USER MOD reduce.3.24.130724 H: found=0, std=0, add=385, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 386 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -3.8! C(o=-3.8!,f=-11!) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS :FLIP no HD1:sc= -0.684 F(o=-1.8!,f=-0.68) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -0.257 K(o=-0.26,f=-2.8) USER MOD Single : A 57 ASN : amide:sc= -1.65 K(o=-1.7,f=-13!) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 88 N ALA A 9 -0.230 -7.842 -2.059 1.00 0.00 N ATOM 89 CA ALA A 9 -0.861 -6.790 -2.846 1.00 0.00 C ATOM 90 C ALA A 9 -1.467 -5.719 -1.946 1.00 0.00 C ATOM 91 O ALA A 9 -2.304 -6.013 -1.093 1.00 0.00 O ATOM 92 CB ALA A 9 -1.926 -7.380 -3.758 1.00 0.00 C ATOM 0 HA ALA A 9 -0.093 -6.319 -3.460 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.389 -6.583 -4.340 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.467 -8.103 -4.433 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.686 -7.878 -3.156 1.00 0.00 H new ATOM 98 N ALA A 10 -1.037 -4.477 -2.140 1.00 0.00 N ATOM 99 CA ALA A 10 -1.539 -3.362 -1.346 1.00 0.00 C ATOM 100 C ALA A 10 -1.897 -2.174 -2.232 1.00 0.00 C ATOM 101 O ALA A 10 -1.071 -1.696 -3.010 1.00 0.00 O ATOM 102 CB ALA A 10 -0.510 -2.953 -0.302 1.00 0.00 C ATOM 0 H ALA A 10 -0.342 -4.217 -2.840 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.446 -3.689 -0.838 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.898 -2.120 0.284 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.306 -3.796 0.358 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.412 -2.650 -0.799 1.00 0.00 H new ATOM 108 N ARG A 11 -3.133 -1.702 -2.110 1.00 0.00 N ATOM 109 CA ARG A 11 -3.601 -0.571 -2.902 1.00 0.00 C ATOM 110 C ARG A 11 -3.383 0.742 -2.155 1.00 0.00 C ATOM 111 O ARG A 11 -3.625 0.832 -0.951 1.00 0.00 O ATOM 112 CB ARG A 11 -5.083 -0.737 -3.241 1.00 0.00 C ATOM 113 CG ARG A 11 -5.649 0.403 -4.072 1.00 0.00 C ATOM 114 CD ARG A 11 -6.999 0.039 -4.672 1.00 0.00 C ATOM 115 NE ARG A 11 -8.089 0.220 -3.717 1.00 0.00 N ATOM 116 CZ ARG A 11 -9.352 0.421 -4.073 1.00 0.00 C ATOM 117 NH1 ARG A 11 -9.684 0.466 -5.356 1.00 0.00 N ATOM 118 NH2 ARG A 11 -10.288 0.578 -3.145 1.00 0.00 N ATOM 0 H ARG A 11 -3.829 -2.085 -1.470 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.025 -0.544 -3.827 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.221 -1.673 -3.782 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.652 -0.818 -2.315 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.754 1.291 -3.449 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.951 0.654 -4.870 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.182 0.655 -5.552 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.979 -0.998 -5.007 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.868 0.190 -2.722 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.968 0.346 -6.073 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.655 0.621 -5.626 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.037 0.544 -2.157 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.258 0.732 -3.420 1.00 0.00 H new ATOM 132 N LEU A 12 -2.925 1.758 -2.878 1.00 0.00 N ATOM 133 CA LEU A 12 -2.673 3.067 -2.285 1.00 0.00 C ATOM 134 C LEU A 12 -3.983 3.762 -1.924 1.00 0.00 C ATOM 135 O LEU A 12 -4.699 4.253 -2.796 1.00 0.00 O ATOM 136 CB LEU A 12 -1.869 3.940 -3.250 1.00 0.00 C ATOM 137 CG LEU A 12 -0.353 3.740 -3.231 1.00 0.00 C ATOM 138 CD1 LEU A 12 0.235 4.237 -1.919 1.00 0.00 C ATOM 139 CD2 LEU A 12 -0.006 2.275 -3.452 1.00 0.00 C ATOM 0 H LEU A 12 -2.721 1.701 -3.876 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.097 2.920 -1.372 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.227 3.753 -4.262 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.080 4.985 -3.025 1.00 0.00 H new ATOM 0 HG LEU A 12 0.081 4.322 -4.044 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.315 4.086 -1.924 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.017 5.299 -1.802 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.205 3.683 -1.090 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.077 2.151 -3.435 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.452 1.672 -2.661 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.394 1.951 -4.418 1.00 0.00 H new ATOM 151 N LYS A 13 -4.289 3.800 -0.631 1.00 0.00 N ATOM 152 CA LYS A 13 -5.510 4.438 -0.153 1.00 0.00 C ATOM 153 C LYS A 13 -5.693 5.811 -0.792 1.00 0.00 C ATOM 154 O LYS A 13 -6.810 6.323 -0.875 1.00 0.00 O ATOM 155 CB LYS A 13 -5.475 4.573 1.371 1.00 0.00 C ATOM 156 CG LYS A 13 -5.943 3.327 2.103 1.00 0.00 C ATOM 157 CD LYS A 13 -7.441 3.359 2.357 1.00 0.00 C ATOM 158 CE LYS A 13 -7.802 4.368 3.437 1.00 0.00 C ATOM 159 NZ LYS A 13 -9.266 4.391 3.708 1.00 0.00 N ATOM 0 H LYS A 13 -3.708 3.397 0.104 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.354 3.810 -0.437 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.457 4.807 1.683 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.101 5.415 1.667 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.691 2.443 1.517 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.414 3.241 3.052 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.962 3.611 1.433 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.782 2.368 2.655 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.267 4.125 4.355 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.474 5.361 3.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.471 5.091 4.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.776 4.648 2.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.575 3.450 4.025 1.00 0.00 H new ATOM 173 N PHE A 14 -4.591 6.400 -1.243 1.00 0.00 N ATOM 174 CA PHE A 14 -4.631 7.714 -1.875 1.00 0.00 C ATOM 175 C PHE A 14 -3.389 7.944 -2.730 1.00 0.00 C ATOM 176 O PHE A 14 -2.441 7.158 -2.692 1.00 0.00 O ATOM 177 CB PHE A 14 -4.744 8.811 -0.814 1.00 0.00 C ATOM 178 CG PHE A 14 -5.842 8.570 0.182 1.00 0.00 C ATOM 179 CD1 PHE A 14 -7.153 8.908 -0.116 1.00 0.00 C ATOM 180 CD2 PHE A 14 -5.565 8.006 1.417 1.00 0.00 C ATOM 181 CE1 PHE A 14 -8.165 8.689 0.799 1.00 0.00 C ATOM 182 CE2 PHE A 14 -6.573 7.784 2.336 1.00 0.00 C ATOM 183 CZ PHE A 14 -7.875 8.125 2.026 1.00 0.00 C ATOM 0 H PHE A 14 -3.659 5.989 -1.183 1.00 0.00 H new ATOM 0 HA PHE A 14 -5.508 7.752 -2.521 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.795 8.892 -0.284 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.916 9.767 -1.308 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.386 9.348 -1.075 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -4.549 7.737 1.664 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -9.182 8.959 0.555 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -6.343 7.344 3.295 1.00 0.00 H new ATOM 0 HZ PHE A 14 -8.665 7.951 2.742 1.00 0.00 H new ATOM 193 N ASP A 15 -3.401 9.025 -3.501 1.00 0.00 N ATOM 194 CA ASP A 15 -2.275 9.360 -4.366 1.00 0.00 C ATOM 195 C ASP A 15 -1.080 9.833 -3.544 1.00 0.00 C ATOM 196 O ASP A 15 -1.196 10.749 -2.730 1.00 0.00 O ATOM 197 CB ASP A 15 -2.680 10.442 -5.369 1.00 0.00 C ATOM 198 CG ASP A 15 -3.440 11.580 -4.718 1.00 0.00 C ATOM 199 OD1 ASP A 15 -4.626 11.384 -4.380 1.00 0.00 O ATOM 200 OD2 ASP A 15 -2.849 12.668 -4.547 1.00 0.00 O ATOM 0 H ASP A 15 -4.178 9.685 -3.545 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.986 8.461 -4.910 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -1.787 10.836 -5.854 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -3.297 9.997 -6.150 1.00 0.00 H new ATOM 205 N PHE A 16 0.068 9.200 -3.762 1.00 0.00 N ATOM 206 CA PHE A 16 1.285 9.554 -3.040 1.00 0.00 C ATOM 207 C PHE A 16 2.260 10.297 -3.949 1.00 0.00 C ATOM 208 O PHE A 16 2.746 9.745 -4.936 1.00 0.00 O ATOM 209 CB PHE A 16 1.952 8.298 -2.475 1.00 0.00 C ATOM 210 CG PHE A 16 3.327 8.546 -1.924 1.00 0.00 C ATOM 211 CD1 PHE A 16 3.494 9.083 -0.658 1.00 0.00 C ATOM 212 CD2 PHE A 16 4.453 8.242 -2.672 1.00 0.00 C ATOM 213 CE1 PHE A 16 4.758 9.312 -0.149 1.00 0.00 C ATOM 214 CE2 PHE A 16 5.719 8.469 -2.168 1.00 0.00 C ATOM 215 CZ PHE A 16 5.872 9.004 -0.904 1.00 0.00 C ATOM 0 H PHE A 16 0.181 8.440 -4.432 1.00 0.00 H new ATOM 0 HA PHE A 16 1.010 10.213 -2.216 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.322 7.885 -1.687 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.014 7.545 -3.260 1.00 0.00 H new ATOM 0 HD1 PHE A 16 2.626 9.325 -0.062 1.00 0.00 H new ATOM 0 HD2 PHE A 16 4.340 7.823 -3.661 1.00 0.00 H new ATOM 0 HE1 PHE A 16 4.874 9.732 0.839 1.00 0.00 H new ATOM 0 HE2 PHE A 16 6.588 8.228 -2.762 1.00 0.00 H new ATOM 0 HZ PHE A 16 6.861 9.181 -0.507 1.00 0.00 H new ATOM 225 N GLN A 17 2.541 11.550 -3.608 1.00 0.00 N ATOM 226 CA GLN A 17 3.456 12.369 -4.394 1.00 0.00 C ATOM 227 C GLN A 17 4.861 12.337 -3.800 1.00 0.00 C ATOM 228 O GLN A 17 5.086 12.817 -2.690 1.00 0.00 O ATOM 229 CB GLN A 17 2.952 13.811 -4.465 1.00 0.00 C ATOM 230 CG GLN A 17 3.630 14.640 -5.544 1.00 0.00 C ATOM 231 CD GLN A 17 4.947 15.233 -5.084 1.00 0.00 C ATOM 232 OE1 GLN A 17 5.958 14.536 -4.998 1.00 0.00 O ATOM 233 NE2 GLN A 17 4.941 16.527 -4.785 1.00 0.00 N ATOM 0 H GLN A 17 2.148 12.020 -2.793 1.00 0.00 H new ATOM 0 HA GLN A 17 3.497 11.957 -5.402 1.00 0.00 H new ATOM 0 HB2 GLN A 17 1.877 13.803 -4.646 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.109 14.290 -3.498 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.804 14.016 -6.421 1.00 0.00 H new ATOM 0 HG3 GLN A 17 2.962 15.444 -5.852 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.080 17.066 -4.871 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.798 16.981 -4.469 1.00 0.00 H new ATOM 242 N ALA A 18 5.801 11.768 -4.547 1.00 0.00 N ATOM 243 CA ALA A 18 7.184 11.675 -4.095 1.00 0.00 C ATOM 244 C ALA A 18 8.001 12.867 -4.580 1.00 0.00 C ATOM 245 O ALA A 18 8.151 13.079 -5.783 1.00 0.00 O ATOM 246 CB ALA A 18 7.809 10.373 -4.573 1.00 0.00 C ATOM 0 H ALA A 18 5.630 11.364 -5.468 1.00 0.00 H new ATOM 0 HA ALA A 18 7.186 11.687 -3.005 1.00 0.00 H new ATOM 0 HB1 ALA A 18 8.842 10.317 -4.228 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.246 9.530 -4.172 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.788 10.338 -5.662 1.00 0.00 H new ATOM 252 N GLN A 19 8.527 13.642 -3.637 1.00 0.00 N ATOM 253 CA GLN A 19 9.328 14.814 -3.971 1.00 0.00 C ATOM 254 C GLN A 19 10.759 14.414 -4.317 1.00 0.00 C ATOM 255 O GLN A 19 11.416 15.065 -5.130 1.00 0.00 O ATOM 256 CB GLN A 19 9.330 15.805 -2.806 1.00 0.00 C ATOM 257 CG GLN A 19 10.193 17.032 -3.053 1.00 0.00 C ATOM 258 CD GLN A 19 9.541 18.023 -3.998 1.00 0.00 C ATOM 259 OE1 GLN A 19 8.706 18.830 -3.591 1.00 0.00 O ATOM 260 NE2 GLN A 19 9.921 17.966 -5.269 1.00 0.00 N ATOM 0 H GLN A 19 8.413 13.480 -2.636 1.00 0.00 H new ATOM 0 HA GLN A 19 8.882 15.291 -4.844 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.306 16.124 -2.610 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.683 15.297 -1.908 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.399 17.524 -2.102 1.00 0.00 H new ATOM 0 HG3 GLN A 19 11.153 16.720 -3.465 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.617 17.281 -5.563 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.517 18.608 -5.951 1.00 0.00 H new ATOM 269 N SER A 20 11.235 13.341 -3.694 1.00 0.00 N ATOM 270 CA SER A 20 12.590 12.857 -3.933 1.00 0.00 C ATOM 271 C SER A 20 12.591 11.728 -4.959 1.00 0.00 C ATOM 272 O SER A 20 11.599 11.023 -5.144 1.00 0.00 O ATOM 273 CB SER A 20 13.220 12.374 -2.625 1.00 0.00 C ATOM 274 OG SER A 20 13.472 13.458 -1.749 1.00 0.00 O ATOM 0 H SER A 20 10.703 12.790 -3.020 1.00 0.00 H new ATOM 0 HA SER A 20 13.180 13.684 -4.328 1.00 0.00 H new ATOM 0 HB2 SER A 20 12.556 11.658 -2.141 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.152 11.851 -2.838 1.00 0.00 H new ATOM 0 HG SER A 20 13.873 13.122 -0.920 1.00 0.00 H new ATOM 280 N PRO A 21 13.731 11.552 -5.643 1.00 0.00 N ATOM 281 CA PRO A 21 13.890 10.511 -6.662 1.00 0.00 C ATOM 282 C PRO A 21 13.921 9.110 -6.059 1.00 0.00 C ATOM 283 O PRO A 21 13.440 8.152 -6.664 1.00 0.00 O ATOM 284 CB PRO A 21 15.239 10.846 -7.305 1.00 0.00 C ATOM 285 CG PRO A 21 15.986 11.588 -6.251 1.00 0.00 C ATOM 286 CD PRO A 21 14.953 12.356 -5.474 1.00 0.00 C ATOM 0 HA PRO A 21 13.058 10.500 -7.366 1.00 0.00 H new ATOM 0 HB2 PRO A 21 15.770 9.943 -7.605 1.00 0.00 H new ATOM 0 HB3 PRO A 21 15.111 11.453 -8.201 1.00 0.00 H new ATOM 0 HG2 PRO A 21 16.531 10.902 -5.603 1.00 0.00 H new ATOM 0 HG3 PRO A 21 16.721 12.260 -6.694 1.00 0.00 H new ATOM 0 HD2 PRO A 21 15.229 12.451 -4.424 1.00 0.00 H new ATOM 0 HD3 PRO A 21 14.826 13.366 -5.863 1.00 0.00 H new ATOM 294 N LYS A 22 14.489 8.998 -4.864 1.00 0.00 N ATOM 295 CA LYS A 22 14.581 7.715 -4.177 1.00 0.00 C ATOM 296 C LYS A 22 13.194 7.186 -3.823 1.00 0.00 C ATOM 297 O LYS A 22 12.969 5.977 -3.800 1.00 0.00 O ATOM 298 CB LYS A 22 15.425 7.851 -2.908 1.00 0.00 C ATOM 299 CG LYS A 22 16.197 6.592 -2.553 1.00 0.00 C ATOM 300 CD LYS A 22 15.277 5.504 -2.026 1.00 0.00 C ATOM 301 CE LYS A 22 15.993 4.601 -1.034 1.00 0.00 C ATOM 302 NZ LYS A 22 16.868 3.608 -1.718 1.00 0.00 N ATOM 0 H LYS A 22 14.893 9.781 -4.350 1.00 0.00 H new ATOM 0 HA LYS A 22 15.061 7.005 -4.851 1.00 0.00 H new ATOM 0 HB2 LYS A 22 16.128 8.674 -3.036 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.773 8.115 -2.075 1.00 0.00 H new ATOM 0 HG2 LYS A 22 16.726 6.228 -3.434 1.00 0.00 H new ATOM 0 HG3 LYS A 22 16.952 6.826 -1.803 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.411 5.959 -1.546 1.00 0.00 H new ATOM 0 HD3 LYS A 22 14.903 4.908 -2.858 1.00 0.00 H new ATOM 0 HE2 LYS A 22 16.594 5.209 -0.358 1.00 0.00 H new ATOM 0 HE3 LYS A 22 15.258 4.077 -0.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 17.338 3.012 -1.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 16.291 3.011 -2.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 17.586 4.107 -2.280 1.00 0.00 H new ATOM 316 N GLU A 23 12.269 8.101 -3.549 1.00 0.00 N ATOM 317 CA GLU A 23 10.905 7.726 -3.197 1.00 0.00 C ATOM 318 C GLU A 23 10.177 7.133 -4.399 1.00 0.00 C ATOM 319 O GLU A 23 10.553 7.372 -5.548 1.00 0.00 O ATOM 320 CB GLU A 23 10.138 8.940 -2.670 1.00 0.00 C ATOM 321 CG GLU A 23 10.295 9.157 -1.174 1.00 0.00 C ATOM 322 CD GLU A 23 9.685 10.465 -0.707 1.00 0.00 C ATOM 323 OE1 GLU A 23 8.472 10.665 -0.927 1.00 0.00 O ATOM 324 OE2 GLU A 23 10.420 11.287 -0.122 1.00 0.00 O ATOM 0 H GLU A 23 12.440 9.107 -3.564 1.00 0.00 H new ATOM 0 HA GLU A 23 10.954 6.969 -2.414 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.480 9.831 -3.196 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.080 8.819 -2.902 1.00 0.00 H new ATOM 0 HG2 GLU A 23 9.826 8.331 -0.640 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.354 9.142 -0.918 1.00 0.00 H new ATOM 331 N LEU A 24 9.132 6.358 -4.128 1.00 0.00 N ATOM 332 CA LEU A 24 8.350 5.729 -5.186 1.00 0.00 C ATOM 333 C LEU A 24 7.077 6.522 -5.467 1.00 0.00 C ATOM 334 O LEU A 24 6.282 6.781 -4.563 1.00 0.00 O ATOM 335 CB LEU A 24 7.995 4.292 -4.801 1.00 0.00 C ATOM 336 CG LEU A 24 7.844 3.305 -5.958 1.00 0.00 C ATOM 337 CD1 LEU A 24 7.523 1.913 -5.435 1.00 0.00 C ATOM 338 CD2 LEU A 24 6.765 3.775 -6.923 1.00 0.00 C ATOM 0 H LEU A 24 8.807 6.150 -3.184 1.00 0.00 H new ATOM 0 HA LEU A 24 8.956 5.716 -6.092 1.00 0.00 H new ATOM 0 HB2 LEU A 24 8.766 3.917 -4.128 1.00 0.00 H new ATOM 0 HB3 LEU A 24 7.061 4.308 -4.239 1.00 0.00 H new ATOM 0 HG LEU A 24 8.791 3.259 -6.496 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.419 1.224 -6.273 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.329 1.574 -4.785 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.590 1.942 -4.872 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.671 3.060 -7.740 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.814 3.851 -6.396 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.036 4.751 -7.324 1.00 0.00 H new ATOM 350 N THR A 25 6.889 6.903 -6.726 1.00 0.00 N ATOM 351 CA THR A 25 5.712 7.664 -7.126 1.00 0.00 C ATOM 352 C THR A 25 4.516 6.748 -7.358 1.00 0.00 C ATOM 353 O THR A 25 4.505 5.951 -8.296 1.00 0.00 O ATOM 354 CB THR A 25 5.978 8.476 -8.408 1.00 0.00 C ATOM 355 OG1 THR A 25 7.170 9.256 -8.256 1.00 0.00 O ATOM 356 CG2 THR A 25 4.804 9.392 -8.722 1.00 0.00 C ATOM 0 H THR A 25 7.537 6.697 -7.487 1.00 0.00 H new ATOM 0 HA THR A 25 5.487 8.350 -6.309 1.00 0.00 H new ATOM 0 HB THR A 25 6.105 7.777 -9.234 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.333 9.768 -9.076 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.015 9.955 -9.631 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.904 8.794 -8.866 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.651 10.084 -7.894 1.00 0.00 H new ATOM 364 N LEU A 26 3.511 6.867 -6.498 1.00 0.00 N ATOM 365 CA LEU A 26 2.308 6.048 -6.609 1.00 0.00 C ATOM 366 C LEU A 26 1.067 6.922 -6.755 1.00 0.00 C ATOM 367 O LEU A 26 1.116 8.130 -6.525 1.00 0.00 O ATOM 368 CB LEU A 26 2.168 5.144 -5.383 1.00 0.00 C ATOM 369 CG LEU A 26 3.406 4.332 -5.003 1.00 0.00 C ATOM 370 CD1 LEU A 26 3.446 4.091 -3.502 1.00 0.00 C ATOM 371 CD2 LEU A 26 3.429 3.011 -5.757 1.00 0.00 C ATOM 0 H LEU A 26 3.505 7.522 -5.716 1.00 0.00 H new ATOM 0 HA LEU A 26 2.401 5.428 -7.501 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.888 5.763 -4.530 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.344 4.452 -5.559 1.00 0.00 H new ATOM 0 HG LEU A 26 4.291 4.903 -5.283 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.334 3.511 -3.250 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.477 5.048 -2.981 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.555 3.541 -3.198 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.317 2.446 -5.474 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.538 2.435 -5.508 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.448 3.205 -6.830 1.00 0.00 H new ATOM 383 N GLN A 27 -0.045 6.303 -7.139 1.00 0.00 N ATOM 384 CA GLN A 27 -1.299 7.025 -7.314 1.00 0.00 C ATOM 385 C GLN A 27 -2.456 6.271 -6.666 1.00 0.00 C ATOM 386 O GLN A 27 -2.305 5.125 -6.243 1.00 0.00 O ATOM 387 CB GLN A 27 -1.585 7.240 -8.802 1.00 0.00 C ATOM 388 CG GLN A 27 -0.749 8.345 -9.427 1.00 0.00 C ATOM 389 CD GLN A 27 -0.885 8.396 -10.936 1.00 0.00 C ATOM 390 OE1 GLN A 27 -1.983 8.568 -11.467 1.00 0.00 O ATOM 391 NE2 GLN A 27 0.233 8.247 -11.637 1.00 0.00 N ATOM 0 H GLN A 27 -0.103 5.304 -7.335 1.00 0.00 H new ATOM 0 HA GLN A 27 -1.202 7.995 -6.826 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -1.401 6.309 -9.338 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -2.641 7.478 -8.930 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.049 9.305 -9.006 1.00 0.00 H new ATOM 0 HG3 GLN A 27 0.298 8.195 -9.165 1.00 0.00 H new ATOM 0 HE21 GLN A 27 1.122 8.107 -11.156 1.00 0.00 H new ATOM 0 HE22 GLN A 27 0.203 8.273 -12.656 1.00 0.00 H new ATOM 400 N LYS A 28 -3.612 6.923 -6.592 1.00 0.00 N ATOM 401 CA LYS A 28 -4.796 6.315 -5.996 1.00 0.00 C ATOM 402 C LYS A 28 -5.250 5.103 -6.803 1.00 0.00 C ATOM 403 O LYS A 28 -5.858 5.243 -7.863 1.00 0.00 O ATOM 404 CB LYS A 28 -5.931 7.338 -5.911 1.00 0.00 C ATOM 405 CG LYS A 28 -7.264 6.735 -5.501 1.00 0.00 C ATOM 406 CD LYS A 28 -7.441 6.747 -3.992 1.00 0.00 C ATOM 407 CE LYS A 28 -8.879 6.448 -3.598 1.00 0.00 C ATOM 408 NZ LYS A 28 -9.155 4.984 -3.575 1.00 0.00 N ATOM 0 H LYS A 28 -3.754 7.872 -6.937 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.537 5.984 -4.990 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.657 8.113 -5.196 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.044 7.824 -6.880 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.076 7.293 -5.968 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.329 5.711 -5.868 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.778 6.009 -3.541 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.149 7.721 -3.598 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.081 6.871 -2.614 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.557 6.934 -4.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.145 4.822 -3.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.986 4.584 -4.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.526 4.523 -2.887 1.00 0.00 H new ATOM 422 N GLY A 29 -4.950 3.912 -6.293 1.00 0.00 N ATOM 423 CA GLY A 29 -5.336 2.693 -6.979 1.00 0.00 C ATOM 424 C GLY A 29 -4.155 1.989 -7.619 1.00 0.00 C ATOM 425 O GLY A 29 -4.200 1.633 -8.796 1.00 0.00 O ATOM 0 H GLY A 29 -4.447 3.770 -5.417 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -5.817 2.018 -6.271 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.074 2.929 -7.746 1.00 0.00 H new ATOM 429 N ASP A 30 -3.096 1.789 -6.842 1.00 0.00 N ATOM 430 CA ASP A 30 -1.898 1.123 -7.340 1.00 0.00 C ATOM 431 C ASP A 30 -1.516 -0.050 -6.443 1.00 0.00 C ATOM 432 O ASP A 30 -1.410 0.095 -5.225 1.00 0.00 O ATOM 433 CB ASP A 30 -0.737 2.115 -7.425 1.00 0.00 C ATOM 434 CG ASP A 30 -0.763 2.928 -8.704 1.00 0.00 C ATOM 435 OD1 ASP A 30 -0.966 2.332 -9.783 1.00 0.00 O ATOM 436 OD2 ASP A 30 -0.581 4.161 -8.627 1.00 0.00 O ATOM 0 H ASP A 30 -3.043 2.078 -5.865 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.113 0.739 -8.337 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -0.775 2.789 -6.569 1.00 0.00 H new ATOM 0 HB3 ASP A 30 0.206 1.572 -7.362 1.00 0.00 H new ATOM 441 N ILE A 31 -1.313 -1.213 -7.054 1.00 0.00 N ATOM 442 CA ILE A 31 -0.943 -2.411 -6.310 1.00 0.00 C ATOM 443 C ILE A 31 0.506 -2.801 -6.581 1.00 0.00 C ATOM 444 O ILE A 31 0.960 -2.788 -7.725 1.00 0.00 O ATOM 445 CB ILE A 31 -1.857 -3.599 -6.666 1.00 0.00 C ATOM 446 CG1 ILE A 31 -3.293 -3.316 -6.221 1.00 0.00 C ATOM 447 CG2 ILE A 31 -1.339 -4.877 -6.023 1.00 0.00 C ATOM 448 CD1 ILE A 31 -4.035 -2.368 -7.137 1.00 0.00 C ATOM 0 H ILE A 31 -1.398 -1.351 -8.061 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.062 -2.175 -5.253 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.851 -3.732 -7.748 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.840 -4.257 -6.166 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.277 -2.898 -5.215 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.995 -5.707 -6.284 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.332 -5.084 -6.384 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.319 -4.757 -4.940 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.046 -2.214 -6.759 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.511 -1.413 -7.173 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.083 -2.794 -8.139 1.00 0.00 H new ATOM 460 N VAL A 32 1.227 -3.149 -5.520 1.00 0.00 N ATOM 461 CA VAL A 32 2.625 -3.546 -5.643 1.00 0.00 C ATOM 462 C VAL A 32 2.928 -4.766 -4.781 1.00 0.00 C ATOM 463 O VAL A 32 2.180 -5.088 -3.858 1.00 0.00 O ATOM 464 CB VAL A 32 3.571 -2.399 -5.241 1.00 0.00 C ATOM 465 CG1 VAL A 32 3.295 -1.160 -6.078 1.00 0.00 C ATOM 466 CG2 VAL A 32 3.434 -2.092 -3.757 1.00 0.00 C ATOM 0 H VAL A 32 0.866 -3.164 -4.566 1.00 0.00 H new ATOM 0 HA VAL A 32 2.792 -3.795 -6.691 1.00 0.00 H new ATOM 0 HB VAL A 32 4.597 -2.714 -5.431 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.973 -0.361 -5.779 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.449 -1.391 -7.132 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.265 -0.839 -5.924 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.109 -1.279 -3.490 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.407 -1.797 -3.540 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.687 -2.980 -3.177 1.00 0.00 H new ATOM 476 N TYR A 33 4.029 -5.442 -5.089 1.00 0.00 N ATOM 477 CA TYR A 33 4.430 -6.630 -4.344 1.00 0.00 C ATOM 478 C TYR A 33 5.645 -6.338 -3.468 1.00 0.00 C ATOM 479 O TYR A 33 6.744 -6.103 -3.971 1.00 0.00 O ATOM 480 CB TYR A 33 4.744 -7.778 -5.304 1.00 0.00 C ATOM 481 CG TYR A 33 3.551 -8.230 -6.117 1.00 0.00 C ATOM 482 CD1 TYR A 33 3.067 -7.458 -7.165 1.00 0.00 C ATOM 483 CD2 TYR A 33 2.910 -9.431 -5.837 1.00 0.00 C ATOM 484 CE1 TYR A 33 1.977 -7.867 -7.909 1.00 0.00 C ATOM 485 CE2 TYR A 33 1.821 -9.849 -6.577 1.00 0.00 C ATOM 486 CZ TYR A 33 1.358 -9.063 -7.612 1.00 0.00 C ATOM 487 OH TYR A 33 0.273 -9.475 -8.352 1.00 0.00 O ATOM 0 H TYR A 33 4.660 -5.188 -5.849 1.00 0.00 H new ATOM 0 HA TYR A 33 3.601 -6.921 -3.699 1.00 0.00 H new ATOM 0 HB2 TYR A 33 5.539 -7.467 -5.982 1.00 0.00 H new ATOM 0 HB3 TYR A 33 5.126 -8.624 -4.733 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.551 -6.522 -7.402 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.270 -10.048 -5.027 1.00 0.00 H new ATOM 0 HE1 TYR A 33 1.612 -7.253 -8.719 1.00 0.00 H new ATOM 0 HE2 TYR A 33 1.335 -10.786 -6.347 1.00 0.00 H new ATOM 0 HH TYR A 33 -0.044 -10.338 -8.014 1.00 0.00 H new ATOM 497 N ILE A 34 5.438 -6.357 -2.156 1.00 0.00 N ATOM 498 CA ILE A 34 6.515 -6.097 -1.209 1.00 0.00 C ATOM 499 C ILE A 34 7.530 -7.235 -1.204 1.00 0.00 C ATOM 500 O ILE A 34 7.241 -8.337 -0.735 1.00 0.00 O ATOM 501 CB ILE A 34 5.975 -5.900 0.220 1.00 0.00 C ATOM 502 CG1 ILE A 34 5.039 -4.690 0.272 1.00 0.00 C ATOM 503 CG2 ILE A 34 7.124 -5.731 1.202 1.00 0.00 C ATOM 504 CD1 ILE A 34 3.592 -5.033 -0.003 1.00 0.00 C ATOM 0 H ILE A 34 4.534 -6.550 -1.724 1.00 0.00 H new ATOM 0 HA ILE A 34 7.004 -5.178 -1.533 1.00 0.00 H new ATOM 0 HB ILE A 34 5.408 -6.787 0.504 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.113 -4.225 1.255 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.373 -3.951 -0.456 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.726 -5.593 2.207 1.00 0.00 H new ATOM 0 HG22 ILE A 34 7.755 -6.620 1.180 1.00 0.00 H new ATOM 0 HG23 ILE A 34 7.716 -4.859 0.923 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.987 -4.128 0.050 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.504 -5.470 -0.998 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.240 -5.749 0.740 1.00 0.00 H new ATOM 516 N HIS A 35 8.721 -6.962 -1.727 1.00 0.00 N ATOM 517 CA HIS A 35 9.780 -7.963 -1.781 1.00 0.00 C ATOM 518 C HIS A 35 10.619 -7.936 -0.507 1.00 0.00 C ATOM 519 O HIS A 35 10.898 -8.977 0.088 1.00 0.00 O ATOM 520 CB HIS A 35 10.673 -7.726 -2.999 1.00 0.00 C ATOM 521 CG HIS A 35 9.922 -7.687 -4.294 1.00 0.00 C ATOM 522 ND1 HIS A 35 9.210 -6.693 -4.875 1.00 0.00 N flip ATOM 523 CD2 HIS A 35 9.846 -8.763 -5.153 1.00 0.00 C flip ATOM 524 CE1 HIS A 35 8.722 -7.181 -6.062 1.00 0.00 C flip ATOM 525 NE2 HIS A 35 9.121 -8.432 -6.206 1.00 0.00 N flip ATOM 0 H HIS A 35 8.977 -6.056 -2.119 1.00 0.00 H new ATOM 0 HA HIS A 35 9.314 -8.945 -1.867 1.00 0.00 H new ATOM 0 HB2 HIS A 35 11.207 -6.785 -2.870 1.00 0.00 H new ATOM 0 HB3 HIS A 35 11.424 -8.515 -3.048 1.00 0.00 H new ATOM 0 HD2 HIS A 35 10.307 -9.726 -4.990 1.00 0.00 H new ATOM 0 HE1 HIS A 35 8.112 -6.632 -6.763 1.00 0.00 H new ATOM 0 HE2 HIS A 35 8.906 -9.039 -6.997 1.00 0.00 H new ATOM 533 N LYS A 36 11.020 -6.738 -0.094 1.00 0.00 N ATOM 534 CA LYS A 36 11.827 -6.573 1.109 1.00 0.00 C ATOM 535 C LYS A 36 11.318 -5.406 1.949 1.00 0.00 C ATOM 536 O LYS A 36 10.569 -4.560 1.463 1.00 0.00 O ATOM 537 CB LYS A 36 13.294 -6.347 0.737 1.00 0.00 C ATOM 538 CG LYS A 36 13.571 -4.966 0.168 1.00 0.00 C ATOM 539 CD LYS A 36 15.060 -4.733 -0.027 1.00 0.00 C ATOM 540 CE LYS A 36 15.717 -4.230 1.249 1.00 0.00 C ATOM 541 NZ LYS A 36 17.172 -3.975 1.061 1.00 0.00 N ATOM 0 H LYS A 36 10.799 -5.866 -0.576 1.00 0.00 H new ATOM 0 HA LYS A 36 11.745 -7.486 1.700 1.00 0.00 H new ATOM 0 HB2 LYS A 36 13.912 -6.497 1.622 1.00 0.00 H new ATOM 0 HB3 LYS A 36 13.595 -7.099 0.007 1.00 0.00 H new ATOM 0 HG2 LYS A 36 13.056 -4.854 -0.786 1.00 0.00 H new ATOM 0 HG3 LYS A 36 13.168 -4.207 0.839 1.00 0.00 H new ATOM 0 HD2 LYS A 36 15.537 -5.662 -0.341 1.00 0.00 H new ATOM 0 HD3 LYS A 36 15.214 -4.009 -0.827 1.00 0.00 H new ATOM 0 HE2 LYS A 36 15.226 -3.312 1.572 1.00 0.00 H new ATOM 0 HE3 LYS A 36 15.577 -4.963 2.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 17.583 -3.634 1.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 17.645 -4.857 0.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 17.306 -3.256 0.321 1.00 0.00 H new ATOM 555 N GLU A 37 11.733 -5.367 3.212 1.00 0.00 N ATOM 556 CA GLU A 37 11.319 -4.302 4.118 1.00 0.00 C ATOM 557 C GLU A 37 12.416 -3.251 4.259 1.00 0.00 C ATOM 558 O GLU A 37 13.548 -3.564 4.628 1.00 0.00 O ATOM 559 CB GLU A 37 10.970 -4.878 5.492 1.00 0.00 C ATOM 560 CG GLU A 37 9.617 -5.567 5.537 1.00 0.00 C ATOM 561 CD GLU A 37 9.374 -6.291 6.847 1.00 0.00 C ATOM 562 OE1 GLU A 37 10.212 -7.139 7.221 1.00 0.00 O ATOM 563 OE2 GLU A 37 8.346 -6.010 7.498 1.00 0.00 O ATOM 0 H GLU A 37 12.354 -6.059 3.630 1.00 0.00 H new ATOM 0 HA GLU A 37 10.434 -3.825 3.697 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.741 -5.591 5.784 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.984 -4.074 6.228 1.00 0.00 H new ATOM 0 HG2 GLU A 37 8.831 -4.827 5.384 1.00 0.00 H new ATOM 0 HG3 GLU A 37 9.549 -6.279 4.715 1.00 0.00 H new ATOM 570 N VAL A 38 12.072 -2.001 3.962 1.00 0.00 N ATOM 571 CA VAL A 38 13.027 -0.903 4.056 1.00 0.00 C ATOM 572 C VAL A 38 13.181 -0.431 5.497 1.00 0.00 C ATOM 573 O VAL A 38 14.242 -0.587 6.102 1.00 0.00 O ATOM 574 CB VAL A 38 12.598 0.289 3.180 1.00 0.00 C ATOM 575 CG1 VAL A 38 13.532 1.471 3.392 1.00 0.00 C ATOM 576 CG2 VAL A 38 12.560 -0.114 1.714 1.00 0.00 C ATOM 0 H VAL A 38 11.140 -1.724 3.655 1.00 0.00 H new ATOM 0 HA VAL A 38 13.984 -1.283 3.697 1.00 0.00 H new ATOM 0 HB VAL A 38 11.594 0.592 3.476 1.00 0.00 H new ATOM 0 HG11 VAL A 38 13.213 2.304 2.765 1.00 0.00 H new ATOM 0 HG12 VAL A 38 13.504 1.774 4.439 1.00 0.00 H new ATOM 0 HG13 VAL A 38 14.549 1.184 3.124 1.00 0.00 H new ATOM 0 HG21 VAL A 38 12.255 0.740 1.110 1.00 0.00 H new ATOM 0 HG22 VAL A 38 13.551 -0.444 1.402 1.00 0.00 H new ATOM 0 HG23 VAL A 38 11.847 -0.927 1.579 1.00 0.00 H new ATOM 586 N ASP A 39 12.116 0.147 6.042 1.00 0.00 N ATOM 587 CA ASP A 39 12.132 0.642 7.414 1.00 0.00 C ATOM 588 C ASP A 39 10.984 0.043 8.220 1.00 0.00 C ATOM 589 O ASP A 39 10.171 -0.717 7.694 1.00 0.00 O ATOM 590 CB ASP A 39 12.041 2.168 7.430 1.00 0.00 C ATOM 591 CG ASP A 39 12.524 2.763 8.737 1.00 0.00 C ATOM 592 OD1 ASP A 39 13.460 2.195 9.338 1.00 0.00 O ATOM 593 OD2 ASP A 39 11.966 3.797 9.161 1.00 0.00 O ATOM 0 H ASP A 39 11.231 0.284 5.555 1.00 0.00 H new ATOM 0 HA ASP A 39 13.073 0.338 7.873 1.00 0.00 H new ATOM 0 HB2 ASP A 39 12.633 2.573 6.609 1.00 0.00 H new ATOM 0 HB3 ASP A 39 11.008 2.469 7.257 1.00 0.00 H new ATOM 598 N LYS A 40 10.924 0.389 9.502 1.00 0.00 N ATOM 599 CA LYS A 40 9.876 -0.113 10.383 1.00 0.00 C ATOM 600 C LYS A 40 8.496 0.142 9.786 1.00 0.00 C ATOM 601 O LYS A 40 7.559 -0.622 10.017 1.00 0.00 O ATOM 602 CB LYS A 40 9.978 0.548 11.759 1.00 0.00 C ATOM 603 CG LYS A 40 9.094 -0.098 12.811 1.00 0.00 C ATOM 604 CD LYS A 40 7.707 0.522 12.832 1.00 0.00 C ATOM 605 CE LYS A 40 7.668 1.771 13.699 1.00 0.00 C ATOM 606 NZ LYS A 40 6.344 2.451 13.633 1.00 0.00 N ATOM 0 H LYS A 40 11.590 1.016 9.954 1.00 0.00 H new ATOM 0 HA LYS A 40 10.012 -1.189 10.493 1.00 0.00 H new ATOM 0 HB2 LYS A 40 11.014 0.511 12.095 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.710 1.601 11.668 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.013 -1.167 12.613 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.556 0.010 13.792 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.404 0.774 11.816 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.988 -0.206 13.208 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.887 1.503 14.732 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.447 2.461 13.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.358 3.297 14.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.146 2.730 12.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.603 1.801 13.965 1.00 0.00 H new ATOM 620 N ASN A 41 8.378 1.219 9.017 1.00 0.00 N ATOM 621 CA ASN A 41 7.111 1.573 8.386 1.00 0.00 C ATOM 622 C ASN A 41 7.237 1.554 6.866 1.00 0.00 C ATOM 623 O ASN A 41 6.308 1.159 6.161 1.00 0.00 O ATOM 624 CB ASN A 41 6.654 2.956 8.854 1.00 0.00 C ATOM 625 CG ASN A 41 5.143 3.091 8.866 1.00 0.00 C ATOM 626 OD1 ASN A 41 4.478 2.836 7.862 1.00 0.00 O ATOM 627 ND2 ASN A 41 4.595 3.495 10.006 1.00 0.00 N ATOM 0 H ASN A 41 9.144 1.862 8.815 1.00 0.00 H new ATOM 0 HA ASN A 41 6.367 0.833 8.680 1.00 0.00 H new ATOM 0 HB2 ASN A 41 7.041 3.144 9.855 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.079 3.717 8.200 1.00 0.00 H new ATOM 0 HD21 ASN A 41 3.583 3.605 10.075 1.00 0.00 H new ATOM 0 HD22 ASN A 41 5.186 3.695 10.813 1.00 0.00 H new ATOM 634 N TRP A 42 8.390 1.984 6.368 1.00 0.00 N ATOM 635 CA TRP A 42 8.638 2.016 4.931 1.00 0.00 C ATOM 636 C TRP A 42 8.929 0.618 4.397 1.00 0.00 C ATOM 637 O TRP A 42 9.598 -0.181 5.054 1.00 0.00 O ATOM 638 CB TRP A 42 9.807 2.950 4.614 1.00 0.00 C ATOM 639 CG TRP A 42 9.585 4.358 5.079 1.00 0.00 C ATOM 640 CD1 TRP A 42 9.756 4.839 6.346 1.00 0.00 C ATOM 641 CD2 TRP A 42 9.151 5.465 4.283 1.00 0.00 C ATOM 642 NE1 TRP A 42 9.453 6.179 6.385 1.00 0.00 N ATOM 643 CE2 TRP A 42 9.080 6.587 5.132 1.00 0.00 C ATOM 644 CE3 TRP A 42 8.816 5.619 2.934 1.00 0.00 C ATOM 645 CZ2 TRP A 42 8.688 7.842 4.675 1.00 0.00 C ATOM 646 CZ3 TRP A 42 8.427 6.865 2.483 1.00 0.00 C ATOM 647 CH2 TRP A 42 8.366 7.964 3.350 1.00 0.00 C ATOM 0 H TRP A 42 9.168 2.316 6.938 1.00 0.00 H new ATOM 0 HA TRP A 42 7.739 2.392 4.442 1.00 0.00 H new ATOM 0 HB2 TRP A 42 10.712 2.559 5.080 1.00 0.00 H new ATOM 0 HB3 TRP A 42 9.979 2.953 3.538 1.00 0.00 H new ATOM 0 HD1 TRP A 42 10.081 4.253 7.193 1.00 0.00 H new ATOM 0 HE1 TRP A 42 9.499 6.773 7.213 1.00 0.00 H new ATOM 0 HE3 TRP A 42 8.861 4.779 2.257 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 8.640 8.690 5.342 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 8.165 6.995 1.443 1.00 0.00 H new ATOM 0 HH2 TRP A 42 8.059 8.926 2.966 1.00 0.00 H new ATOM 658 N LEU A 43 8.425 0.328 3.203 1.00 0.00 N ATOM 659 CA LEU A 43 8.632 -0.975 2.581 1.00 0.00 C ATOM 660 C LEU A 43 9.258 -0.825 1.198 1.00 0.00 C ATOM 661 O LEU A 43 9.422 0.288 0.698 1.00 0.00 O ATOM 662 CB LEU A 43 7.304 -1.727 2.472 1.00 0.00 C ATOM 663 CG LEU A 43 6.454 -1.774 3.743 1.00 0.00 C ATOM 664 CD1 LEU A 43 5.074 -2.337 3.440 1.00 0.00 C ATOM 665 CD2 LEU A 43 7.146 -2.600 4.817 1.00 0.00 C ATOM 0 H LEU A 43 7.870 0.978 2.646 1.00 0.00 H new ATOM 0 HA LEU A 43 9.316 -1.545 3.210 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.713 -1.267 1.680 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.513 -2.750 2.160 1.00 0.00 H new ATOM 0 HG LEU A 43 6.335 -0.757 4.117 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.483 -2.363 4.355 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.576 -1.705 2.705 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.172 -3.347 3.043 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.527 -2.622 5.714 1.00 0.00 H new ATOM 0 HD22 LEU A 43 7.296 -3.617 4.454 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.112 -2.153 5.054 1.00 0.00 H new ATOM 677 N GLU A 44 9.605 -1.952 0.585 1.00 0.00 N ATOM 678 CA GLU A 44 10.212 -1.945 -0.740 1.00 0.00 C ATOM 679 C GLU A 44 9.354 -2.721 -1.736 1.00 0.00 C ATOM 680 O GLU A 44 8.928 -3.842 -1.463 1.00 0.00 O ATOM 681 CB GLU A 44 11.618 -2.546 -0.685 1.00 0.00 C ATOM 682 CG GLU A 44 12.415 -2.348 -1.963 1.00 0.00 C ATOM 683 CD GLU A 44 12.218 -3.477 -2.955 1.00 0.00 C ATOM 684 OE1 GLU A 44 11.171 -4.154 -2.884 1.00 0.00 O ATOM 685 OE2 GLU A 44 13.111 -3.685 -3.803 1.00 0.00 O ATOM 0 H GLU A 44 9.476 -2.881 0.985 1.00 0.00 H new ATOM 0 HA GLU A 44 10.280 -0.910 -1.074 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.163 -2.098 0.146 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.540 -3.613 -0.477 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.122 -1.406 -2.427 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.474 -2.266 -1.717 1.00 0.00 H new ATOM 692 N GLY A 45 9.105 -2.115 -2.893 1.00 0.00 N ATOM 693 CA GLY A 45 8.300 -2.762 -3.911 1.00 0.00 C ATOM 694 C GLY A 45 8.724 -2.380 -5.316 1.00 0.00 C ATOM 695 O GLY A 45 9.604 -1.540 -5.497 1.00 0.00 O ATOM 0 H GLY A 45 9.447 -1.187 -3.143 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.373 -3.843 -3.794 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.253 -2.495 -3.766 1.00 0.00 H new ATOM 699 N GLU A 46 8.097 -3.000 -6.311 1.00 0.00 N ATOM 700 CA GLU A 46 8.417 -2.721 -7.706 1.00 0.00 C ATOM 701 C GLU A 46 7.155 -2.716 -8.563 1.00 0.00 C ATOM 702 O GLU A 46 6.431 -3.710 -8.627 1.00 0.00 O ATOM 703 CB GLU A 46 9.408 -3.757 -8.242 1.00 0.00 C ATOM 704 CG GLU A 46 9.620 -3.676 -9.744 1.00 0.00 C ATOM 705 CD GLU A 46 10.242 -4.936 -10.314 1.00 0.00 C ATOM 706 OE1 GLU A 46 10.092 -6.007 -9.690 1.00 0.00 O ATOM 707 OE2 GLU A 46 10.878 -4.850 -11.385 1.00 0.00 O ATOM 0 H GLU A 46 7.365 -3.698 -6.177 1.00 0.00 H new ATOM 0 HA GLU A 46 8.873 -1.732 -7.757 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.367 -3.624 -7.741 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.051 -4.755 -7.987 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.663 -3.494 -10.233 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.261 -2.824 -9.971 1.00 0.00 H new ATOM 798 N GLY A 52 10.896 1.904 -6.481 1.00 0.00 N ATOM 799 CA GLY A 52 11.387 2.765 -5.421 1.00 0.00 C ATOM 800 C GLY A 52 10.851 2.371 -4.058 1.00 0.00 C ATOM 801 O GLY A 52 10.314 1.276 -3.888 1.00 0.00 O ATOM 0 HA2 GLY A 52 12.476 2.730 -5.404 1.00 0.00 H new ATOM 0 HA3 GLY A 52 11.105 3.796 -5.635 1.00 0.00 H new ATOM 805 N ILE A 53 10.997 3.265 -3.086 1.00 0.00 N ATOM 806 CA ILE A 53 10.524 3.004 -1.732 1.00 0.00 C ATOM 807 C ILE A 53 9.195 3.705 -1.470 1.00 0.00 C ATOM 808 O ILE A 53 8.878 4.714 -2.100 1.00 0.00 O ATOM 809 CB ILE A 53 11.550 3.462 -0.679 1.00 0.00 C ATOM 810 CG1 ILE A 53 11.883 4.943 -0.870 1.00 0.00 C ATOM 811 CG2 ILE A 53 12.811 2.614 -0.764 1.00 0.00 C ATOM 812 CD1 ILE A 53 12.521 5.580 0.345 1.00 0.00 C ATOM 0 H ILE A 53 11.439 4.176 -3.211 1.00 0.00 H new ATOM 0 HA ILE A 53 10.387 1.926 -1.648 1.00 0.00 H new ATOM 0 HB ILE A 53 11.115 3.332 0.312 1.00 0.00 H new ATOM 0 HG12 ILE A 53 12.555 5.049 -1.721 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.969 5.484 -1.116 1.00 0.00 H new ATOM 0 HG21 ILE A 53 13.527 2.950 -0.014 1.00 0.00 H new ATOM 0 HG22 ILE A 53 12.559 1.569 -0.583 1.00 0.00 H new ATOM 0 HG23 ILE A 53 13.251 2.715 -1.756 1.00 0.00 H new ATOM 0 HD11 ILE A 53 12.730 6.630 0.138 1.00 0.00 H new ATOM 0 HD12 ILE A 53 11.841 5.506 1.194 1.00 0.00 H new ATOM 0 HD13 ILE A 53 13.452 5.064 0.579 1.00 0.00 H new ATOM 824 N PHE A 54 8.423 3.165 -0.533 1.00 0.00 N ATOM 825 CA PHE A 54 7.128 3.740 -0.185 1.00 0.00 C ATOM 826 C PHE A 54 6.715 3.336 1.227 1.00 0.00 C ATOM 827 O PHE A 54 7.112 2.290 1.742 1.00 0.00 O ATOM 828 CB PHE A 54 6.062 3.292 -1.188 1.00 0.00 C ATOM 829 CG PHE A 54 5.814 1.810 -1.177 1.00 0.00 C ATOM 830 CD1 PHE A 54 6.728 0.938 -1.747 1.00 0.00 C ATOM 831 CD2 PHE A 54 4.668 1.291 -0.598 1.00 0.00 C ATOM 832 CE1 PHE A 54 6.501 -0.426 -1.739 1.00 0.00 C ATOM 833 CE2 PHE A 54 4.436 -0.072 -0.587 1.00 0.00 C ATOM 834 CZ PHE A 54 5.355 -0.931 -1.158 1.00 0.00 C ATOM 0 H PHE A 54 8.671 2.331 -0.001 1.00 0.00 H new ATOM 0 HA PHE A 54 7.219 4.826 -0.221 1.00 0.00 H new ATOM 0 HB2 PHE A 54 5.128 3.810 -0.970 1.00 0.00 H new ATOM 0 HB3 PHE A 54 6.367 3.594 -2.190 1.00 0.00 H new ATOM 0 HD1 PHE A 54 7.627 1.328 -2.202 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.947 1.959 -0.150 1.00 0.00 H new ATOM 0 HE1 PHE A 54 7.220 -1.096 -2.187 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.538 -0.464 -0.133 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.177 -1.996 -1.150 1.00 0.00 H new ATOM 844 N PRO A 55 5.900 4.185 1.870 1.00 0.00 N ATOM 845 CA PRO A 55 5.415 3.939 3.231 1.00 0.00 C ATOM 846 C PRO A 55 4.422 2.783 3.293 1.00 0.00 C ATOM 847 O PRO A 55 3.897 2.348 2.269 1.00 0.00 O ATOM 848 CB PRO A 55 4.728 5.254 3.607 1.00 0.00 C ATOM 849 CG PRO A 55 4.329 5.858 2.304 1.00 0.00 C ATOM 850 CD PRO A 55 5.387 5.449 1.317 1.00 0.00 C ATOM 0 HA PRO A 55 6.223 3.656 3.906 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.861 5.080 4.245 1.00 0.00 H new ATOM 0 HB3 PRO A 55 5.402 5.910 4.158 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.347 5.502 1.993 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.265 6.943 2.380 1.00 0.00 H new ATOM 0 HD2 PRO A 55 4.973 5.312 0.318 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.173 6.200 1.236 1.00 0.00 H new ATOM 858 N ALA A 56 4.170 2.290 4.502 1.00 0.00 N ATOM 859 CA ALA A 56 3.238 1.186 4.697 1.00 0.00 C ATOM 860 C ALA A 56 1.839 1.700 5.023 1.00 0.00 C ATOM 861 O ALA A 56 0.862 1.314 4.383 1.00 0.00 O ATOM 862 CB ALA A 56 3.735 0.265 5.801 1.00 0.00 C ATOM 0 H ALA A 56 4.598 2.638 5.360 1.00 0.00 H new ATOM 0 HA ALA A 56 3.181 0.621 3.766 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.030 -0.555 5.936 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.711 -0.137 5.528 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.822 0.826 6.731 1.00 0.00 H new ATOM 868 N ASN A 57 1.752 2.571 6.023 1.00 0.00 N ATOM 869 CA ASN A 57 0.472 3.137 6.434 1.00 0.00 C ATOM 870 C ASN A 57 -0.356 3.547 5.221 1.00 0.00 C ATOM 871 O ASN A 57 -1.525 3.178 5.100 1.00 0.00 O ATOM 872 CB ASN A 57 0.695 4.345 7.347 1.00 0.00 C ATOM 873 CG ASN A 57 1.917 5.151 6.951 1.00 0.00 C ATOM 874 OD1 ASN A 57 2.325 5.151 5.790 1.00 0.00 O ATOM 875 ND2 ASN A 57 2.508 5.842 7.919 1.00 0.00 N ATOM 0 H ASN A 57 2.552 2.900 6.563 1.00 0.00 H new ATOM 0 HA ASN A 57 -0.076 2.372 6.983 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.185 4.987 7.317 1.00 0.00 H new ATOM 0 HB3 ASN A 57 0.806 4.004 8.376 1.00 0.00 H new ATOM 0 HD21 ASN A 57 3.335 6.402 7.714 1.00 0.00 H new ATOM 0 HD22 ASN A 57 2.135 5.812 8.868 1.00 0.00 H new ATOM 882 N TYR A 58 0.256 4.313 4.325 1.00 0.00 N ATOM 883 CA TYR A 58 -0.425 4.776 3.122 1.00 0.00 C ATOM 884 C TYR A 58 -1.255 3.656 2.501 1.00 0.00 C ATOM 885 O TYR A 58 -2.316 3.900 1.926 1.00 0.00 O ATOM 886 CB TYR A 58 0.591 5.297 2.104 1.00 0.00 C ATOM 887 CG TYR A 58 0.900 6.769 2.256 1.00 0.00 C ATOM 888 CD1 TYR A 58 1.555 7.248 3.383 1.00 0.00 C ATOM 889 CD2 TYR A 58 0.535 7.681 1.273 1.00 0.00 C ATOM 890 CE1 TYR A 58 1.839 8.592 3.527 1.00 0.00 C ATOM 891 CE2 TYR A 58 0.817 9.027 1.408 1.00 0.00 C ATOM 892 CZ TYR A 58 1.468 9.478 2.537 1.00 0.00 C ATOM 893 OH TYR A 58 1.749 10.818 2.675 1.00 0.00 O ATOM 0 H TYR A 58 1.223 4.627 4.409 1.00 0.00 H new ATOM 0 HA TYR A 58 -1.096 5.588 3.404 1.00 0.00 H new ATOM 0 HB2 TYR A 58 1.516 4.728 2.202 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.211 5.116 1.099 1.00 0.00 H new ATOM 0 HD1 TYR A 58 1.847 6.558 4.160 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.022 7.332 0.389 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.349 8.947 4.410 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.529 9.722 0.633 1.00 0.00 H new ATOM 0 HH TYR A 58 1.422 11.303 1.889 1.00 0.00 H new ATOM 903 N VAL A 59 -0.764 2.427 2.623 1.00 0.00 N ATOM 904 CA VAL A 59 -1.460 1.268 2.076 1.00 0.00 C ATOM 905 C VAL A 59 -1.835 0.282 3.177 1.00 0.00 C ATOM 906 O VAL A 59 -1.346 0.379 4.302 1.00 0.00 O ATOM 907 CB VAL A 59 -0.601 0.543 1.023 1.00 0.00 C ATOM 908 CG1 VAL A 59 -0.192 1.501 -0.085 1.00 0.00 C ATOM 909 CG2 VAL A 59 0.622 -0.085 1.675 1.00 0.00 C ATOM 0 H VAL A 59 0.113 2.208 3.096 1.00 0.00 H new ATOM 0 HA VAL A 59 -2.368 1.639 1.600 1.00 0.00 H new ATOM 0 HB VAL A 59 -1.198 -0.254 0.579 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.414 0.971 -0.819 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.084 1.899 -0.570 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.387 2.322 0.339 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.218 -0.593 0.917 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.222 0.693 2.147 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.303 -0.805 2.429 1.00 0.00 H new ATOM 919 N GLU A 60 -2.705 -0.666 2.844 1.00 0.00 N ATOM 920 CA GLU A 60 -3.146 -1.669 3.805 1.00 0.00 C ATOM 921 C GLU A 60 -3.352 -3.020 3.126 1.00 0.00 C ATOM 922 O GLU A 60 -3.998 -3.110 2.082 1.00 0.00 O ATOM 923 CB GLU A 60 -4.443 -1.224 4.483 1.00 0.00 C ATOM 924 CG GLU A 60 -4.738 -1.961 5.778 1.00 0.00 C ATOM 925 CD GLU A 60 -5.942 -1.399 6.509 1.00 0.00 C ATOM 926 OE1 GLU A 60 -5.849 -0.263 7.020 1.00 0.00 O ATOM 927 OE2 GLU A 60 -6.977 -2.095 6.570 1.00 0.00 O ATOM 0 H GLU A 60 -3.118 -0.760 1.916 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.368 -1.776 4.561 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.387 -0.155 4.688 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.273 -1.373 3.793 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.909 -3.015 5.561 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.865 -1.908 6.429 1.00 0.00 H new ATOM 934 N VAL A 61 -2.797 -4.068 3.726 1.00 0.00 N ATOM 935 CA VAL A 61 -2.920 -5.415 3.181 1.00 0.00 C ATOM 936 C VAL A 61 -4.383 -5.809 3.013 1.00 0.00 C ATOM 937 O VAL A 61 -5.107 -5.984 3.995 1.00 0.00 O ATOM 938 CB VAL A 61 -2.221 -6.451 4.081 1.00 0.00 C ATOM 939 CG1 VAL A 61 -2.411 -7.855 3.527 1.00 0.00 C ATOM 940 CG2 VAL A 61 -0.742 -6.121 4.223 1.00 0.00 C ATOM 0 H VAL A 61 -2.258 -4.010 4.590 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.435 -5.406 2.205 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.676 -6.412 5.071 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.910 -8.573 4.176 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.475 -8.087 3.482 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.984 -7.912 2.526 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.263 -6.863 4.862 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.271 -6.131 3.240 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.631 -5.133 4.669 1.00 0.00 H new