZ LYS A 41 12.419 11.051 -10.488 1.00 0.00 N ATOM 0 H LYS A 41 8.745 8.098 -5.867 1.00 0.00 H new ATOM 0 HA LYS A 41 8.574 7.037 -8.604 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.898 8.441 -7.313 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.240 7.038 -8.305 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.608 8.334 -10.013 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.177 9.719 -9.103 1.00 0.00 H new ATOM 0 HD2 LYS A 41 12.565 8.706 -9.483 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.796 7.746 -10.731 1.00 0.00 H new ATOM 0 HE2 LYS A 41 12.392 9.571 -12.004 1.00 0.00 H new ATOM 0 HE3 LYS A 41 10.806 10.108 -11.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 11.946 11.911 -10.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 12.311 10.985 -9.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 13.430 11.093 -10.728 1.00 0.00 H new ATOM 591 N LYS A 42 9.495 4.809 -7.815 1.00 0.00 N ATOM 592 CA LYS A 42 9.728 3.473 -7.280 1.00 0.00 C ATOM 593 C LYS A 42 11.011 2.876 -7.848 1.00 0.00 C ATOM 594 O LYS A 42 11.243 1.671 -7.750 1.00 0.00 O ATOM 595 CB LYS A 42 8.543 2.560 -7.599 1.00 0.00 C ATOM 596 CG LYS A 42 8.643 1.187 -6.958 1.00 0.00 C ATOM 597 CD LYS A 42 7.298 0.479 -6.940 1.00 0.00 C ATOM 598 CE LYS A 42 7.464 -1.031 -6.863 1.00 0.00 C ATOM 599 NZ LYS A 42 8.184 -1.447 -5.628 1.00 0.00 N ATOM 0 H LYS A 42 9.393 4.845 -8.829 1.00 0.00 H new ATOM 0 HA LYS A 42 9.834 3.555 -6.198 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.624 3.042 -7.265 1.00 0.00 H new ATOM 0 HB3 LYS A 42 8.467 2.442 -8.680 1.00 0.00 H new ATOM 0 HG2 LYS A 42 9.366 0.582 -7.504 1.00 0.00 H new ATOM 0 HG3 LYS A 42 9.016 1.287 -5.939 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.714 0.826 -6.087 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.737 0.739 -7.837 1.00 0.00 H new ATOM 0 HE2 LYS A 42 6.483 -1.506 -6.889 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.011 -1.381 -7.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 8.247 -2.485 -5.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.142 -1.042 -5.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.667 -1.106 -4.793 1.00 0.00 H new ATOM 613 N GLY A 43 11.843 3.726 -8.442 1.00 0.00 N ATOM 614 CA GLY A 43 13.093 3.263 -9.016 1.00 0.00 C ATOM 615 C GLY A 43 13.509 4.072 -10.229 1.00 0.00 C ATOM 616 O GLY A 43 13.320 5.287 -10.286 1.00 0.00 O ATOM 0 H GLY A 43 11.674 4.727 -8.536 1.00 0.00 H new ATOM 0 HA2 GLY A 43 13.878 3.316 -8.261 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.993 2.215 -9.299 1.00 0.00 H new ATOM 620 N PRO A 44 14.092 3.392 -11.227 1.00 0.00 N ATOM 621 CA PRO A 44 14.550 4.036 -12.462 1.00 0.00 C ATOM 622 C PRO A 44 13.391 4.511 -13.332 1.00 0.00 C ATOM 623 O PRO A 44 13.598 5.023 -14.431 1.00 0.00 O ATOM 624 CB PRO A 44 15.331 2.927 -13.172 1.00 0.00 C ATOM 625 CG PRO A 44 14.749 1.659 -12.649 1.00 0.00 C ATOM 626 CD PRO A 44 14.349 1.942 -11.227 1.00 0.00 C ATOM 0 HA PRO A 44 15.140 4.930 -12.261 1.00 0.00 H new ATOM 0 HB2 PRO A 44 15.221 2.996 -14.254 1.00 0.00 H new ATOM 0 HB3 PRO A 44 16.397 2.992 -12.955 1.00 0.00 H new ATOM 0 HG2 PRO A 44 13.888 1.351 -13.242 1.00 0.00 H new ATOM 0 HG3 PRO A 44 15.475 0.848 -12.696 1.00 0.00 H new ATOM 0 HD2 PRO A 44 13.463 1.377 -10.939 1.00 0.00 H new ATOM 0 HD3 PRO A 44 15.140 1.674 -10.526 1.00 0.00 H new ATOM 634 N GLU A 45 12.171 4.338 -12.831 1.00 0.00 N ATOM 635 CA GLU A 45 10.980 4.750 -13.564 1.00 0.00 C ATOM 636 C GLU A 45 10.207 5.816 -12.792 1.00 0.00 C ATOM 637 O GLU A 45 10.457 6.046 -11.609 1.00 0.00 O ATOM 638 CB GLU A 45 10.077 3.544 -13.832 1.00 0.00 C ATOM 639 CG GLU A 45 10.368 2.846 -15.150 1.00 0.00 C ATOM 640 CD GLU A 45 10.063 1.361 -15.104 1.00 0.00 C ATOM 641 OE1 GLU A 45 10.828 0.619 -14.454 1.00 0.00 O ATOM 642 OE2 GLU A 45 9.060 0.942 -15.719 1.00 0.00 O ATOM 0 H GLU A 45 11.982 3.916 -11.922 1.00 0.00 H new ATOM 0 HA GLU A 45 11.299 5.175 -14.516 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.191 2.828 -13.018 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.037 3.871 -13.826 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.778 3.310 -15.940 1.00 0.00 H new ATOM 0 HG3 GLU A 45 11.417 2.990 -15.409 1.00 0.00 H new ATOM 649 N THR A 46 9.267 6.465 -13.472 1.00 0.00 N ATOM 650 CA THR A 46 8.459 7.508 -12.852 1.00 0.00 C ATOM 651 C THR A 46 7.022 7.043 -12.651 1.00 0.00 C ATOM 652 O THR A 46 6.446 6.380 -13.515 1.00 0.00 O ATOM 653 CB THR A 46 8.456 8.794 -13.700 1.00 0.00 C ATOM 654 OG1 THR A 46 9.695 8.917 -14.408 1.00 0.00 O ATOM 655 CG2 THR A 46 8.244 10.019 -12.823 1.00 0.00 C ATOM 0 H THR A 46 9.047 6.287 -14.452 1.00 0.00 H new ATOM 0 HA THR A 46 8.908 7.722 -11.882 1.00 0.00 H new ATOM 0 HB THR A 46 7.635 8.731 -14.414 1.00 0.00 H new ATOM 0 HG1 THR A 46 9.684 9.736 -14.946 1.00 0.00 H new ATOM 0 HG21 THR A 46 8.246 10.915 -13.443 1.00 0.00 H new ATOM 0 HG22 THR A 46 7.287 9.936 -12.307 1.00 0.00 H new ATOM 0 HG23 THR A 46 9.047 10.084 -12.089 1.00 0.00 H new ATOM 663 N LEU A 47 6.446 7.393 -11.506 1.00 0.00 N ATOM 664 CA LEU A 47 5.074 7.012 -11.191 1.00 0.00 C ATOM 665 C LEU A 47 4.116 8.174 -11.435 1.00 0.00 C ATOM 666 O LEU A 47 4.534 9.264 -11.824 1.00 0.00 O ATOM 667 CB LEU A 47 4.973 6.550 -9.736 1.00 0.00 C ATOM 668 CG LEU A 47 5.646 5.217 -9.406 1.00 0.00 C ATOM 669 CD1 LEU A 47 5.424 4.853 -7.947 1.00 0.00 C ATOM 670 CD2 LEU A 47 5.124 4.116 -10.318 1.00 0.00 C ATOM 0 H LEU A 47 6.908 7.940 -10.780 1.00 0.00 H new ATOM 0 HA LEU A 47 4.792 6.189 -11.848 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.408 7.321 -9.100 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.918 6.477 -9.472 1.00 0.00 H new ATOM 0 HG LEU A 47 6.718 5.322 -9.573 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.910 3.902 -7.731 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.847 5.629 -7.310 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.355 4.767 -7.752 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.614 3.175 -10.069 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.047 4.012 -10.183 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.336 4.372 -11.356 1.00 0.00 H new ATOM 682 N ARG A 48 2.830 7.932 -11.202 1.00 0.00 N ATOM 683 CA ARG A 48 1.813 8.959 -11.396 1.00 0.00 C ATOM 684 C ARG A 48 0.564 8.648 -10.577 1.00 0.00 C ATOM 685 O ARG A 48 0.382 7.525 -10.106 1.00 0.00 O ATOM 686 CB ARG A 48 1.450 9.073 -12.878 1.00 0.00 C ATOM 687 CG ARG A 48 2.330 10.044 -13.648 1.00 0.00 C ATOM 688 CD ARG A 48 1.862 10.200 -15.086 1.00 0.00 C ATOM 689 NE ARG A 48 2.339 9.113 -15.938 1.00 0.00 N ATOM 690 CZ ARG A 48 1.925 8.921 -17.185 1.00 0.00 C ATOM 691 NH1 ARG A 48 1.031 9.739 -17.724 1.00 0.00 N ATOM 692 NH2 ARG A 48 2.406 7.910 -17.897 1.00 0.00 N ATOM 0 H ARG A 48 2.468 7.035 -10.879 1.00 0.00 H new ATOM 0 HA ARG A 48 2.222 9.910 -11.055 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.522 8.087 -13.338 1.00 0.00 H new ATOM 0 HB3 ARG A 48 0.411 9.390 -12.965 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.321 11.015 -13.154 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.361 9.690 -13.636 1.00 0.00 H new ATOM 0 HD2 ARG A 48 0.773 10.229 -15.112 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.216 11.152 -15.481 1.00 0.00 H new ATOM 0 HE ARG A 48 3.028 8.466 -15.554 1.00 0.00 H new ATOM 0 HH11 ARG A 48 0.660 10.518 -17.180 1.00 0.00 H new ATOM 0 HH12 ARG A 48 0.715 9.589 -18.682 1.00 0.00 H new ATOM 0 HH21 ARG A 48 3.095 7.279 -17.487 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.087 7.764 -18.855 1.00 0.00 H new ATOM 706 N ASP A 49 -0.293 9.649 -10.412 1.00 0.00 N ATOM 707 CA ASP A 49 -1.526 9.483 -9.651 1.00 0.00 C ATOM 708 C ASP A 49 -2.696 9.162 -10.575 1.00 0.00 C ATOM 709 O ASP A 49 -3.076 9.974 -11.418 1.00 0.00 O ATOM 710 CB ASP A 49 -1.828 10.747 -8.846 1.00 0.00 C ATOM 711 CG ASP A 49 -2.222 11.915 -9.728 1.00 0.00 C ATOM 712 OD1 ASP A 49 -1.318 12.656 -10.169 1.00 0.00 O ATOM 713 OD2 ASP A 49 -3.433 12.090 -9.977 1.00 0.00 O ATOM 0 H ASP A 49 -0.157 10.584 -10.795 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.390 8.648 -8.964 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.633 10.541 -8.140 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.951 11.019 -8.259 1.00 0.00 H new ATOM 756 N TYR A 53 -2.387 3.554 -7.487 1.00 0.00 N ATOM 757 CA TYR A 53 -1.530 4.515 -6.803 1.00 0.00 C ATOM 758 C TYR A 53 -2.260 5.837 -6.586 1.00 0.00 C ATOM 759 O TYR A 53 -2.546 6.565 -7.537 1.00 0.00 O ATOM 760 CB TYR A 53 -0.250 4.752 -7.606 1.00 0.00 C ATOM 761 CG TYR A 53 0.547 3.492 -7.859 1.00 0.00 C ATOM 762 CD1 TYR A 53 1.212 2.847 -6.824 1.00 0.00 C ATOM 763 CD2 TYR A 53 0.637 2.947 -9.134 1.00 0.00 C ATOM 764 CE1 TYR A 53 1.942 1.697 -7.050 1.00 0.00 C ATOM 765 CE2 TYR A 53 1.363 1.797 -9.370 1.00 0.00 C ATOM 766 CZ TYR A 53 2.014 1.175 -8.325 1.00 0.00 C ATOM 767 OH TYR A 53 2.741 0.029 -8.556 1.00 0.00 O ATOM 0 HA TYR A 53 -1.268 4.101 -5.829 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.510 5.206 -8.562 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.376 5.467 -7.073 1.00 0.00 H new ATOM 0 HD1 TYR A 53 1.157 3.252 -5.824 1.00 0.00 H new ATOM 0 HD2 TYR A 53 0.130 3.432 -9.955 1.00 0.00 H new ATOM 0 HE1 TYR A 53 2.454 1.209 -6.234 1.00 0.00 H new ATOM 0 HE2 TYR A 53 1.421 1.387 -10.367 1.00 0.00 H new ATOM 0 HH TYR A 53 2.689 -0.206 -9.506 1.00 0.00 H new ATOM 777 N SER A 54 -2.557 6.142 -5.327 1.00 0.00 N ATOM 778 CA SER A 54 -3.256 7.375 -4.983 1.00 0.00 C ATOM 779 C SER A 54 -2.319 8.353 -4.282 1.00 0.00 C ATOM 780 O SER A 54 -1.760 8.048 -3.228 1.00 0.00 O ATOM 781 CB SER A 54 -4.459 7.072 -4.088 1.00 0.00 C ATOM 782 OG SER A 54 -5.475 8.046 -4.252 1.00 0.00 O ATOM 0 H SER A 54 -2.325 5.552 -4.528 1.00 0.00 H new ATOM 0 HA SER A 54 -3.607 7.834 -5.907 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.855 6.085 -4.328 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.143 7.044 -3.045 1.00 0.00 H new ATOM 0 HG SER A 54 -6.233 7.829 -3.671 1.00 0.00 H new ATOM 788 N LEU A 55 -2.152 9.531 -4.874 1.00 0.00 N ATOM 789 CA LEU A 55 -1.283 10.556 -4.307 1.00 0.00 C ATOM 790 C LEU A 55 -1.981 11.912 -4.288 1.00 0.00 C ATOM 791 O LEU A 55 -2.421 12.411 -5.323 1.00 0.00 O ATOM 792 CB LEU A 55 0.017 10.650 -5.109 1.00 0.00 C ATOM 793 CG LEU A 55 0.561 9.333 -5.663 1.00 0.00 C ATOM 794 CD1 LEU A 55 -0.261 8.877 -6.858 1.00 0.00 C ATOM 795 CD2 LEU A 55 2.026 9.480 -6.046 1.00 0.00 C ATOM 0 H LEU A 55 -2.607 9.800 -5.746 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.050 10.274 -3.280 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.143 11.333 -5.943 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.781 11.097 -4.473 1.00 0.00 H new ATOM 0 HG LEU A 55 0.484 8.574 -4.884 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.141 7.938 -7.239 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.297 8.731 -6.552 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.217 9.635 -7.640 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.396 8.533 -6.438 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.127 10.253 -6.808 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.606 9.760 -5.166 1.00 0.00 H new ATOM 807 N LYS A 56 -2.077 12.505 -3.102 1.00 0.00 N ATOM 808 CA LYS A 56 -2.718 13.805 -2.946 1.00 0.00 C ATOM 809 C LYS A 56 -1.947 14.677 -1.960 1.00 0.00 C ATOM 810 O LYS A 56 -1.209 14.170 -1.116 1.00 0.00 O ATOM 811 CB LYS A 56 -4.162 13.631 -2.470 1.00 0.00 C ATOM 812 CG LYS A 56 -4.930 14.937 -2.365 1.00 0.00 C ATOM 813 CD LYS A 56 -6.274 14.741 -1.685 1.00 0.00 C ATOM 814 CE LYS A 56 -6.167 14.916 -0.178 1.00 0.00 C ATOM 815 NZ LYS A 56 -7.317 14.294 0.535 1.00 0.00 N ATOM 0 H LYS A 56 -1.719 12.105 -2.235 1.00 0.00 H new ATOM 0 HA LYS A 56 -2.720 14.300 -3.917 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.685 12.966 -3.158 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -4.158 13.142 -1.496 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -4.340 15.663 -1.805 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.083 15.351 -3.362 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -6.993 15.456 -2.085 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -6.655 13.745 -1.911 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -5.237 14.470 0.174 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.122 15.978 0.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -7.207 14.435 1.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -8.203 14.737 0.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -7.345 13.276 0.326 1.00 0.00 H new ATOM 829 N GLN A 57 -2.126 15.989 -2.072 1.00 0.00 N ATOM 830 CA GLN A 57 -1.448 16.930 -1.189 1.00 0.00 C ATOM 831 C GLN A 57 -2.280 17.201 0.061 1.00 0.00 C ATOM 832 O GLN A 57 -3.498 17.359 -0.015 1.00 0.00 O ATOM 833 CB GLN A 57 -1.169 18.242 -1.924 1.00 0.00 C ATOM 834 CG GLN A 57 0.077 18.962 -1.433 1.00 0.00 C ATOM 835 CD GLN A 57 1.331 18.524 -2.164 1.00 0.00 C ATOM 836 OE1 GLN A 57 1.266 18.026 -3.288 1.00 0.00 O ATOM 837 NE2 GLN A 57 2.482 18.706 -1.527 1.00 0.00 N ATOM 0 H GLN A 57 -2.735 16.424 -2.765 1.00 0.00 H new ATOM 0 HA GLN A 57 -0.501 16.484 -0.884 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -1.064 18.037 -2.989 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -2.029 18.902 -1.810 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -0.056 20.037 -1.559 1.00 0.00 H new ATOM 0 HG3 GLN A 57 0.201 18.779 -0.366 1.00 0.00 H new ATOM 0 HE21 GLN A 57 2.489 19.123 -0.596 1.00 0.00 H new ATOM 0 HE22 GLN A 57 3.359 18.429 -1.969 1.00 0.00 H new ATOM 846 N ASP A 58 -1.614 17.251 1.209 1.00 0.00 N ATOM 847 CA ASP A 58 -2.291 17.504 2.475 1.00 0.00 C ATOM 848 C ASP A 58 -1.565 18.580 3.275 1.00 0.00 C ATOM 849 O ASP A 58 -1.072 18.326 4.374 1.00 0.00 O ATOM 850 CB ASP A 58 -2.382 16.216 3.295 1.00 0.00 C ATOM 851 CG ASP A 58 -3.609 16.181 4.185 1.00 0.00 C ATOM 852 OD1 ASP A 58 -4.682 16.634 3.734 1.00 0.00 O ATOM 853 OD2 ASP A 58 -3.497 15.699 5.331 1.00 0.00 O ATOM 0 H ASP A 58 -0.606 17.120 1.289 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.298 17.858 2.255 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.402 15.360 2.620 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.488 16.117 3.910 1.00 0.00 H new ATOM 858 N GLY A 59 -1.502 19.785 2.716 1.00 0.00 N ATOM 859 CA GLY A 59 -0.832 20.882 3.390 1.00 0.00 C ATOM 860 C GLY A 59 0.587 20.535 3.793 1.00 0.00 C ATOM 861 O GLY A 59 0.821 20.003 4.878 1.00 0.00 O ATOM 0 H GLY A 59 -1.903 20.021 1.808 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.818 21.753 2.734 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.401 21.161 4.277 1.00 0.00 H new ATOM 865 N THR A 60 1.540 20.836 2.915 1.00 0.00 N ATOM 866 CA THR A 60 2.944 20.551 3.184 1.00 0.00 C ATOM 867 C THR A 60 3.135 19.107 3.635 1.00 0.00 C ATOM 868 O THR A 60 4.094 18.789 4.337 1.00 0.00 O ATOM 869 CB THR A 60 3.513 21.493 4.261 1.00 0.00 C ATOM 870 OG1 THR A 60 2.826 21.290 5.501 1.00 0.00 O ATOM 871 CG2 THR A 60 3.379 22.947 3.833 1.00 0.00 C ATOM 0 H THR A 60 1.364 21.277 2.012 1.00 0.00 H new ATOM 0 HA THR A 60 3.483 20.712 2.251 1.00 0.00 H new ATOM 0 HB THR A 60 4.571 21.265 4.391 1.00 0.00 H new ATOM 0 HG1 THR A 60 2.276 20.481 5.442 1.00 0.00 H new ATOM 0 HG21 THR A 60 3.788 23.594 4.609 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.927 23.105 2.904 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.327 23.185 3.679 1.00 0.00 H new ATOM 879 N ARG A 61 2.216 18.238 3.226 1.00 0.00 N ATOM 880 CA ARG A 61 2.284 16.828 3.589 1.00 0.00 C ATOM 881 C ARG A 61 1.650 15.957 2.509 1.00 0.00 C ATOM 882 O ARG A 61 0.452 16.057 2.241 1.00 0.00 O ATOM 883 CB ARG A 61 1.583 16.590 4.928 1.00 0.00 C ATOM 884 CG ARG A 61 2.493 16.769 6.133 1.00 0.00 C ATOM 885 CD ARG A 61 1.853 16.224 7.400 1.00 0.00 C ATOM 886 NE ARG A 61 2.168 14.813 7.609 1.00 0.00 N ATOM 887 CZ ARG A 61 3.385 14.367 7.896 1.00 0.00 C ATOM 888 NH1 ARG A 61 4.397 15.216 8.009 1.00 0.00 N ATOM 889 NH2 ARG A 61 3.593 13.068 8.072 1.00 0.00 N ATOM 0 H ARG A 61 1.416 18.486 2.643 1.00 0.00 H new ATOM 0 HA ARG A 61 3.335 16.553 3.682 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.741 17.276 5.014 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.174 15.580 4.940 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.440 16.259 5.954 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.720 17.827 6.265 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.196 16.803 8.257 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.772 16.349 7.343 1.00 0.00 H new ATOM 0 HE ARG A 61 1.412 14.133 7.530 1.00 0.00 H new ATOM 0 HH11 ARG A 61 4.242 16.215 7.875 1.00 0.00 H new ATOM 0 HH12 ARG A 61 5.331 14.870 8.230 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.817 12.411 7.987 1.00 0.00 H new ATOM 0 HH22 ARG A 61 4.529 12.727 8.292 1.00 0.00 H new ATOM 903 N CYS A 62 2.460 15.104 1.893 1.00 0.00 N ATOM 904 CA CYS A 62 1.979 14.216 0.840 1.00 0.00 C ATOM 905 C CYS A 62 1.718 12.816 1.386 1.00 0.00 C ATOM 906 O CYS A 62 2.536 12.266 2.123 1.00 0.00 O ATOM 907 CB CYS A 62 2.993 14.150 -0.303 1.00 0.00 C ATOM 908 SG CYS A 62 3.345 15.749 -1.071 1.00 0.00 S ATOM 0 H CYS A 62 3.453 15.008 2.104 1.00 0.00 H new ATOM 0 HA CYS A 62 1.040 14.619 0.460 1.00 0.00 H new ATOM 0 HB2 CYS A 62 3.924 13.728 0.075 1.00 0.00 H new ATOM 0 HB3 CYS A 62 2.620 13.467 -1.066 1.00 0.00 H new ATOM 0 HG CYS A 62 4.610 16.020 -0.948 1.00 0.00 H new ATOM 914 N GLU A 63 0.574 12.248 1.021 1.00 0.00 N ATOM 915 CA GLU A 63 0.205 10.913 1.478 1.00 0.00 C ATOM 916 C GLU A 63 -0.081 9.993 0.294 1.00 0.00 C ATOM 917 O GLU A 63 -1.062 10.178 -0.428 1.00 0.00 O ATOM 918 CB GLU A 63 -1.020 10.982 2.391 1.00 0.00 C ATOM 919 CG GLU A 63 -1.442 9.633 2.948 1.00 0.00 C ATOM 920 CD GLU A 63 -2.676 9.723 3.825 1.00 0.00 C ATOM 921 OE1 GLU A 63 -3.452 10.687 3.660 1.00 0.00 O ATOM 922 OE2 GLU A 63 -2.865 8.829 4.676 1.00 0.00 O ATOM 0 H GLU A 63 -0.113 12.690 0.411 1.00 0.00 H new ATOM 0 HA GLU A 63 1.045 10.504 2.040 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.807 11.657 3.220 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.853 11.413 1.835 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.637 8.948 2.123 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.620 9.210 3.526 1.00 0.00 H new ATOM 929 N LEU A 64 0.781 9.002 0.101 1.00 0.00 N ATOM 930 CA LEU A 64 0.623 8.052 -0.996 1.00 0.00 C ATOM 931 C LEU A 64 -0.034 6.764 -0.510 1.00 0.00 C ATOM 932 O LEU A 64 0.321 6.235 0.543 1.00 0.00 O ATOM 933 CB LEU A 64 1.981 7.739 -1.625 1.00 0.00 C ATOM 934 CG LEU A 64 2.055 6.459 -2.459 1.00 0.00 C ATOM 935 CD1 LEU A 64 1.174 6.574 -3.693 1.00 0.00 C ATOM 936 CD2 LEU A 64 3.494 6.163 -2.855 1.00 0.00 C ATOM 0 H LEU A 64 1.597 8.834 0.689 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.022 8.506 -1.748 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.268 8.579 -2.258 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.722 7.673 -0.828 1.00 0.00 H new ATOM 0 HG LEU A 64 1.688 5.631 -1.852 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.240 5.654 -4.274 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.140 6.738 -3.388 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.510 7.413 -4.303 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.528 5.249 -3.448 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.887 6.992 -3.444 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.100 6.036 -1.958 1.00 0.00 H new ATOM 948 N GLN A 65 -0.992 6.266 -1.285 1.00 0.00 N ATOM 949 CA GLN A 65 -1.698 5.039 -0.933 1.00 0.00 C ATOM 950 C GLN A 65 -1.568 4.000 -2.042 1.00 0.00 C ATOM 951 O GLN A 65 -2.026 4.216 -3.164 1.00 0.00 O ATOM 952 CB GLN A 65 -3.174 5.334 -0.664 1.00 0.00 C ATOM 953 CG GLN A 65 -3.442 5.884 0.728 1.00 0.00 C ATOM 954 CD GLN A 65 -4.918 6.099 0.997 1.00 0.00 C ATOM 955 OE1 GLN A 65 -5.717 6.229 0.069 1.00 0.00 O ATOM 956 NE2 GLN A 65 -5.288 6.136 2.271 1.00 0.00 N ATOM 0 H GLN A 65 -1.297 6.692 -2.160 1.00 0.00 H new ATOM 0 HA GLN A 65 -1.245 4.636 -0.027 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.533 6.050 -1.403 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.749 4.418 -0.801 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.038 5.196 1.470 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.913 6.829 0.849 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -4.592 6.024 3.008 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.269 6.277 2.513 1.00 0.00 H new ATOM 965 N ILE A 66 -0.941 2.874 -1.720 1.00 0.00 N ATOM 966 CA ILE A 66 -0.752 1.801 -2.689 1.00 0.00 C ATOM 967 C ILE A 66 -1.750 0.672 -2.460 1.00 0.00 C ATOM 968 O ILE A 66 -1.460 -0.294 -1.753 1.00 0.00 O ATOM 969 CB ILE A 66 0.677 1.230 -2.624 1.00 0.00 C ATOM 970 CG1 ILE A 66 1.705 2.361 -2.675 1.00 0.00 C ATOM 971 CG2 ILE A 66 0.906 0.247 -3.763 1.00 0.00 C ATOM 972 CD1 ILE A 66 3.096 1.933 -2.262 1.00 0.00 C ATOM 0 H ILE A 66 -0.555 2.681 -0.796 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.917 2.233 -3.676 1.00 0.00 H new ATOM 0 HB ILE A 66 0.797 0.698 -1.680 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.743 2.761 -3.688 1.00 0.00 H new ATOM 0 HG13 ILE A 66 1.375 3.171 -2.024 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.920 -0.148 -3.704 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.192 -0.573 -3.685 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.770 0.757 -4.717 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.772 2.786 -2.322 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.073 1.560 -1.238 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.447 1.144 -2.928 1.00 0.00 H new ATOM 984 N HIS A 67 -2.927 0.798 -3.064 1.00 0.00 N ATOM 985 CA HIS A 67 -3.969 -0.214 -2.929 1.00 0.00 C ATOM 986 C HIS A 67 -3.515 -1.543 -3.524 1.00 0.00 C ATOM 987 O HIS A 67 -2.881 -1.578 -4.578 1.00 0.00 O ATOM 988 CB HIS A 67 -5.254 0.252 -3.613 1.00 0.00 C ATOM 989 CG HIS A 67 -5.859 1.470 -2.985 1.00 0.00 C ATOM 990 ND1 HIS A 67 -6.767 1.411 -1.949 1.00 0.00 N ATOM 991 CD2 HIS A 67 -5.681 2.785 -3.252 1.00 0.00 C ATOM 992 CE1 HIS A 67 -7.121 2.636 -1.606 1.00 0.00 C ATOM 993 NE2 HIS A 67 -6.476 3.489 -2.382 1.00 0.00 N ATOM 0 H HIS A 67 -3.183 1.591 -3.652 1.00 0.00 H new ATOM 0 HA HIS A 67 -4.165 -0.359 -1.867 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -5.042 0.461 -4.662 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -5.983 -0.558 -3.590 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -5.034 3.203 -4.009 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -7.819 2.896 -0.824 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -6.556 4.505 -2.341 1.00 0.00 H new ATOM 1002 N ASP A 68 -3.845 -2.634 -2.841 1.00 0.00 N ATOM 1003 CA ASP A 68 -3.471 -3.967 -3.302 1.00 0.00 C ATOM 1004 C ASP A 68 -1.982 -4.218 -3.088 1.00 0.00 C ATOM 1005 O ASP A 68 -1.268 -4.606 -4.014 1.00 0.00 O ATOM 1006 CB ASP A 68 -3.822 -4.134 -4.782 1.00 0.00 C ATOM 1007 CG ASP A 68 -4.104 -5.578 -5.150 1.00 0.00 C ATOM 1008 OD1 ASP A 68 -4.548 -6.339 -4.266 1.00 0.00 O ATOM 1009 OD2 ASP A 68 -3.878 -5.947 -6.322 1.00 0.00 O ATOM 0 H ASP A 68 -4.370 -2.622 -1.967 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.031 -4.698 -2.719 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.695 -3.525 -5.016 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.000 -3.760 -5.392 1.00 0.00 H new ATOM 1014 N LEU A 69 -1.520 -3.994 -1.864 1.00 0.00 N ATOM 1015 CA LEU A 69 -0.114 -4.196 -1.528 1.00 0.00 C ATOM 1016 C LEU A 69 0.347 -5.592 -1.932 1.00 0.00 C ATOM 1017 O LEU A 69 -0.450 -6.528 -1.990 1.00 0.00 O ATOM 1018 CB LEU A 69 0.107 -3.986 -0.029 1.00 0.00 C ATOM 1019 CG LEU A 69 0.429 -2.557 0.410 1.00 0.00 C ATOM 1020 CD1 LEU A 69 0.506 -2.468 1.926 1.00 0.00 C ATOM 1021 CD2 LEU A 69 1.731 -2.087 -0.221 1.00 0.00 C ATOM 0 H LEU A 69 -2.097 -3.672 -1.087 1.00 0.00 H new ATOM 0 HA LEU A 69 0.476 -3.465 -2.082 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.789 -4.313 0.499 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.922 -4.635 0.292 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.374 -1.903 0.070 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.736 -1.444 2.219 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.451 -2.763 2.357 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.288 -3.134 2.290 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.945 -1.068 0.102 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.544 -2.744 0.089 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.639 -2.111 -1.307 1.00 0.00 H new ATOM 1033 N SER A 70 1.641 -5.725 -2.207 1.00 0.00 N ATOM 1034 CA SER A 70 2.209 -7.008 -2.607 1.00 0.00 C ATOM 1035 C SER A 70 3.704 -7.056 -2.307 1.00 0.00 C ATOM 1036 O SER A 70 4.388 -6.033 -2.332 1.00 0.00 O ATOM 1037 CB SER A 70 1.968 -7.254 -4.097 1.00 0.00 C ATOM 1038 OG SER A 70 0.681 -7.802 -4.322 1.00 0.00 O ATOM 0 H SER A 70 2.315 -4.961 -2.160 1.00 0.00 H new ATOM 0 HA SER A 70 1.715 -7.792 -2.033 1.00 0.00 H new ATOM 0 HB2 SER A 70 2.068 -6.317 -4.644 1.00 0.00 H new ATOM 0 HB3 SER A 70 2.728 -7.932 -4.484 1.00 0.00 H new ATOM 0 HG SER A 70 0.074 -7.514 -3.609 1.00 0.00 H new ATOM 1044 N VAL A 71 4.206 -8.254 -2.023 1.00 0.00 N ATOM 1045 CA VAL A 71 5.620 -8.439 -1.720 1.00 0.00 C ATOM 1046 C VAL A 71 6.499 -7.725 -2.740 1.00 0.00 C ATOM 1047 O VAL A 71 7.545 -7.176 -2.397 1.00 0.00 O ATOM 1048 CB VAL A 71 5.997 -9.932 -1.688 1.00 0.00 C ATOM 1049 CG1 VAL A 71 5.472 -10.589 -0.421 1.00 0.00 C ATOM 1050 CG2 VAL A 71 5.467 -10.641 -2.925 1.00 0.00 C ATOM 0 H VAL A 71 3.654 -9.111 -1.997 1.00 0.00 H new ATOM 0 HA VAL A 71 5.791 -8.008 -0.733 1.00 0.00 H new ATOM 0 HB VAL A 71 7.084 -10.014 -1.687 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.748 -11.643 -0.417 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.905 -10.097 0.450 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.386 -10.498 -0.387 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.742 -11.695 -2.886 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.381 -10.551 -2.959 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.897 -10.186 -3.817 1.00 0.00 H new ATOM 1060 N ALA A 72 6.066 -7.737 -3.997 1.00 0.00 N ATOM 1061 CA ALA A 72 6.812 -7.088 -5.068 1.00 0.00 C ATOM 1062 C ALA A 72 6.902 -5.583 -4.841 1.00 0.00 C ATOM 1063 O ALA A 72 7.920 -4.960 -5.141 1.00 0.00 O ATOM 1064 CB ALA A 72 6.168 -7.384 -6.414 1.00 0.00 C ATOM 0 H ALA A 72 5.203 -8.189 -4.298 1.00 0.00 H new ATOM 0 HA ALA A 72 7.825 -7.490 -5.067 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.735 -6.893 -7.205 1.00 0.00 H new ATOM 0 HB2 ALA A 72 6.163 -8.460 -6.586 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.144 -7.011 -6.417 1.00 0.00 H new ATOM 1070 N ASP A 73 5.829 -5.005 -4.312 1.00 0.00 N ATOM 1071 CA ASP A 73 5.787 -3.571 -4.045 1.00 0.00 C ATOM 1072 C ASP A 73 6.731 -3.203 -2.904 1.00 0.00 C ATOM 1073 O ASP A 73 7.200 -2.069 -2.815 1.00 0.00 O ATOM 1074 CB ASP A 73 4.361 -3.136 -3.704 1.00 0.00 C ATOM 1075 CG ASP A 73 3.524 -2.876 -4.940 1.00 0.00 C ATOM 1076 OD1 ASP A 73 3.811 -1.892 -5.654 1.00 0.00 O ATOM 1077 OD2 ASP A 73 2.581 -3.655 -5.195 1.00 0.00 O ATOM 0 H ASP A 73 4.977 -5.506 -4.060 1.00 0.00 H new ATOM 0 HA ASP A 73 6.113 -3.049 -4.945 1.00 0.00 H new ATOM 0 HB2 ASP A 73 3.883 -3.908 -3.101 1.00 0.00 H new ATOM 0 HB3 ASP A 73 4.396 -2.232 -3.096 1.00 0.00 H new ATOM 1082 N ALA A 74 7.004 -4.170 -2.034 1.00 0.00 N ATOM 1083 CA ALA A 74 7.892 -3.947 -0.899 1.00 0.00 C ATOM 1084 C ALA A 74 9.316 -3.659 -1.365 1.00 0.00 C ATOM 1085 O ALA A 74 10.058 -4.572 -1.726 1.00 0.00 O ATOM 1086 CB ALA A 74 7.873 -5.152 0.030 1.00 0.00 C ATOM 0 H ALA A 74 6.623 -5.115 -2.093 1.00 0.00 H new ATOM 0 HA ALA A 74 7.532 -3.075 -0.353 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.540 -4.972 0.873 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.859 -5.312 0.397 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.206 -6.036 -0.514 1.00 0.00 H new ATOM 1092 N GLY A 75 9.690 -2.383 -1.355 1.00 0.00 N ATOM 1093 CA GLY A 75 11.023 -1.998 -1.779 1.00 0.00 C ATOM 1094 C GLY A 75 11.447 -0.658 -1.212 1.00 0.00 C ATOM 1095 O GLY A 75 11.490 -0.477 0.004 1.00 0.00 O ATOM 0 H GLY A 75 9.094 -1.610 -1.061 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.735 -2.762 -1.468 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.057 -1.955 -2.868 1.00 0.00 H new ATOM 1099 N GLU A 76 11.763 0.284 -2.096 1.00 0.00 N ATOM 1100 CA GLU A 76 12.189 1.613 -1.675 1.00 0.00 C ATOM 1101 C GLU A 76 11.549 2.691 -2.546 1.00 0.00 C ATOM 1102 O GLU A 76 11.890 2.839 -3.720 1.00 0.00 O ATOM 1103 CB GLU A 76 13.713 1.729 -1.739 1.00 0.00 C ATOM 1104 CG GLU A 76 14.231 3.125 -1.436 1.00 0.00 C ATOM 1105 CD GLU A 76 15.728 3.250 -1.644 1.00 0.00 C ATOM 1106 OE1 GLU A 76 16.221 2.795 -2.697 1.00 0.00 O ATOM 1107 OE2 GLU A 76 16.406 3.804 -0.753 1.00 0.00 O ATOM 0 H GLU A 76 11.732 0.151 -3.107 1.00 0.00 H new ATOM 0 HA GLU A 76 11.864 1.761 -0.645 1.00 0.00 H new ATOM 0 HB2 GLU A 76 14.152 1.026 -1.031 1.00 0.00 H new ATOM 0 HB3 GLU A 76 14.050 1.433 -2.733 1.00 0.00 H new ATOM 0 HG2 GLU A 76 13.718 3.845 -2.074 1.00 0.00 H new ATOM 0 HG3 GLU A 76 13.988 3.383 -0.405 1.00 0.00 H new ATOM 1114 N TYR A 77 10.620 3.439 -1.963 1.00 0.00 N ATOM 1115 CA TYR A 77 9.929 4.501 -2.686 1.00 0.00 C ATOM 1116 C TYR A 77 10.569 5.857 -2.405 1.00 0.00 C ATOM 1117 O TYR A 77 10.587 6.323 -1.266 1.00 0.00 O ATOM 1118 CB TYR A 77 8.450 4.532 -2.298 1.00 0.00 C ATOM 1119 CG TYR A 77 7.692 3.288 -2.700 1.00 0.00 C ATOM 1120 CD1 TYR A 77 7.789 2.119 -1.954 1.00 0.00 C ATOM 1121 CD2 TYR A 77 6.879 3.279 -3.827 1.00 0.00 C ATOM 1122 CE1 TYR A 77 7.099 0.979 -2.318 1.00 0.00 C ATOM 1123 CE2 TYR A 77 6.184 2.144 -4.198 1.00 0.00 C ATOM 1124 CZ TYR A 77 6.297 0.997 -3.440 1.00 0.00 C ATOM 1125 OH TYR A 77 5.608 -0.136 -3.807 1.00 0.00 O ATOM 0 H TYR A 77 10.327 3.330 -0.992 1.00 0.00 H new ATOM 0 HA TYR A 77 10.013 4.294 -3.753 1.00 0.00 H new ATOM 0 HB2 TYR A 77 8.369 4.664 -1.219 1.00 0.00 H new ATOM 0 HB3 TYR A 77 7.980 5.399 -2.761 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.415 2.102 -1.074 1.00 0.00 H new ATOM 0 HD2 TYR A 77 6.789 4.175 -4.423 1.00 0.00 H new ATOM 0 HE1 TYR A 77 7.187 0.079 -1.728 1.00 0.00 H new ATOM 0 HE2 TYR A 77 5.556 2.155 -5.076 1.00 0.00 H new ATOM 0 HH TYR A 77 5.994 -0.915 -3.354 1.00 0.00 H new ATOM 1135 N SER A 78 11.094 6.485 -3.453 1.00 0.00 N ATOM 1136 CA SER A 78 11.738 7.786 -3.320 1.00 0.00 C ATOM 1137 C SER A 78 10.820 8.900 -3.815 1.00 0.00 C ATOM 1138 O SER A 78 10.223 8.796 -4.887 1.00 0.00 O ATOM 1139 CB SER A 78 13.054 7.809 -4.100 1.00 0.00 C ATOM 1140 OG SER A 78 13.781 6.608 -3.910 1.00 0.00 O ATOM 0 H SER A 78 11.086 6.114 -4.403 1.00 0.00 H new ATOM 0 HA SER A 78 11.947 7.954 -2.264 1.00 0.00 H new ATOM 0 HB2 SER A 78 12.849 7.949 -5.161 1.00 0.00 H new ATOM 0 HB3 SER A 78 13.657 8.658 -3.777 1.00 0.00 H new ATOM 0 HG SER A 78 14.617 6.647 -4.420 1.00 0.00 H new ATOM 1146 N CYS A 79 10.714 9.964 -3.028 1.00 0.00 N ATOM 1147 CA CYS A 79 9.869 11.098 -3.384 1.00 0.00 C ATOM 1148 C CYS A 79 10.714 12.323 -3.718 1.00 0.00 C ATOM 1149 O CYS A 79 11.436 12.841 -2.866 1.00 0.00 O ATOM 1150 CB CYS A 79 8.907 11.423 -2.241 1.00 0.00 C ATOM 1151 SG CYS A 79 7.584 12.570 -2.693 1.00 0.00 S ATOM 0 H CYS A 79 11.203 10.065 -2.139 1.00 0.00 H new ATOM 0 HA CYS A 79 9.292 10.826 -4.268 1.00 0.00 H new ATOM 0 HB2 CYS A 79 8.462 10.496 -1.880 1.00 0.00 H new ATOM 0 HB3 CYS A 79 9.474 11.848 -1.413 1.00 0.00 H new ATOM 0 HG CYS A 79 6.440 11.955 -2.641 1.00 0.00 H new ATOM 1157 N MET A 80 10.620 12.780 -4.962 1.00 0.00 N ATOM 1158 CA MET A 80 11.377 13.944 -5.408 1.00 0.00 C ATOM 1159 C MET A 80 10.544 15.215 -5.281 1.00 0.00 C ATOM 1160 O MET A 80 9.454 15.313 -5.846 1.00 0.00 O ATOM 1161 CB MET A 80 11.830 13.760 -6.858 1.00 0.00 C ATOM 1162 CG MET A 80 12.750 12.567 -7.060 1.00 0.00 C ATOM 1163 SD MET A 80 11.863 10.997 -7.065 1.00 0.00 S ATOM 1164 CE MET A 80 13.219 9.842 -7.246 1.00 0.00 C ATOM 0 H MET A 80 10.027 12.362 -5.679 1.00 0.00 H new ATOM 0 HA MET A 80 12.256 14.041 -4.770 1.00 0.00 H new ATOM 0 HB2 MET A 80 10.951 13.643 -7.492 1.00 0.00 H new ATOM 0 HB3 MET A 80 12.343 14.664 -7.187 1.00 0.00 H new ATOM 0 HG2 MET A 80 13.284 12.681 -8.003 1.00 0.00 H new ATOM 0 HG3 MET A 80 13.500 12.554 -6.269 1.00 0.00 H new ATOM 0 HE1 MET A 80 12.833 8.823 -7.230 1.00 0.00 H new ATOM 0 HE2 MET A 80 13.727 10.023 -8.193 1.00 0.00 H new ATOM 0 HE3 MET A 80 13.923 9.976 -6.425 1.00 0.00 H new ATOM 1174 N CYS A 81 11.064 16.185 -4.537 1.00 0.00 N ATOM 1175 CA CYS A 81 10.367 17.450 -4.335 1.00 0.00 C ATOM 1176 C CYS A 81 11.293 18.631 -4.607 1.00 0.00 C ATOM 1177 O CYS A 81 12.086 19.021 -3.751 1.00 0.00 O ATOM 1178 CB CYS A 81 9.820 17.534 -2.909 1.00 0.00 C ATOM 1179 SG CYS A 81 8.905 19.053 -2.557 1.00 0.00 S ATOM 0 H CYS A 81 11.965 16.120 -4.064 1.00 0.00 H new ATOM 0 HA CYS A 81 9.535 17.494 -5.038 1.00 0.00 H new ATOM 0 HB2 CYS A 81 9.167 16.680 -2.731 1.00 0.00 H new ATOM 0 HB3 CYS A 81 10.650 17.452 -2.208 1.00 0.00 H new ATOM 0 HG CYS A 81 9.722 19.957 -2.104 1.00 0.00 H new ATOM 1185 N GLY A 82 11.188 19.196 -5.806 1.00 0.00 N ATOM 1186 CA GLY A 82 12.023 20.325 -6.171 1.00 0.00 C ATOM 1187 C GLY A 82 13.461 19.922 -6.431 1.00 0.00 C ATOM 1188 O GLY A 82 13.807 19.519 -7.541 1.00 0.00 O ATOM 0 H GLY A 82 10.539 18.891 -6.531 1.00 0.00 H new ATOM 0 HA2 GLY A 82 11.615 20.801 -7.063 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.995 21.067 -5.373 1.00 0.00 H new ATOM 1192 N GLN A 83 14.300 20.032 -5.406 1.00 0.00 N ATOM 1193 CA GLN A 83 15.709 19.678 -5.531 1.00 0.00 C ATOM 1194 C GLN A 83 16.078 18.562 -4.559 1.00 0.00 C ATOM 1195 O GLN A 83 16.932 17.728 -4.855 1.00 0.00 O ATOM 1196 CB GLN A 83 16.589 20.904 -5.277 1.00 0.00 C ATOM 1197 CG GLN A 83 18.011 20.748 -5.789 1.00 0.00 C ATOM 1198 CD GLN A 83 18.072 20.531 -7.288 1.00 0.00 C ATOM 1199 OE1 GLN A 83 17.831 19.427 -7.778 1.00 0.00 O ATOM 1200 NE2 GLN A 83 18.394 21.587 -8.026 1.00 0.00 N ATOM 0 H GLN A 83 14.029 20.363 -4.480 1.00 0.00 H new ATOM 0 HA GLN A 83 15.880 19.321 -6.547 1.00 0.00 H new ATOM 0 HB2 GLN A 83 16.134 21.773 -5.753 1.00 0.00 H new ATOM 0 HB3 GLN A 83 16.617 21.105 -4.206 1.00 0.00 H new ATOM 0 HG2 GLN A 83 18.585 21.638 -5.531 1.00 0.00 H new ATOM 0 HG3 GLN A 83 18.484 19.906 -5.284 1.00 0.00 H new ATOM 0 HE21 GLN A 83 18.586 22.483 -7.578 1.00 0.00 H new ATOM 0 HE22 GLN A 83 18.450 21.502 -9.041 1.00 0.00 H new ATOM 1209 N GLU A 84 15.428 18.555 -3.400 1.00 0.00 N ATOM 1210 CA GLU A 84 15.690 17.541 -2.384 1.00 0.00 C ATOM 1211 C GLU A 84 14.996 16.228 -2.735 1.00 0.00 C ATOM 1212 O GLU A 84 14.213 16.161 -3.683 1.00 0.00 O ATOM 1213 CB GLU A 84 15.221 18.029 -1.012 1.00 0.00 C ATOM 1214 CG GLU A 84 16.022 19.203 -0.477 1.00 0.00 C ATOM 1215 CD GLU A 84 16.089 19.222 1.038 1.00 0.00 C ATOM 1216 OE1 GLU A 84 15.244 18.560 1.677 1.00 0.00 O ATOM 1217 OE2 GLU A 84 16.986 19.897 1.585 1.00 0.00 O ATOM 0 H GLU A 84 14.717 19.239 -3.141 1.00 0.00 H new ATOM 0 HA GLU A 84 16.765 17.366 -2.350 1.00 0.00 H new ATOM 0 HB2 GLU A 84 14.171 18.316 -1.077 1.00 0.00 H new ATOM 0 HB3 GLU A 84 15.283 17.204 -0.302 1.00 0.00 H new ATOM 0 HG2 GLU A 84 17.033 19.162 -0.881 1.00 0.00 H new ATOM 0 HG3 GLU A 84 15.576 20.133 -0.829 1.00 0.00 H new ATOM 1224 N ARG A 85 15.288 15.187 -1.963 1.00 0.00 N ATOM 1225 CA ARG A 85 14.694 13.875 -2.192 1.00 0.00 C ATOM 1226 C ARG A 85 14.653 13.064 -0.900 1.00 0.00 C ATOM 1227 O ARG A 85 15.488 13.244 -0.014 1.00 0.00 O ATOM 1228 CB ARG A 85 15.482 13.114 -3.260 1.00 0.00 C ATOM 1229 CG ARG A 85 14.875 11.769 -3.621 1.00 0.00 C ATOM 1230 CD ARG A 85 15.780 10.982 -4.557 1.00 0.00 C ATOM 1231 NE ARG A 85 17.092 10.731 -3.966 1.00 0.00 N ATOM 1232 CZ ARG A 85 18.104 11.588 -4.032 1.00 0.00 C ATOM 1233 NH1 ARG A 85 17.956 12.747 -4.659 1.00 0.00 N ATOM 1234 NH2 ARG A 85 19.268 11.288 -3.469 1.00 0.00 N ATOM 0 H ARG A 85 15.932 15.226 -1.173 1.00 0.00 H new ATOM 0 HA ARG A 85 13.672 14.022 -2.541 1.00 0.00 H new ATOM 0 HB2 ARG A 85 15.546 13.727 -4.159 1.00 0.00 H new ATOM 0 HB3 ARG A 85 16.502 12.960 -2.907 1.00 0.00 H new ATOM 0 HG2 ARG A 85 14.699 11.192 -2.713 1.00 0.00 H new ATOM 0 HG3 ARG A 85 13.905 11.922 -4.094 1.00 0.00 H new ATOM 0 HD2 ARG A 85 15.307 10.032 -4.806 1.00 0.00 H new ATOM 0 HD3 ARG A 85 15.902 11.531 -5.491 1.00 0.00 H new ATOM 0 HE ARG A 85 17.239 9.849 -3.476 1.00 0.00 H new ATOM 0 HH11 ARG A 85 17.063 12.982 -5.092 1.00 0.00 H new ATOM 0 HH12 ARG A 85 18.735 13.403 -4.708 1.00 0.00 H new ATOM 0 HH21 ARG A 85 19.386 10.398 -2.985 1.00 0.00 H new ATOM 0 HH22 ARG A 85 20.044 11.947 -3.521 1.00 0.00 H new ATOM 1248 N THR A 86 13.674 12.170 -0.800 1.00 0.00 N ATOM 1249 CA THR A 86 13.522 11.333 0.383 1.00 0.00 C ATOM 1250 C THR A 86 13.193 9.894 0.000 1.00 0.00 C ATOM 1251 O THR A 86 12.534 9.646 -1.009 1.00 0.00 O ATOM 1252 CB THR A 86 12.417 11.869 1.313 1.00 0.00 C ATOM 1253 OG1 THR A 86 12.368 11.092 2.515 1.00 0.00 O ATOM 1254 CG2 THR A 86 11.062 11.830 0.623 1.00 0.00 C ATOM 0 H THR A 86 12.975 12.007 -1.524 1.00 0.00 H new ATOM 0 HA THR A 86 14.475 11.357 0.911 1.00 0.00 H new ATOM 0 HB THR A 86 12.652 12.904 1.559 1.00 0.00 H new ATOM 0 HG1 THR A 86 13.167 11.271 3.053 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.298 12.213 1.299 1.00 0.00 H new ATOM 0 HG22 THR A 86 11.093 12.446 -0.275 1.00 0.00 H new ATOM 0 HG23 THR A 86 10.822 10.802 0.350 1.00 0.00 H new ATOM 1262 N SER A 87 13.657 8.950 0.812 1.00 0.00 N ATOM 1263 CA SER A 87 13.415 7.535 0.556 1.00 0.00 C ATOM 1264 C SER A 87 12.776 6.865 1.769 1.00 0.00 C ATOM 1265 O SER A 87 12.932 7.324 2.900 1.00 0.00 O ATOM 1266 CB SER A 87 14.724 6.828 0.199 1.00 0.00 C ATOM 1267 OG SER A 87 15.651 6.903 1.268 1.00 0.00 O ATOM 0 H SER A 87 14.203 9.139 1.653 1.00 0.00 H new ATOM 0 HA SER A 87 12.727 7.456 -0.286 1.00 0.00 H new ATOM 0 HB2 SER A 87 14.524 5.784 -0.040 1.00 0.00 H new ATOM 0 HB3 SER A 87 15.155 7.282 -0.693 1.00 0.00 H new ATOM 0 HG SER A 87 16.479 6.443 1.016 1.00 0.00 H new ATOM 1273 N ALA A 88 12.055 5.775 1.524 1.00 0.00 N ATOM 1274 CA ALA A 88 11.394 5.040 2.594 1.00 0.00 C ATOM 1275 C ALA A 88 11.176 3.582 2.206 1.00 0.00 C ATOM 1276 O ALA A 88 10.352 3.274 1.343 1.00 0.00 O ATOM 1277 CB ALA A 88 10.068 5.698 2.946 1.00 0.00 C ATOM 0 H ALA A 88 11.914 5.382 0.593 1.00 0.00 H new ATOM 0 HA ALA A 88 12.042 5.062 3.470 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.585 5.138 3.747 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.246 6.722 3.275 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.422 5.706 2.068 1.00 0.00 H new ATOM 1283 N THR A 89 11.920 2.685 2.846 1.00 0.00 N ATOM 1284 CA THR A 89 11.809 1.259 2.566 1.00 0.00 C ATOM 1285 C THR A 89 10.517 0.686 3.136 1.00 0.00 C ATOM 1286 O THR A 89 10.350 0.595 4.353 1.00 0.00 O ATOM 1287 CB THR A 89 13.004 0.478 3.145 1.00 0.00 C ATOM 1288 OG1 THR A 89 14.233 1.074 2.715 1.00 0.00 O ATOM 1289 CG2 THR A 89 12.960 -0.978 2.710 1.00 0.00 C ATOM 0 H THR A 89 12.606 2.922 3.562 1.00 0.00 H new ATOM 0 HA THR A 89 11.804 1.149 1.482 1.00 0.00 H new ATOM 0 HB THR A 89 12.943 0.517 4.233 1.00 0.00 H new ATOM 0 HG1 THR A 89 14.988 0.573 3.089 1.00 0.00 H new ATOM 0 HG21 THR A 89 13.814 -1.509 3.131 1.00 0.00 H new ATOM 0 HG22 THR A 89 12.037 -1.436 3.065 1.00 0.00 H new ATOM 0 HG23 THR A 89 12.998 -1.034 1.622 1.00 0.00 H new ATOM 1297 N LEU A 90 9.605 0.299 2.251 1.00 0.00 N ATOM 1298 CA LEU A 90 8.327 -0.267 2.666 1.00 0.00 C ATOM 1299 C LEU A 90 8.435 -1.778 2.851 1.00 0.00 C ATOM 1300 O LEU A 90 9.020 -2.476 2.022 1.00 0.00 O ATOM 1301 CB LEU A 90 7.244 0.056 1.635 1.00 0.00 C ATOM 1302 CG LEU A 90 5.935 -0.722 1.770 1.00 0.00 C ATOM 1303 CD1 LEU A 90 4.989 -0.013 2.727 1.00 0.00 C ATOM 1304 CD2 LEU A 90 5.280 -0.905 0.409 1.00 0.00 C ATOM 0 H LEU A 90 9.727 0.367 1.241 1.00 0.00 H new ATOM 0 HA LEU A 90 8.054 0.179 3.622 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.018 1.121 1.696 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.651 -0.127 0.641 1.00 0.00 H new ATOM 0 HG LEU A 90 6.161 -1.707 2.178 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.063 -0.581 2.811 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.456 0.066 3.709 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.769 0.985 2.349 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.350 -1.461 0.525 1.00 0.00 H new ATOM 0 HD22 LEU A 90 5.068 0.071 -0.027 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.953 -1.457 -0.247 1.00 0.00 H new ATOM 1316 N THR A 91 7.865 -2.277 3.943 1.00 0.00 N ATOM 1317 CA THR A 91 7.896 -3.705 4.236 1.00 0.00 C ATOM 1318 C THR A 91 6.532 -4.344 4.000 1.00 0.00 C ATOM 1319 O THR A 91 5.516 -3.868 4.506 1.00 0.00 O ATOM 1320 CB THR A 91 8.329 -3.970 5.690 1.00 0.00 C ATOM 1321 OG1 THR A 91 9.492 -3.196 6.004 1.00 0.00 O ATOM 1322 CG2 THR A 91 8.624 -5.447 5.906 1.00 0.00 C ATOM 0 H THR A 91 7.376 -1.714 4.639 1.00 0.00 H new ATOM 0 HA THR A 91 8.625 -4.151 3.560 1.00 0.00 H new ATOM 0 HB THR A 91 7.510 -3.679 6.348 1.00 0.00 H new ATOM 0 HG1 THR A 91 9.760 -3.369 6.931 1.00 0.00 H new ATOM 0 HG21 THR A 91 8.928 -5.610 6.940 1.00 0.00 H new ATOM 0 HG22 THR A 91 7.729 -6.032 5.694 1.00 0.00 H new ATOM 0 HG23 THR A 91 9.427 -5.759 5.238 1.00 0.00 H new ATOM 1330 N VAL A 92 6.517 -5.426 3.228 1.00 0.00 N ATOM 1331 CA VAL A 92 5.278 -6.133 2.926 1.00 0.00 C ATOM 1332 C VAL A 92 5.356 -7.591 3.363 1.00 0.00 C ATOM 1333 O VAL A 92 6.274 -8.316 2.978 1.00 0.00 O ATOM 1334 CB VAL A 92 4.951 -6.075 1.422 1.00 0.00 C ATOM 1335 CG1 VAL A 92 3.654 -6.813 1.129 1.00 0.00 C ATOM 1336 CG2 VAL A 92 4.871 -4.631 0.950 1.00 0.00 C ATOM 0 H VAL A 92 7.349 -5.832 2.800 1.00 0.00 H new ATOM 0 HA VAL A 92 4.485 -5.633 3.482 1.00 0.00 H new ATOM 0 HB VAL A 92 5.753 -6.568 0.874 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.439 -6.761 0.062 1.00 0.00 H new ATOM 0 HG12 VAL A 92 3.753 -7.856 1.429 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.839 -6.351 1.686 1.00 0.00 H new ATOM 0 HG21 VAL A 92 4.639 -4.609 -0.115 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.089 -4.110 1.503 1.00 0.00 H new ATOM 0 HG23 VAL A 92 5.828 -4.138 1.124 1.00 0.00 H new ATOM 1346 N ARG A 93 4.388 -8.015 4.168 1.00 0.00 N ATOM 1347 CA ARG A 93 4.347 -9.388 4.658 1.00 0.00 C ATOM 1348 C ARG A 93 3.409 -10.241 3.808 1.00 0.00 C ATOM 1349 O ARG A 93 2.191 -10.078 3.857 1.00 0.00 O ATOM 1350 CB ARG A 93 3.897 -9.417 6.119 1.00 0.00 C ATOM 1351 CG ARG A 93 5.027 -9.185 7.109 1.00 0.00 C ATOM 1352 CD ARG A 93 4.511 -9.123 8.539 1.00 0.00 C ATOM 1353 NE ARG A 93 4.166 -10.445 9.054 1.00 0.00 N ATOM 1354 CZ ARG A 93 3.724 -10.661 10.288 1.00 0.00 C ATOM 1355 NH1 ARG A 93 3.574 -9.646 11.129 1.00 0.00 N ATOM 1356 NH2 ARG A 93 3.432 -11.893 10.683 1.00 0.00 N ATOM 0 H ARG A 93 3.621 -7.428 4.495 1.00 0.00 H new ATOM 0 HA ARG A 93 5.352 -9.803 4.586 1.00 0.00 H new ATOM 0 HB2 ARG A 93 3.131 -8.656 6.270 1.00 0.00 H new ATOM 0 HB3 ARG A 93 3.434 -10.381 6.329 1.00 0.00 H new ATOM 0 HG2 ARG A 93 5.760 -9.986 7.020 1.00 0.00 H new ATOM 0 HG3 ARG A 93 5.540 -8.255 6.866 1.00 0.00 H new ATOM 0 HD2 ARG A 93 5.269 -8.671 9.179 1.00 0.00 H new ATOM 0 HD3 ARG A 93 3.634 -8.478 8.580 1.00 0.00 H new ATOM 0 HE ARG A 93 4.270 -11.247 8.432 1.00 0.00 H new ATOM 0 HH11 ARG A 93 3.798 -8.697 10.829 1.00 0.00 H new ATOM 0 HH12 ARG A 93 3.234 -9.814 12.076 1.00 0.00 H new ATOM 0 HH21 ARG A 93 3.547 -12.676 10.039 1.00 0.00 H new ATOM 0 HH22 ARG A 93 3.093 -12.058 11.631 1.00 0.00 H new ATOM 1370 N ALA A 94 3.987 -11.150 3.030 1.00 0.00 N ATOM 1371 CA ALA A 94 3.203 -12.029 2.171 1.00 0.00 C ATOM 1372 C ALA A 94 2.115 -12.745 2.965 1.00 0.00 C ATOM 1373 O ALA A 94 2.157 -12.788 4.195 1.00 0.00 O ATOM 1374 CB ALA A 94 4.109 -13.040 1.484 1.00 0.00 C ATOM 0 H ALA A 94 4.995 -11.297 2.977 1.00 0.00 H new ATOM 0 HA ALA A 94 2.718 -11.416 1.411 1.00 0.00 H new ATOM 0 HB1 ALA A 94 3.511 -13.690 0.846 1.00 0.00 H new ATOM 0 HB2 ALA A 94 4.846 -12.514 0.877 1.00 0.00 H new ATOM 0 HB3 ALA A 94 4.620 -13.641 2.236 1.00 0.00 H new ATOM 1380 N LEU A 95 1.142 -13.304 2.254 1.00 0.00 N ATOM 1381 CA LEU A 95 0.042 -14.018 2.892 1.00 0.00 C ATOM 1382 C LEU A 95 0.550 -15.247 3.639 1.00 0.00 C ATOM 1383 O LEU A 95 1.609 -15.796 3.333 1.00 0.00 O ATOM 1384 CB LEU A 95 -0.996 -14.435 1.848 1.00 0.00 C ATOM 1385 CG LEU A 95 -1.886 -13.317 1.304 1.00 0.00 C ATOM 1386 CD1 LEU A 95 -3.152 -13.895 0.691 1.00 0.00 C ATOM 1387 CD2 LEU A 95 -2.230 -12.325 2.406 1.00 0.00 C ATOM 0 H LEU A 95 1.093 -13.277 1.236 1.00 0.00 H new ATOM 0 HA LEU A 95 -0.425 -13.346 3.612 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -0.474 -14.897 1.010 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -1.636 -15.201 2.286 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.337 -12.788 0.525 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.774 -13.085 0.309 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.887 -14.566 -0.126 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.704 -14.449 1.450 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.864 -11.536 2.001 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -2.760 -12.840 3.207 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -1.313 -11.887 2.800 1.00 0.00 H new