USER MOD reduce.3.24.130724 H: found=0, std=0, add=385, rem=0, adj=7 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 Set 1.1: A 41 ASN :FLIP amide:sc= -0.731! C(o=-4.2!,f=-1.1!) USER MOD Set 1.2: A 57 ASN :FLIP amide:sc= -0.39! F(o=-2.8,f=-1.1!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 19 GLN : amide:sc= -1.88 K(o=-1.9,f=-6.1!) 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= 0.00799 X(o=0.008,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 : no HD1:sc= -0.0949 X(o=-0.095,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000982) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 88 N ALA A 9 0.269 -7.898 -1.641 1.00 0.00 N ATOM 89 CA ALA A 9 -0.362 -6.881 -2.473 1.00 0.00 C ATOM 90 C ALA A 9 -1.046 -5.819 -1.619 1.00 0.00 C ATOM 91 O ALA A 9 -1.954 -6.122 -0.845 1.00 0.00 O ATOM 92 CB ALA A 9 -1.362 -7.522 -3.424 1.00 0.00 C ATOM 0 HA ALA A 9 0.417 -6.392 -3.058 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -1.825 -6.750 -4.039 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.847 -8.237 -4.066 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.131 -8.038 -2.849 1.00 0.00 H new ATOM 98 N ALA A 10 -0.605 -4.574 -1.765 1.00 0.00 N ATOM 99 CA ALA A 10 -1.177 -3.468 -1.008 1.00 0.00 C ATOM 100 C ALA A 10 -1.638 -2.348 -1.935 1.00 0.00 C ATOM 101 O ALA A 10 -0.883 -1.889 -2.792 1.00 0.00 O ATOM 102 CB ALA A 10 -0.166 -2.940 -0.001 1.00 0.00 C ATOM 0 H ALA A 10 0.147 -4.306 -2.401 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.049 -3.840 -0.470 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.606 -2.114 0.558 1.00 0.00 H new ATOM 0 HB2 ALA A 10 0.111 -3.737 0.688 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.722 -2.590 -0.527 1.00 0.00 H new ATOM 108 N ARG A 11 -2.881 -1.913 -1.757 1.00 0.00 N ATOM 109 CA ARG A 11 -3.443 -0.849 -2.580 1.00 0.00 C ATOM 110 C ARG A 11 -3.158 0.519 -1.967 1.00 0.00 C ATOM 111 O ARG A 11 -3.065 0.658 -0.747 1.00 0.00 O ATOM 112 CB ARG A 11 -4.952 -1.042 -2.742 1.00 0.00 C ATOM 113 CG ARG A 11 -5.546 -0.255 -3.898 1.00 0.00 C ATOM 114 CD ARG A 11 -7.042 -0.495 -4.025 1.00 0.00 C ATOM 115 NE ARG A 11 -7.779 0.022 -2.875 1.00 0.00 N ATOM 116 CZ ARG A 11 -9.101 -0.041 -2.760 1.00 0.00 C ATOM 117 NH1 ARG A 11 -9.827 -0.596 -3.720 1.00 0.00 N ATOM 118 NH2 ARG A 11 -9.699 0.452 -1.683 1.00 0.00 N ATOM 0 H ARG A 11 -3.518 -2.281 -1.050 1.00 0.00 H new ATOM 0 HA ARG A 11 -2.971 -0.895 -3.561 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.160 -2.102 -2.890 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.449 -0.745 -1.818 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.358 0.808 -3.750 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.051 -0.540 -4.826 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.409 -0.020 -4.934 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.230 -1.564 -4.126 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.250 0.455 -2.118 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -9.371 -0.976 -4.549 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.842 -0.643 -3.629 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.144 0.880 -0.942 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.714 0.403 -1.596 1.00 0.00 H new ATOM 132 N LEU A 12 -3.018 1.527 -2.821 1.00 0.00 N ATOM 133 CA LEU A 12 -2.743 2.885 -2.365 1.00 0.00 C ATOM 134 C LEU A 12 -4.026 3.583 -1.926 1.00 0.00 C ATOM 135 O LEU A 12 -4.811 4.042 -2.756 1.00 0.00 O ATOM 136 CB LEU A 12 -2.065 3.690 -3.475 1.00 0.00 C ATOM 137 CG LEU A 12 -0.537 3.640 -3.503 1.00 0.00 C ATOM 138 CD1 LEU A 12 0.042 4.334 -2.280 1.00 0.00 C ATOM 139 CD2 LEU A 12 -0.052 2.199 -3.581 1.00 0.00 C ATOM 0 H LEU A 12 -3.090 1.429 -3.834 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.073 2.824 -1.508 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.438 3.333 -4.435 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.373 4.731 -3.381 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.191 4.167 -4.392 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.130 4.288 -2.317 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.277 5.376 -2.268 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.311 3.836 -1.377 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.038 2.182 -3.600 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.408 1.648 -2.711 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.438 1.734 -4.488 1.00 0.00 H new ATOM 151 N LYS A 13 -4.233 3.661 -0.616 1.00 0.00 N ATOM 152 CA LYS A 13 -5.419 4.306 -0.065 1.00 0.00 C ATOM 153 C LYS A 13 -5.664 5.655 -0.733 1.00 0.00 C ATOM 154 O LYS A 13 -6.802 6.118 -0.820 1.00 0.00 O ATOM 155 CB LYS A 13 -5.267 4.493 1.446 1.00 0.00 C ATOM 156 CG LYS A 13 -5.447 3.210 2.239 1.00 0.00 C ATOM 157 CD LYS A 13 -6.898 3.001 2.640 1.00 0.00 C ATOM 158 CE LYS A 13 -7.317 3.968 3.737 1.00 0.00 C ATOM 159 NZ LYS A 13 -7.077 3.404 5.095 1.00 0.00 N ATOM 0 H LYS A 13 -3.594 3.285 0.085 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.277 3.662 -0.261 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.279 4.904 1.655 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.997 5.227 1.788 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.107 2.363 1.644 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.823 3.243 3.132 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.540 3.136 1.770 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.038 1.976 2.984 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.765 4.902 3.629 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.374 4.208 3.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.375 4.093 5.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -7.624 2.526 5.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.064 3.198 5.211 1.00 0.00 H new ATOM 173 N PHE A 14 -4.591 6.281 -1.204 1.00 0.00 N ATOM 174 CA PHE A 14 -4.690 7.577 -1.865 1.00 0.00 C ATOM 175 C PHE A 14 -3.471 7.833 -2.747 1.00 0.00 C ATOM 176 O PHE A 14 -2.515 7.058 -2.742 1.00 0.00 O ATOM 177 CB PHE A 14 -4.826 8.693 -0.827 1.00 0.00 C ATOM 178 CG PHE A 14 -6.058 8.573 0.024 1.00 0.00 C ATOM 179 CD1 PHE A 14 -7.246 9.169 -0.366 1.00 0.00 C ATOM 180 CD2 PHE A 14 -6.027 7.864 1.214 1.00 0.00 C ATOM 181 CE1 PHE A 14 -8.380 9.061 0.416 1.00 0.00 C ATOM 182 CE2 PHE A 14 -7.158 7.752 2.000 1.00 0.00 C ATOM 183 CZ PHE A 14 -8.337 8.351 1.600 1.00 0.00 C ATOM 0 H PHE A 14 -3.642 5.912 -1.140 1.00 0.00 H new ATOM 0 HA PHE A 14 -5.578 7.568 -2.497 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.947 8.688 -0.182 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.840 9.655 -1.339 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.286 9.724 -1.291 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -5.108 7.393 1.531 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -9.300 9.532 0.102 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.120 7.197 2.926 1.00 0.00 H new ATOM 0 HZ PHE A 14 -9.223 8.264 2.212 1.00 0.00 H new ATOM 193 N ASP A 15 -3.514 8.924 -3.502 1.00 0.00 N ATOM 194 CA ASP A 15 -2.414 9.284 -4.390 1.00 0.00 C ATOM 195 C ASP A 15 -1.174 9.670 -3.589 1.00 0.00 C ATOM 196 O ASP A 15 -1.224 10.555 -2.735 1.00 0.00 O ATOM 197 CB ASP A 15 -2.825 10.438 -5.305 1.00 0.00 C ATOM 198 CG ASP A 15 -3.337 11.637 -4.531 1.00 0.00 C ATOM 199 OD1 ASP A 15 -4.316 11.478 -3.771 1.00 0.00 O ATOM 200 OD2 ASP A 15 -2.761 12.734 -4.685 1.00 0.00 O ATOM 0 H ASP A 15 -4.299 9.575 -3.518 1.00 0.00 H new ATOM 0 HA ASP A 15 -2.174 8.414 -5.002 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -1.971 10.739 -5.912 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -3.599 10.095 -5.992 1.00 0.00 H new ATOM 205 N PHE A 16 -0.062 8.999 -3.870 1.00 0.00 N ATOM 206 CA PHE A 16 1.191 9.270 -3.174 1.00 0.00 C ATOM 207 C PHE A 16 2.156 10.039 -4.072 1.00 0.00 C ATOM 208 O PHE A 16 2.331 9.703 -5.243 1.00 0.00 O ATOM 209 CB PHE A 16 1.837 7.962 -2.714 1.00 0.00 C ATOM 210 CG PHE A 16 3.225 8.138 -2.168 1.00 0.00 C ATOM 211 CD1 PHE A 16 3.482 9.081 -1.186 1.00 0.00 C ATOM 212 CD2 PHE A 16 4.272 7.361 -2.636 1.00 0.00 C ATOM 213 CE1 PHE A 16 4.759 9.246 -0.682 1.00 0.00 C ATOM 214 CE2 PHE A 16 5.551 7.521 -2.136 1.00 0.00 C ATOM 215 CZ PHE A 16 5.794 8.464 -1.157 1.00 0.00 C ATOM 0 H PHE A 16 -0.003 8.264 -4.575 1.00 0.00 H new ATOM 0 HA PHE A 16 0.968 9.883 -2.301 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.209 7.506 -1.949 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.871 7.268 -3.554 1.00 0.00 H new ATOM 0 HD1 PHE A 16 2.676 9.694 -0.810 1.00 0.00 H new ATOM 0 HD2 PHE A 16 4.087 6.621 -3.401 1.00 0.00 H new ATOM 0 HE1 PHE A 16 4.947 9.986 0.082 1.00 0.00 H new ATOM 0 HE2 PHE A 16 6.359 6.910 -2.510 1.00 0.00 H new ATOM 0 HZ PHE A 16 6.792 8.590 -0.763 1.00 0.00 H new ATOM 225 N GLN A 17 2.779 11.072 -3.514 1.00 0.00 N ATOM 226 CA GLN A 17 3.725 11.889 -4.264 1.00 0.00 C ATOM 227 C GLN A 17 5.126 11.781 -3.672 1.00 0.00 C ATOM 228 O GLN A 17 5.417 12.367 -2.630 1.00 0.00 O ATOM 229 CB GLN A 17 3.273 13.350 -4.274 1.00 0.00 C ATOM 230 CG GLN A 17 1.956 13.576 -4.999 1.00 0.00 C ATOM 231 CD GLN A 17 1.429 14.986 -4.827 1.00 0.00 C ATOM 232 OE1 GLN A 17 2.199 15.935 -4.675 1.00 0.00 O ATOM 233 NE2 GLN A 17 0.109 15.133 -4.849 1.00 0.00 N ATOM 0 H GLN A 17 2.646 11.363 -2.545 1.00 0.00 H new ATOM 0 HA GLN A 17 3.754 11.519 -5.289 1.00 0.00 H new ATOM 0 HB2 GLN A 17 3.176 13.698 -3.246 1.00 0.00 H new ATOM 0 HB3 GLN A 17 4.046 13.957 -4.745 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.090 13.370 -6.061 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.215 12.868 -4.628 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -0.493 14.319 -4.977 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -0.303 16.059 -4.737 1.00 0.00 H new ATOM 242 N ALA A 18 5.991 11.028 -4.344 1.00 0.00 N ATOM 243 CA ALA A 18 7.362 10.845 -3.886 1.00 0.00 C ATOM 244 C ALA A 18 8.234 12.034 -4.274 1.00 0.00 C ATOM 245 O ALA A 18 8.280 12.427 -5.439 1.00 0.00 O ATOM 246 CB ALA A 18 7.941 9.557 -4.452 1.00 0.00 C ATOM 0 H ALA A 18 5.766 10.535 -5.208 1.00 0.00 H new ATOM 0 HA ALA A 18 7.349 10.777 -2.798 1.00 0.00 H new ATOM 0 HB1 ALA A 18 8.966 9.434 -4.101 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.339 8.711 -4.120 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.933 9.602 -5.541 1.00 0.00 H new ATOM 252 N GLN A 19 8.924 12.602 -3.290 1.00 0.00 N ATOM 253 CA GLN A 19 9.793 13.748 -3.530 1.00 0.00 C ATOM 254 C GLN A 19 11.223 13.297 -3.811 1.00 0.00 C ATOM 255 O GLN A 19 11.923 13.894 -4.628 1.00 0.00 O ATOM 256 CB GLN A 19 9.771 14.693 -2.326 1.00 0.00 C ATOM 257 CG GLN A 19 10.206 16.111 -2.659 1.00 0.00 C ATOM 258 CD GLN A 19 11.713 16.258 -2.732 1.00 0.00 C ATOM 259 OE1 GLN A 19 12.454 15.310 -2.473 1.00 0.00 O ATOM 260 NE2 GLN A 19 12.175 17.452 -3.086 1.00 0.00 N ATOM 0 H GLN A 19 8.898 12.288 -2.320 1.00 0.00 H new ATOM 0 HA GLN A 19 9.419 14.278 -4.406 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.763 14.719 -1.913 1.00 0.00 H new ATOM 0 HB3 GLN A 19 10.424 14.294 -1.549 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.770 16.406 -3.613 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.814 16.794 -1.905 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.524 18.210 -3.292 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.180 17.611 -3.152 1.00 0.00 H new ATOM 269 N SER A 20 11.650 12.240 -3.128 1.00 0.00 N ATOM 270 CA SER A 20 12.998 11.711 -3.301 1.00 0.00 C ATOM 271 C SER A 20 13.042 10.699 -4.442 1.00 0.00 C ATOM 272 O SER A 20 12.024 10.139 -4.848 1.00 0.00 O ATOM 273 CB SER A 20 13.483 11.058 -2.005 1.00 0.00 C ATOM 274 OG SER A 20 14.126 12.002 -1.167 1.00 0.00 O ATOM 0 H SER A 20 11.082 11.733 -2.449 1.00 0.00 H new ATOM 0 HA SER A 20 13.659 12.542 -3.550 1.00 0.00 H new ATOM 0 HB2 SER A 20 12.637 10.616 -1.478 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.172 10.246 -2.239 1.00 0.00 H new ATOM 0 HG SER A 20 14.425 11.560 -0.345 1.00 0.00 H new ATOM 280 N PRO A 21 14.250 10.459 -4.972 1.00 0.00 N ATOM 281 CA PRO A 21 14.458 9.514 -6.073 1.00 0.00 C ATOM 282 C PRO A 21 14.252 8.066 -5.641 1.00 0.00 C ATOM 283 O PRO A 21 13.808 7.229 -6.428 1.00 0.00 O ATOM 284 CB PRO A 21 15.916 9.750 -6.473 1.00 0.00 C ATOM 285 CG PRO A 21 16.564 10.289 -5.244 1.00 0.00 C ATOM 286 CD PRO A 21 15.507 11.092 -4.538 1.00 0.00 C ATOM 0 HA PRO A 21 13.748 9.672 -6.885 1.00 0.00 H new ATOM 0 HB2 PRO A 21 16.392 8.825 -6.798 1.00 0.00 H new ATOM 0 HB3 PRO A 21 15.990 10.455 -7.301 1.00 0.00 H new ATOM 0 HG2 PRO A 21 16.930 9.482 -4.609 1.00 0.00 H new ATOM 0 HG3 PRO A 21 17.423 10.911 -5.496 1.00 0.00 H new ATOM 0 HD2 PRO A 21 15.626 11.049 -3.455 1.00 0.00 H new ATOM 0 HD3 PRO A 21 15.546 12.144 -4.821 1.00 0.00 H new ATOM 294 N LYS A 22 14.575 7.777 -4.385 1.00 0.00 N ATOM 295 CA LYS A 22 14.424 6.430 -3.847 1.00 0.00 C ATOM 296 C LYS A 22 12.951 6.072 -3.683 1.00 0.00 C ATOM 297 O LYS A 22 12.553 4.928 -3.901 1.00 0.00 O ATOM 298 CB LYS A 22 15.141 6.314 -2.500 1.00 0.00 C ATOM 299 CG LYS A 22 16.639 6.550 -2.585 1.00 0.00 C ATOM 300 CD LYS A 22 17.389 5.770 -1.519 1.00 0.00 C ATOM 301 CE LYS A 22 17.076 6.289 -0.124 1.00 0.00 C ATOM 302 NZ LYS A 22 18.181 6.008 0.833 1.00 0.00 N ATOM 0 H LYS A 22 14.943 8.458 -3.720 1.00 0.00 H new ATOM 0 HA LYS A 22 14.873 5.731 -4.553 1.00 0.00 H new ATOM 0 HB2 LYS A 22 14.708 7.033 -1.804 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.961 5.322 -2.087 1.00 0.00 H new ATOM 0 HG2 LYS A 22 16.999 6.257 -3.571 1.00 0.00 H new ATOM 0 HG3 LYS A 22 16.847 7.614 -2.472 1.00 0.00 H new ATOM 0 HD2 LYS A 22 17.123 4.715 -1.584 1.00 0.00 H new ATOM 0 HD3 LYS A 22 18.461 5.840 -1.702 1.00 0.00 H new ATOM 0 HE2 LYS A 22 16.898 7.363 -0.168 1.00 0.00 H new ATOM 0 HE3 LYS A 22 16.157 5.828 0.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 17.929 6.377 1.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 18.334 4.981 0.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 19.053 6.469 0.502 1.00 0.00 H new ATOM 316 N GLU A 23 12.146 7.058 -3.299 1.00 0.00 N ATOM 317 CA GLU A 23 10.716 6.845 -3.107 1.00 0.00 C ATOM 318 C GLU A 23 10.047 6.432 -4.415 1.00 0.00 C ATOM 319 O GLU A 23 10.692 6.368 -5.463 1.00 0.00 O ATOM 320 CB GLU A 23 10.057 8.114 -2.564 1.00 0.00 C ATOM 321 CG GLU A 23 10.236 8.300 -1.066 1.00 0.00 C ATOM 322 CD GLU A 23 9.620 9.589 -0.560 1.00 0.00 C ATOM 323 OE1 GLU A 23 9.347 10.482 -1.389 1.00 0.00 O ATOM 324 OE2 GLU A 23 9.411 9.705 0.665 1.00 0.00 O ATOM 0 H GLU A 23 12.459 8.011 -3.115 1.00 0.00 H new ATOM 0 HA GLU A 23 10.589 6.040 -2.383 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.473 8.979 -3.081 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.992 8.087 -2.793 1.00 0.00 H new ATOM 0 HG2 GLU A 23 9.785 7.457 -0.543 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.300 8.292 -0.827 1.00 0.00 H new ATOM 331 N LEU A 24 8.751 6.150 -4.347 1.00 0.00 N ATOM 332 CA LEU A 24 7.993 5.742 -5.525 1.00 0.00 C ATOM 333 C LEU A 24 6.746 6.604 -5.695 1.00 0.00 C ATOM 334 O LEU A 24 6.061 6.924 -4.723 1.00 0.00 O ATOM 335 CB LEU A 24 7.598 4.268 -5.416 1.00 0.00 C ATOM 336 CG LEU A 24 8.597 3.262 -5.989 1.00 0.00 C ATOM 337 CD1 LEU A 24 8.141 1.839 -5.708 1.00 0.00 C ATOM 338 CD2 LEU A 24 8.775 3.481 -7.485 1.00 0.00 C ATOM 0 H LEU A 24 8.202 6.196 -3.488 1.00 0.00 H new ATOM 0 HA LEU A 24 8.628 5.878 -6.401 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.438 4.032 -4.364 1.00 0.00 H new ATOM 0 HB3 LEU A 24 6.643 4.130 -5.922 1.00 0.00 H new ATOM 0 HG LEU A 24 9.560 3.416 -5.502 1.00 0.00 H new ATOM 0 HD11 LEU A 24 8.864 1.137 -6.123 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.065 1.687 -4.631 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.167 1.671 -6.168 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.489 2.757 -7.876 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.816 3.354 -7.988 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.147 4.490 -7.663 1.00 0.00 H new ATOM 350 N THR A 25 6.454 6.975 -6.938 1.00 0.00 N ATOM 351 CA THR A 25 5.289 7.797 -7.236 1.00 0.00 C ATOM 352 C THR A 25 4.105 6.939 -7.668 1.00 0.00 C ATOM 353 O THR A 25 4.161 6.256 -8.692 1.00 0.00 O ATOM 354 CB THR A 25 5.594 8.824 -8.343 1.00 0.00 C ATOM 355 OG1 THR A 25 6.808 9.522 -8.043 1.00 0.00 O ATOM 356 CG2 THR A 25 4.454 9.820 -8.488 1.00 0.00 C ATOM 0 H THR A 25 7.009 6.719 -7.754 1.00 0.00 H new ATOM 0 HA THR A 25 5.034 8.327 -6.318 1.00 0.00 H new ATOM 0 HB THR A 25 5.707 8.286 -9.284 1.00 0.00 H new ATOM 0 HG1 THR A 25 6.996 10.172 -8.752 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.693 10.535 -9.276 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.538 9.289 -8.746 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.313 10.351 -7.547 1.00 0.00 H new ATOM 364 N LEU A 26 3.035 6.977 -6.882 1.00 0.00 N ATOM 365 CA LEU A 26 1.836 6.203 -7.184 1.00 0.00 C ATOM 366 C LEU A 26 0.583 7.061 -7.043 1.00 0.00 C ATOM 367 O LEU A 26 0.635 8.167 -6.505 1.00 0.00 O ATOM 368 CB LEU A 26 1.743 4.989 -6.258 1.00 0.00 C ATOM 369 CG LEU A 26 3.025 4.171 -6.092 1.00 0.00 C ATOM 370 CD1 LEU A 26 3.043 3.476 -4.740 1.00 0.00 C ATOM 371 CD2 LEU A 26 3.160 3.157 -7.218 1.00 0.00 C ATOM 0 H LEU A 26 2.973 7.535 -6.031 1.00 0.00 H new ATOM 0 HA LEU A 26 1.905 5.861 -8.217 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.425 5.332 -5.274 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.961 4.329 -6.634 1.00 0.00 H new ATOM 0 HG LEU A 26 3.876 4.851 -6.139 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.962 2.899 -4.640 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.995 4.222 -3.947 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.185 2.808 -4.663 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.078 2.584 -7.084 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.305 2.481 -7.204 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.194 3.678 -8.175 1.00 0.00 H new ATOM 383 N GLN A 27 -0.541 6.543 -7.529 1.00 0.00 N ATOM 384 CA GLN A 27 -1.807 7.262 -7.455 1.00 0.00 C ATOM 385 C GLN A 27 -2.851 6.450 -6.697 1.00 0.00 C ATOM 386 O GLN A 27 -2.630 5.283 -6.373 1.00 0.00 O ATOM 387 CB GLN A 27 -2.317 7.585 -8.861 1.00 0.00 C ATOM 388 CG GLN A 27 -2.813 6.367 -9.622 1.00 0.00 C ATOM 389 CD GLN A 27 -3.721 6.732 -10.780 1.00 0.00 C ATOM 390 OE1 GLN A 27 -3.255 7.098 -11.859 1.00 0.00 O ATOM 391 NE2 GLN A 27 -5.028 6.635 -10.561 1.00 0.00 N ATOM 0 H GLN A 27 -0.600 5.629 -7.978 1.00 0.00 H new ATOM 0 HA GLN A 27 -1.636 8.193 -6.915 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -3.126 8.311 -8.787 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -1.516 8.057 -9.430 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.958 5.806 -9.999 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.349 5.710 -8.938 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -5.371 6.327 -9.651 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -5.688 6.868 -11.303 1.00 0.00 H new ATOM 400 N LYS A 28 -3.990 7.074 -6.415 1.00 0.00 N ATOM 401 CA LYS A 28 -5.070 6.410 -5.695 1.00 0.00 C ATOM 402 C LYS A 28 -5.661 5.276 -6.527 1.00 0.00 C ATOM 403 O LYS A 28 -6.199 5.502 -7.610 1.00 0.00 O ATOM 404 CB LYS A 28 -6.165 7.417 -5.335 1.00 0.00 C ATOM 405 CG LYS A 28 -7.367 6.789 -4.651 1.00 0.00 C ATOM 406 CD LYS A 28 -8.358 7.843 -4.187 1.00 0.00 C ATOM 407 CE LYS A 28 -9.176 8.388 -5.347 1.00 0.00 C ATOM 408 NZ LYS A 28 -10.320 7.497 -5.686 1.00 0.00 N ATOM 0 H LYS A 28 -4.189 8.040 -6.675 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.657 5.988 -4.779 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.744 8.181 -4.682 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.496 7.921 -6.243 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.860 6.102 -5.339 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.034 6.200 -3.796 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.025 7.413 -3.440 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.822 8.660 -3.703 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.551 9.379 -5.093 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.535 8.504 -6.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.853 7.903 -6.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.961 6.558 -5.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.946 7.406 -4.860 1.00 0.00 H new ATOM 422 N GLY A 29 -5.557 4.054 -6.012 1.00 0.00 N ATOM 423 CA GLY A 29 -6.087 2.904 -6.720 1.00 0.00 C ATOM 424 C GLY A 29 -5.021 2.162 -7.502 1.00 0.00 C ATOM 425 O GLY A 29 -5.199 1.871 -8.684 1.00 0.00 O ATOM 0 H GLY A 29 -5.115 3.841 -5.118 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.549 2.223 -6.006 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.872 3.231 -7.402 1.00 0.00 H new ATOM 429 N ASP A 30 -3.909 1.858 -6.841 1.00 0.00 N ATOM 430 CA ASP A 30 -2.809 1.147 -7.482 1.00 0.00 C ATOM 431 C ASP A 30 -2.128 0.201 -6.499 1.00 0.00 C ATOM 432 O ASP A 30 -1.700 0.613 -5.421 1.00 0.00 O ATOM 433 CB ASP A 30 -1.790 2.140 -8.043 1.00 0.00 C ATOM 434 CG ASP A 30 -2.182 2.660 -9.413 1.00 0.00 C ATOM 435 OD1 ASP A 30 -3.336 3.111 -9.568 1.00 0.00 O ATOM 436 OD2 ASP A 30 -1.334 2.615 -10.329 1.00 0.00 O ATOM 0 H ASP A 30 -3.746 2.093 -5.862 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.219 0.557 -8.302 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.688 2.979 -7.355 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.814 1.658 -8.106 1.00 0.00 H new ATOM 441 N ILE A 31 -2.032 -1.069 -6.878 1.00 0.00 N ATOM 442 CA ILE A 31 -1.403 -2.074 -6.030 1.00 0.00 C ATOM 443 C ILE A 31 0.039 -2.328 -6.455 1.00 0.00 C ATOM 444 O ILE A 31 0.390 -2.169 -7.625 1.00 0.00 O ATOM 445 CB ILE A 31 -2.178 -3.404 -6.063 1.00 0.00 C ATOM 446 CG1 ILE A 31 -3.563 -3.229 -5.437 1.00 0.00 C ATOM 447 CG2 ILE A 31 -1.397 -4.490 -5.338 1.00 0.00 C ATOM 448 CD1 ILE A 31 -4.580 -2.623 -6.379 1.00 0.00 C ATOM 0 H ILE A 31 -2.382 -1.426 -7.767 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.416 -1.681 -5.013 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.306 -3.707 -7.102 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.926 -4.200 -5.100 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.476 -2.597 -4.553 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.958 -5.424 -5.370 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.431 -4.630 -5.824 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.242 -4.195 -4.300 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.538 -2.528 -5.868 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.240 -1.638 -6.697 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.696 -3.266 -7.252 1.00 0.00 H new ATOM 460 N VAL A 32 0.872 -2.725 -5.498 1.00 0.00 N ATOM 461 CA VAL A 32 2.276 -3.005 -5.774 1.00 0.00 C ATOM 462 C VAL A 32 2.752 -4.234 -5.009 1.00 0.00 C ATOM 463 O VAL A 32 2.055 -4.739 -4.129 1.00 0.00 O ATOM 464 CB VAL A 32 3.170 -1.806 -5.405 1.00 0.00 C ATOM 465 CG1 VAL A 32 2.680 -0.542 -6.096 1.00 0.00 C ATOM 466 CG2 VAL A 32 3.210 -1.617 -3.896 1.00 0.00 C ATOM 0 H VAL A 32 0.599 -2.860 -4.525 1.00 0.00 H new ATOM 0 HA VAL A 32 2.357 -3.193 -6.845 1.00 0.00 H new ATOM 0 HB VAL A 32 4.184 -2.010 -5.750 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.324 0.294 -5.824 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.707 -0.684 -7.176 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.657 -0.330 -5.784 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.846 -0.766 -3.653 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.201 -1.434 -3.525 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.611 -2.516 -3.427 1.00 0.00 H new ATOM 476 N TYR A 33 3.944 -4.711 -5.349 1.00 0.00 N ATOM 477 CA TYR A 33 4.514 -5.883 -4.695 1.00 0.00 C ATOM 478 C TYR A 33 5.677 -5.490 -3.788 1.00 0.00 C ATOM 479 O TYR A 33 6.523 -4.678 -4.163 1.00 0.00 O ATOM 480 CB TYR A 33 4.987 -6.896 -5.739 1.00 0.00 C ATOM 481 CG TYR A 33 3.875 -7.426 -6.616 1.00 0.00 C ATOM 482 CD1 TYR A 33 3.271 -6.617 -7.571 1.00 0.00 C ATOM 483 CD2 TYR A 33 3.428 -8.736 -6.490 1.00 0.00 C ATOM 484 CE1 TYR A 33 2.254 -7.097 -8.373 1.00 0.00 C ATOM 485 CE2 TYR A 33 2.413 -9.225 -7.289 1.00 0.00 C ATOM 486 CZ TYR A 33 1.828 -8.401 -8.228 1.00 0.00 C ATOM 487 OH TYR A 33 0.817 -8.883 -9.027 1.00 0.00 O ATOM 0 H TYR A 33 4.535 -4.304 -6.074 1.00 0.00 H new ATOM 0 HA TYR A 33 3.737 -6.339 -4.082 1.00 0.00 H new ATOM 0 HB2 TYR A 33 5.744 -6.429 -6.369 1.00 0.00 H new ATOM 0 HB3 TYR A 33 5.467 -7.732 -5.230 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.602 -5.596 -7.688 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.882 -9.383 -5.754 1.00 0.00 H new ATOM 0 HE1 TYR A 33 1.795 -6.455 -9.110 1.00 0.00 H new ATOM 0 HE2 TYR A 33 2.079 -10.246 -7.179 1.00 0.00 H new ATOM 0 HH TYR A 33 0.638 -9.819 -8.799 1.00 0.00 H new ATOM 497 N ILE A 34 5.710 -6.073 -2.595 1.00 0.00 N ATOM 498 CA ILE A 34 6.769 -5.786 -1.635 1.00 0.00 C ATOM 499 C ILE A 34 7.811 -6.899 -1.617 1.00 0.00 C ATOM 500 O ILE A 34 7.568 -7.984 -1.088 1.00 0.00 O ATOM 501 CB ILE A 34 6.206 -5.603 -0.214 1.00 0.00 C ATOM 502 CG1 ILE A 34 5.248 -4.410 -0.171 1.00 0.00 C ATOM 503 CG2 ILE A 34 7.338 -5.415 0.785 1.00 0.00 C ATOM 504 CD1 ILE A 34 3.870 -4.722 -0.713 1.00 0.00 C ATOM 0 H ILE A 34 5.016 -6.746 -2.270 1.00 0.00 H new ATOM 0 HA ILE A 34 7.240 -4.856 -1.953 1.00 0.00 H new ATOM 0 HB ILE A 34 5.652 -6.501 0.059 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.155 -4.066 0.859 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.678 -3.588 -0.744 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.923 -5.287 1.785 1.00 0.00 H new ATOM 0 HG22 ILE A 34 7.986 -6.292 0.770 1.00 0.00 H new ATOM 0 HG23 ILE A 34 7.917 -4.532 0.517 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.245 -3.831 -0.652 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.951 -5.038 -1.753 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.420 -5.522 -0.125 1.00 0.00 H new ATOM 516 N HIS A 35 8.975 -6.622 -2.197 1.00 0.00 N ATOM 517 CA HIS A 35 10.057 -7.600 -2.246 1.00 0.00 C ATOM 518 C HIS A 35 10.786 -7.670 -0.907 1.00 0.00 C ATOM 519 O HIS A 35 11.028 -8.754 -0.376 1.00 0.00 O ATOM 520 CB HIS A 35 11.043 -7.246 -3.359 1.00 0.00 C ATOM 521 CG HIS A 35 11.924 -8.387 -3.764 1.00 0.00 C ATOM 522 ND1 HIS A 35 13.196 -8.213 -4.267 1.00 0.00 N ATOM 523 CD2 HIS A 35 11.711 -9.723 -3.736 1.00 0.00 C ATOM 524 CE1 HIS A 35 13.727 -9.394 -4.532 1.00 0.00 C ATOM 525 NE2 HIS A 35 12.846 -10.327 -4.219 1.00 0.00 N ATOM 0 H HIS A 35 9.193 -5.729 -2.639 1.00 0.00 H new ATOM 0 HA HIS A 35 9.622 -8.577 -2.455 1.00 0.00 H new ATOM 0 HB2 HIS A 35 10.486 -6.901 -4.230 1.00 0.00 H new ATOM 0 HB3 HIS A 35 11.667 -6.415 -3.030 1.00 0.00 H new ATOM 0 HD2 HIS A 35 10.815 -10.222 -3.397 1.00 0.00 H new ATOM 0 HE1 HIS A 35 14.714 -9.567 -4.936 1.00 0.00 H new ATOM 0 HE2 HIS A 35 12.986 -11.332 -4.320 1.00 0.00 H new ATOM 533 N LYS A 36 11.134 -6.507 -0.367 1.00 0.00 N ATOM 534 CA LYS A 36 11.836 -6.435 0.909 1.00 0.00 C ATOM 535 C LYS A 36 11.254 -5.332 1.788 1.00 0.00 C ATOM 536 O LYS A 36 10.381 -4.580 1.358 1.00 0.00 O ATOM 537 CB LYS A 36 13.328 -6.186 0.681 1.00 0.00 C ATOM 538 CG LYS A 36 13.650 -4.765 0.252 1.00 0.00 C ATOM 539 CD LYS A 36 15.149 -4.527 0.189 1.00 0.00 C ATOM 540 CE LYS A 36 15.740 -4.324 1.575 1.00 0.00 C ATOM 541 NZ LYS A 36 17.206 -4.067 1.521 1.00 0.00 N ATOM 0 H LYS A 36 10.941 -5.601 -0.794 1.00 0.00 H new ATOM 0 HA LYS A 36 11.708 -7.389 1.420 1.00 0.00 H new ATOM 0 HB2 LYS A 36 13.870 -6.410 1.600 1.00 0.00 H new ATOM 0 HB3 LYS A 36 13.691 -6.877 -0.080 1.00 0.00 H new ATOM 0 HG2 LYS A 36 13.209 -4.570 -0.725 1.00 0.00 H new ATOM 0 HG3 LYS A 36 13.198 -4.062 0.952 1.00 0.00 H new ATOM 0 HD2 LYS A 36 15.633 -5.376 -0.293 1.00 0.00 H new ATOM 0 HD3 LYS A 36 15.354 -3.651 -0.427 1.00 0.00 H new ATOM 0 HE2 LYS A 36 15.242 -3.486 2.063 1.00 0.00 H new ATOM 0 HE3 LYS A 36 15.548 -5.207 2.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 17.571 -3.934 2.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 17.684 -4.877 1.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 17.388 -3.210 0.961 1.00 0.00 H new ATOM 555 N GLU A 37 11.747 -5.241 3.019 1.00 0.00 N ATOM 556 CA GLU A 37 11.276 -4.229 3.957 1.00 0.00 C ATOM 557 C GLU A 37 12.411 -3.295 4.366 1.00 0.00 C ATOM 558 O GLU A 37 13.457 -3.741 4.839 1.00 0.00 O ATOM 559 CB GLU A 37 10.674 -4.892 5.198 1.00 0.00 C ATOM 560 CG GLU A 37 9.801 -3.961 6.023 1.00 0.00 C ATOM 561 CD GLU A 37 9.361 -4.583 7.333 1.00 0.00 C ATOM 562 OE1 GLU A 37 10.238 -4.896 8.166 1.00 0.00 O ATOM 563 OE2 GLU A 37 8.139 -4.758 7.527 1.00 0.00 O ATOM 0 H GLU A 37 12.472 -5.855 3.390 1.00 0.00 H new ATOM 0 HA GLU A 37 10.506 -3.640 3.459 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.081 -5.753 4.888 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.481 -5.270 5.825 1.00 0.00 H new ATOM 0 HG2 GLU A 37 10.349 -3.041 6.228 1.00 0.00 H new ATOM 0 HG3 GLU A 37 8.921 -3.685 5.442 1.00 0.00 H new ATOM 570 N VAL A 38 12.198 -1.997 4.180 1.00 0.00 N ATOM 571 CA VAL A 38 13.202 -0.999 4.529 1.00 0.00 C ATOM 572 C VAL A 38 13.153 -0.667 6.016 1.00 0.00 C ATOM 573 O VAL A 38 14.099 -0.940 6.756 1.00 0.00 O ATOM 574 CB VAL A 38 13.013 0.297 3.718 1.00 0.00 C ATOM 575 CG1 VAL A 38 14.126 1.286 4.025 1.00 0.00 C ATOM 576 CG2 VAL A 38 12.955 -0.010 2.230 1.00 0.00 C ATOM 0 H VAL A 38 11.338 -1.611 3.789 1.00 0.00 H new ATOM 0 HA VAL A 38 14.173 -1.430 4.288 1.00 0.00 H new ATOM 0 HB VAL A 38 12.066 0.752 4.008 1.00 0.00 H new ATOM 0 HG11 VAL A 38 13.976 2.195 3.443 1.00 0.00 H new ATOM 0 HG12 VAL A 38 14.114 1.529 5.087 1.00 0.00 H new ATOM 0 HG13 VAL A 38 15.088 0.844 3.765 1.00 0.00 H new ATOM 0 HG21 VAL A 38 12.821 0.917 1.672 1.00 0.00 H new ATOM 0 HG22 VAL A 38 13.884 -0.489 1.921 1.00 0.00 H new ATOM 0 HG23 VAL A 38 12.118 -0.679 2.029 1.00 0.00 H new ATOM 586 N ASP A 39 12.044 -0.077 6.448 1.00 0.00 N ATOM 587 CA ASP A 39 11.870 0.292 7.848 1.00 0.00 C ATOM 588 C ASP A 39 10.547 -0.241 8.390 1.00 0.00 C ATOM 589 O ASP A 39 9.768 -0.857 7.662 1.00 0.00 O ATOM 590 CB ASP A 39 11.926 1.812 8.009 1.00 0.00 C ATOM 591 CG ASP A 39 12.475 2.232 9.358 1.00 0.00 C ATOM 592 OD1 ASP A 39 13.649 1.917 9.644 1.00 0.00 O ATOM 593 OD2 ASP A 39 11.731 2.876 10.127 1.00 0.00 O ATOM 0 H ASP A 39 11.252 0.156 5.849 1.00 0.00 H new ATOM 0 HA ASP A 39 12.683 -0.156 8.419 1.00 0.00 H new ATOM 0 HB2 ASP A 39 12.547 2.235 7.220 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.925 2.225 7.883 1.00 0.00 H new ATOM 598 N LYS A 40 10.299 -0.001 9.673 1.00 0.00 N ATOM 599 CA LYS A 40 9.071 -0.455 10.313 1.00 0.00 C ATOM 600 C LYS A 40 7.845 0.034 9.549 1.00 0.00 C ATOM 601 O LYS A 40 6.858 -0.688 9.412 1.00 0.00 O ATOM 602 CB LYS A 40 9.013 0.038 11.761 1.00 0.00 C ATOM 603 CG LYS A 40 9.839 -0.799 12.722 1.00 0.00 C ATOM 604 CD LYS A 40 11.327 -0.642 12.462 1.00 0.00 C ATOM 605 CE LYS A 40 12.140 -0.844 13.731 1.00 0.00 C ATOM 606 NZ LYS A 40 12.097 0.354 14.614 1.00 0.00 N ATOM 0 H LYS A 40 10.933 0.506 10.290 1.00 0.00 H new ATOM 0 HA LYS A 40 9.070 -1.545 10.306 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.362 1.070 11.799 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.975 0.040 12.094 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.615 -0.504 13.747 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.560 -1.848 12.624 1.00 0.00 H new ATOM 0 HD2 LYS A 40 11.643 -1.362 11.708 1.00 0.00 H new ATOM 0 HD3 LYS A 40 11.524 0.351 12.057 1.00 0.00 H new ATOM 0 HE2 LYS A 40 11.758 -1.709 14.273 1.00 0.00 H new ATOM 0 HE3 LYS A 40 13.175 -1.064 13.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 12.677 0.183 15.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 12.469 1.178 14.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.114 0.540 14.900 1.00 0.00 H new ATOM 620 N ASN A 41 7.916 1.265 9.052 1.00 0.00 N ATOM 621 CA ASN A 41 6.811 1.850 8.300 1.00 0.00 C ATOM 622 C ASN A 41 7.237 2.172 6.871 1.00 0.00 C ATOM 623 O ASN A 41 6.581 2.950 6.178 1.00 0.00 O ATOM 624 CB ASN A 41 6.311 3.119 8.993 1.00 0.00 C ATOM 625 CG ASN A 41 5.281 2.824 10.066 1.00 0.00 C ATOM 626 OD1 ASN A 41 4.011 3.035 9.740 1.00 0.00 O flip ATOM 627 ND2 ASN A 41 5.623 2.412 11.175 1.00 0.00 N flip ATOM 0 H ASN A 41 8.726 1.876 9.156 1.00 0.00 H new ATOM 0 HA ASN A 41 6.002 1.121 8.264 1.00 0.00 H new ATOM 0 HB2 ASN A 41 7.156 3.643 9.439 1.00 0.00 H new ATOM 0 HB3 ASN A 41 5.877 3.788 8.250 1.00 0.00 H new ATOM 0 HD21 ASN A 41 6.611 2.264 11.382 1.00 0.00 H new ATOM 0 HD22 ASN A 41 4.918 2.219 11.887 1.00 0.00 H new ATOM 634 N TRP A 42 8.336 1.567 6.437 1.00 0.00 N ATOM 635 CA TRP A 42 8.849 1.789 5.089 1.00 0.00 C ATOM 636 C TRP A 42 9.064 0.465 4.364 1.00 0.00 C ATOM 637 O TRP A 42 9.812 -0.395 4.830 1.00 0.00 O ATOM 638 CB TRP A 42 10.161 2.574 5.143 1.00 0.00 C ATOM 639 CG TRP A 42 9.970 4.030 5.444 1.00 0.00 C ATOM 640 CD1 TRP A 42 10.177 4.653 6.642 1.00 0.00 C ATOM 641 CD2 TRP A 42 9.531 5.043 4.533 1.00 0.00 C ATOM 642 NE1 TRP A 42 9.894 5.993 6.529 1.00 0.00 N ATOM 643 CE2 TRP A 42 9.496 6.257 5.245 1.00 0.00 C ATOM 644 CE3 TRP A 42 9.166 5.043 3.184 1.00 0.00 C ATOM 645 CZ2 TRP A 42 9.110 7.457 4.653 1.00 0.00 C ATOM 646 CZ3 TRP A 42 8.783 6.234 2.598 1.00 0.00 C ATOM 647 CH2 TRP A 42 8.758 7.428 3.331 1.00 0.00 C ATOM 0 H TRP A 42 8.889 0.919 6.998 1.00 0.00 H new ATOM 0 HA TRP A 42 8.110 2.369 4.536 1.00 0.00 H new ATOM 0 HB2 TRP A 42 10.808 2.135 5.903 1.00 0.00 H new ATOM 0 HB3 TRP A 42 10.677 2.472 4.188 1.00 0.00 H new ATOM 0 HD1 TRP A 42 10.513 4.165 7.545 1.00 0.00 H new ATOM 0 HE1 TRP A 42 9.968 6.680 7.280 1.00 0.00 H new ATOM 0 HE3 TRP A 42 9.183 4.128 2.610 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 9.089 8.378 5.217 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 8.498 6.245 1.556 1.00 0.00 H new ATOM 0 HH2 TRP A 42 8.455 8.343 2.843 1.00 0.00 H new ATOM 658 N LEU A 43 8.404 0.307 3.222 1.00 0.00 N ATOM 659 CA LEU A 43 8.524 -0.913 2.432 1.00 0.00 C ATOM 660 C LEU A 43 9.403 -0.684 1.206 1.00 0.00 C ATOM 661 O LEU A 43 9.865 0.429 0.962 1.00 0.00 O ATOM 662 CB LEU A 43 7.140 -1.401 1.998 1.00 0.00 C ATOM 663 CG LEU A 43 6.100 -1.544 3.109 1.00 0.00 C ATOM 664 CD1 LEU A 43 6.551 -2.573 4.134 1.00 0.00 C ATOM 665 CD2 LEU A 43 5.845 -0.200 3.777 1.00 0.00 C ATOM 0 H LEU A 43 7.780 1.008 2.823 1.00 0.00 H new ATOM 0 HA LEU A 43 8.993 -1.675 3.055 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.751 -0.710 1.250 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.255 -2.368 1.509 1.00 0.00 H new ATOM 0 HG LEU A 43 5.167 -1.890 2.664 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.798 -2.661 4.917 1.00 0.00 H new ATOM 0 HD12 LEU A 43 6.682 -3.539 3.646 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.497 -2.258 4.574 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.102 -0.321 4.565 1.00 0.00 H new ATOM 0 HD22 LEU A 43 6.774 0.174 4.208 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.476 0.510 3.037 1.00 0.00 H new ATOM 677 N GLU A 44 9.627 -1.746 0.438 1.00 0.00 N ATOM 678 CA GLU A 44 10.449 -1.660 -0.763 1.00 0.00 C ATOM 679 C GLU A 44 9.858 -2.504 -1.888 1.00 0.00 C ATOM 680 O GLU A 44 9.815 -3.731 -1.802 1.00 0.00 O ATOM 681 CB GLU A 44 11.878 -2.117 -0.463 1.00 0.00 C ATOM 682 CG GLU A 44 12.831 -1.942 -1.634 1.00 0.00 C ATOM 683 CD GLU A 44 14.263 -1.712 -1.192 1.00 0.00 C ATOM 684 OE1 GLU A 44 14.467 -1.335 -0.019 1.00 0.00 O ATOM 685 OE2 GLU A 44 15.178 -1.909 -2.018 1.00 0.00 O ATOM 0 H GLU A 44 9.251 -2.675 0.626 1.00 0.00 H new ATOM 0 HA GLU A 44 10.469 -0.619 -1.086 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.258 -1.556 0.391 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.861 -3.168 -0.173 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.788 -2.828 -2.268 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.503 -1.099 -2.242 1.00 0.00 H new ATOM 692 N GLY A 45 9.403 -1.837 -2.945 1.00 0.00 N ATOM 693 CA GLY A 45 8.821 -2.542 -4.072 1.00 0.00 C ATOM 694 C GLY A 45 9.343 -2.038 -5.403 1.00 0.00 C ATOM 695 O GLY A 45 10.055 -1.035 -5.458 1.00 0.00 O ATOM 0 H GLY A 45 9.427 -0.822 -3.041 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.036 -3.607 -3.981 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.737 -2.432 -4.045 1.00 0.00 H new ATOM 699 N GLU A 46 8.989 -2.735 -6.478 1.00 0.00 N ATOM 700 CA GLU A 46 9.430 -2.353 -7.815 1.00 0.00 C ATOM 701 C GLU A 46 8.309 -2.545 -8.832 1.00 0.00 C ATOM 702 O GLU A 46 7.729 -3.627 -8.938 1.00 0.00 O ATOM 703 CB GLU A 46 10.654 -3.173 -8.227 1.00 0.00 C ATOM 704 CG GLU A 46 10.323 -4.601 -8.629 1.00 0.00 C ATOM 705 CD GLU A 46 11.509 -5.535 -8.494 1.00 0.00 C ATOM 706 OE1 GLU A 46 12.657 -5.045 -8.540 1.00 0.00 O ATOM 707 OE2 GLU A 46 11.290 -6.755 -8.344 1.00 0.00 O ATOM 0 H GLU A 46 8.399 -3.566 -6.450 1.00 0.00 H new ATOM 0 HA GLU A 46 9.701 -1.297 -7.793 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.150 -2.676 -9.060 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.363 -3.193 -7.399 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.504 -4.968 -8.010 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.972 -4.612 -9.661 1.00 0.00 H new ATOM 798 N GLY A 52 11.457 1.789 -6.387 1.00 0.00 N ATOM 799 CA GLY A 52 11.919 2.575 -5.258 1.00 0.00 C ATOM 800 C GLY A 52 11.370 2.071 -3.938 1.00 0.00 C ATOM 801 O GLY A 52 11.454 0.880 -3.637 1.00 0.00 O ATOM 0 HA2 GLY A 52 13.008 2.555 -5.226 1.00 0.00 H new ATOM 0 HA3 GLY A 52 11.623 3.615 -5.398 1.00 0.00 H new ATOM 805 N ILE A 53 10.808 2.979 -3.147 1.00 0.00 N ATOM 806 CA ILE A 53 10.244 2.619 -1.852 1.00 0.00 C ATOM 807 C ILE A 53 9.010 3.458 -1.538 1.00 0.00 C ATOM 808 O ILE A 53 8.755 4.474 -2.185 1.00 0.00 O ATOM 809 CB ILE A 53 11.274 2.797 -0.721 1.00 0.00 C ATOM 810 CG1 ILE A 53 11.763 4.246 -0.670 1.00 0.00 C ATOM 811 CG2 ILE A 53 12.443 1.844 -0.915 1.00 0.00 C ATOM 812 CD1 ILE A 53 12.563 4.570 0.572 1.00 0.00 C ATOM 0 H ILE A 53 10.731 3.969 -3.380 1.00 0.00 H new ATOM 0 HA ILE A 53 9.960 1.568 -1.912 1.00 0.00 H new ATOM 0 HB ILE A 53 10.793 2.562 0.229 1.00 0.00 H new ATOM 0 HG12 ILE A 53 12.376 4.445 -1.549 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.903 4.913 -0.723 1.00 0.00 H new ATOM 0 HG21 ILE A 53 13.163 1.982 -0.108 1.00 0.00 H new ATOM 0 HG22 ILE A 53 12.080 0.816 -0.906 1.00 0.00 H new ATOM 0 HG23 ILE A 53 12.926 2.050 -1.870 1.00 0.00 H new ATOM 0 HD11 ILE A 53 12.877 5.613 0.541 1.00 0.00 H new ATOM 0 HD12 ILE A 53 11.947 4.403 1.456 1.00 0.00 H new ATOM 0 HD13 ILE A 53 13.443 3.928 0.616 1.00 0.00 H new ATOM 824 N PHE A 54 8.248 3.028 -0.538 1.00 0.00 N ATOM 825 CA PHE A 54 7.040 3.740 -0.136 1.00 0.00 C ATOM 826 C PHE A 54 6.669 3.410 1.307 1.00 0.00 C ATOM 827 O PHE A 54 7.018 2.356 1.839 1.00 0.00 O ATOM 828 CB PHE A 54 5.879 3.384 -1.067 1.00 0.00 C ATOM 829 CG PHE A 54 5.677 1.905 -1.235 1.00 0.00 C ATOM 830 CD1 PHE A 54 6.447 1.185 -2.134 1.00 0.00 C ATOM 831 CD2 PHE A 54 4.717 1.235 -0.493 1.00 0.00 C ATOM 832 CE1 PHE A 54 6.262 -0.176 -2.291 1.00 0.00 C ATOM 833 CE2 PHE A 54 4.529 -0.126 -0.646 1.00 0.00 C ATOM 834 CZ PHE A 54 5.303 -0.832 -1.545 1.00 0.00 C ATOM 0 H PHE A 54 8.445 2.190 0.009 1.00 0.00 H new ATOM 0 HA PHE A 54 7.238 4.810 -0.206 1.00 0.00 H new ATOM 0 HB2 PHE A 54 4.962 3.826 -0.677 1.00 0.00 H new ATOM 0 HB3 PHE A 54 6.057 3.832 -2.045 1.00 0.00 H new ATOM 0 HD1 PHE A 54 7.200 1.693 -2.719 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.109 1.782 0.212 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.867 -0.726 -2.997 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.777 -0.637 -0.063 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.159 -1.896 -1.665 1.00 0.00 H new ATOM 844 N PRO A 55 5.945 4.333 1.957 1.00 0.00 N ATOM 845 CA PRO A 55 5.510 4.164 3.347 1.00 0.00 C ATOM 846 C PRO A 55 4.445 3.082 3.494 1.00 0.00 C ATOM 847 O PRO A 55 3.838 2.658 2.511 1.00 0.00 O ATOM 848 CB PRO A 55 4.933 5.535 3.707 1.00 0.00 C ATOM 849 CG PRO A 55 4.514 6.124 2.405 1.00 0.00 C ATOM 850 CD PRO A 55 5.493 5.612 1.385 1.00 0.00 C ATOM 0 HA PRO A 55 6.328 3.847 3.994 1.00 0.00 H new ATOM 0 HB2 PRO A 55 4.088 5.442 4.389 1.00 0.00 H new ATOM 0 HB3 PRO A 55 5.676 6.159 4.203 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.496 5.828 2.152 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.528 7.213 2.447 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.023 5.473 0.411 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.323 6.304 1.242 1.00 0.00 H new ATOM 858 N ALA A 56 4.222 2.641 4.727 1.00 0.00 N ATOM 859 CA ALA A 56 3.228 1.611 5.003 1.00 0.00 C ATOM 860 C ALA A 56 1.845 2.222 5.197 1.00 0.00 C ATOM 861 O ALA A 56 0.897 1.870 4.496 1.00 0.00 O ATOM 862 CB ALA A 56 3.629 0.806 6.230 1.00 0.00 C ATOM 0 H ALA A 56 4.717 2.981 5.552 1.00 0.00 H new ATOM 0 HA ALA A 56 3.184 0.943 4.143 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.878 0.041 6.424 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.594 0.331 6.054 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.703 1.469 7.092 1.00 0.00 H new ATOM 868 N ASN A 57 1.736 3.138 6.154 1.00 0.00 N ATOM 869 CA ASN A 57 0.467 3.796 6.441 1.00 0.00 C ATOM 870 C ASN A 57 -0.296 4.092 5.154 1.00 0.00 C ATOM 871 O ASN A 57 -1.455 3.703 5.003 1.00 0.00 O ATOM 872 CB ASN A 57 0.706 5.094 7.215 1.00 0.00 C ATOM 873 CG ASN A 57 1.943 5.027 8.090 1.00 0.00 C ATOM 874 OD1 ASN A 57 2.940 5.843 7.768 1.00 0.00 O flip ATOM 875 ND2 ASN A 57 2.001 4.250 9.043 1.00 0.00 N flip ATOM 0 H ASN A 57 2.511 3.441 6.744 1.00 0.00 H new ATOM 0 HA ASN A 57 -0.134 3.121 7.051 1.00 0.00 H new ATOM 0 HB2 ASN A 57 0.807 5.920 6.511 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -0.164 5.309 7.836 1.00 0.00 H new ATOM 0 HD21 ASN A 57 1.210 3.641 9.253 1.00 0.00 H new ATOM 0 HD22 ASN A 57 2.840 4.215 9.622 1.00 0.00 H new ATOM 882 N TYR A 58 0.361 4.780 4.227 1.00 0.00 N ATOM 883 CA TYR A 58 -0.255 5.130 2.953 1.00 0.00 C ATOM 884 C TYR A 58 -1.115 3.982 2.431 1.00 0.00 C ATOM 885 O TYR A 58 -2.204 4.199 1.899 1.00 0.00 O ATOM 886 CB TYR A 58 0.818 5.486 1.924 1.00 0.00 C ATOM 887 CG TYR A 58 1.175 6.956 1.905 1.00 0.00 C ATOM 888 CD1 TYR A 58 2.042 7.492 2.848 1.00 0.00 C ATOM 889 CD2 TYR A 58 0.643 7.807 0.945 1.00 0.00 C ATOM 890 CE1 TYR A 58 2.370 8.834 2.835 1.00 0.00 C ATOM 891 CE2 TYR A 58 0.966 9.150 0.923 1.00 0.00 C ATOM 892 CZ TYR A 58 1.830 9.659 1.870 1.00 0.00 C ATOM 893 OH TYR A 58 2.154 10.996 1.853 1.00 0.00 O ATOM 0 H TYR A 58 1.321 5.107 4.334 1.00 0.00 H new ATOM 0 HA TYR A 58 -0.896 5.997 3.114 1.00 0.00 H new ATOM 0 HB2 TYR A 58 1.716 4.905 2.133 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.471 5.192 0.933 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.467 6.849 3.604 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -0.035 7.412 0.203 1.00 0.00 H new ATOM 0 HE1 TYR A 58 3.045 9.235 3.576 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.544 9.798 0.169 1.00 0.00 H new ATOM 0 HH TYR A 58 1.690 11.436 1.110 1.00 0.00 H new ATOM 903 N VAL A 59 -0.617 2.760 2.588 1.00 0.00 N ATOM 904 CA VAL A 59 -1.339 1.577 2.135 1.00 0.00 C ATOM 905 C VAL A 59 -1.664 0.651 3.302 1.00 0.00 C ATOM 906 O VAL A 59 -1.294 0.923 4.443 1.00 0.00 O ATOM 907 CB VAL A 59 -0.530 0.794 1.083 1.00 0.00 C ATOM 908 CG1 VAL A 59 -0.239 1.670 -0.126 1.00 0.00 C ATOM 909 CG2 VAL A 59 0.760 0.264 1.691 1.00 0.00 C ATOM 0 H VAL A 59 0.283 2.563 3.025 1.00 0.00 H new ATOM 0 HA VAL A 59 -2.267 1.927 1.683 1.00 0.00 H new ATOM 0 HB VAL A 59 -1.125 -0.057 0.750 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.333 1.101 -0.859 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.178 1.997 -0.573 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.337 2.541 0.186 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.319 -0.287 0.935 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.362 1.098 2.052 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.524 -0.400 2.523 1.00 0.00 H new ATOM 919 N GLU A 60 -2.358 -0.444 3.006 1.00 0.00 N ATOM 920 CA GLU A 60 -2.733 -1.410 4.032 1.00 0.00 C ATOM 921 C GLU A 60 -2.909 -2.801 3.430 1.00 0.00 C ATOM 922 O GLU A 60 -3.483 -2.956 2.353 1.00 0.00 O ATOM 923 CB GLU A 60 -4.026 -0.975 4.725 1.00 0.00 C ATOM 924 CG GLU A 60 -4.447 -1.893 5.860 1.00 0.00 C ATOM 925 CD GLU A 60 -3.605 -1.704 7.107 1.00 0.00 C ATOM 926 OE1 GLU A 60 -2.362 -1.713 6.991 1.00 0.00 O ATOM 927 OE2 GLU A 60 -4.190 -1.546 8.199 1.00 0.00 O ATOM 0 H GLU A 60 -2.671 -0.684 2.065 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.930 -1.450 4.768 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.897 0.035 5.114 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.827 -0.933 3.987 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.494 -1.709 6.102 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.373 -2.929 5.530 1.00 0.00 H new ATOM 934 N VAL A 61 -2.409 -3.811 4.135 1.00 0.00 N ATOM 935 CA VAL A 61 -2.511 -5.190 3.673 1.00 0.00 C ATOM 936 C VAL A 61 -3.965 -5.589 3.447 1.00 0.00 C ATOM 937 O VAL A 61 -4.737 -5.727 4.397 1.00 0.00 O ATOM 938 CB VAL A 61 -1.872 -6.168 4.677 1.00 0.00 C ATOM 939 CG1 VAL A 61 -2.032 -7.604 4.200 1.00 0.00 C ATOM 940 CG2 VAL A 61 -0.405 -5.828 4.891 1.00 0.00 C ATOM 0 H VAL A 61 -1.929 -3.700 5.028 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.971 -5.247 2.728 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.387 -6.069 5.633 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.574 -8.280 4.922 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.092 -7.839 4.103 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.544 -7.722 3.232 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.031 -6.529 5.603 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.127 -5.897 3.942 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.320 -4.814 5.281 1.00 0.00 H new