USER MOD reduce.3.24.130724 H: found=0, std=0, add=399, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 398 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 SER OG : rot 40:sc= -0.989! USER MOD Set 1.2: A 19 HIS : no HD1:sc= -1.58 K(o=-2.6,f=-7.5!) USER MOD Single : A 13 HIS : no HD1:sc= -4.1! C(o=-4.1!,f=-6!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 12:sc= 2.13 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 36 GLN : amide:sc= -0.854 X(o=-0.85,f=-1.2) USER MOD Single : A 37 SER OG : rot 19:sc= 0.613 USER MOD Single : A 42 LYS NZ :NH3+ -117:sc= 0.613 (180deg=-1.79!) USER MOD Single : A 44 GLN : amide:sc= -0.749 K(o=-0.75,f=-1.3!) USER MOD Single : A 45 SER OG : rot 132:sc= 0.591 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.117 USER MOD Single : A 50 GLN : amide:sc= -5.31! C(o=-5.3!,f=-5.8!) USER MOD Single : A 57 ASN : amide:sc= -5.41! C(o=-5.4!,f=-5.2!) USER MOD ----------------------------------------------------------------- ATOM 97 N LEU A 8 -1.601 -3.271 18.522 1.00 0.00 N ATOM 98 CA LEU A 8 -0.214 -3.667 18.907 1.00 0.00 C ATOM 99 C LEU A 8 -0.257 -4.647 20.082 1.00 0.00 C ATOM 100 O LEU A 8 -1.076 -4.527 20.972 1.00 0.00 O ATOM 101 CB LEU A 8 0.471 -2.364 19.319 1.00 0.00 C ATOM 102 CG LEU A 8 0.522 -1.412 18.123 1.00 0.00 C ATOM 103 CD1 LEU A 8 1.200 -0.105 18.540 1.00 0.00 C ATOM 104 CD2 LEU A 8 1.318 -2.061 16.989 1.00 0.00 C ATOM 0 HA LEU A 8 0.316 -4.164 18.095 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.072 -1.901 20.143 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.480 -2.569 19.677 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.492 -1.202 17.782 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.237 0.574 17.688 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.633 0.357 19.348 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.214 -0.314 18.881 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.355 -1.383 16.136 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.332 -2.271 17.330 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.835 -2.992 16.692 1.00 0.00 H new ATOM 116 N VAL A 9 0.615 -5.618 20.094 1.00 0.00 N ATOM 117 CA VAL A 9 0.614 -6.601 21.215 1.00 0.00 C ATOM 118 C VAL A 9 2.041 -7.058 21.530 1.00 0.00 C ATOM 119 O VAL A 9 2.962 -6.822 20.774 1.00 0.00 O ATOM 120 CB VAL A 9 -0.218 -7.779 20.706 1.00 0.00 C ATOM 121 CG1 VAL A 9 -1.611 -7.288 20.312 1.00 0.00 C ATOM 122 CG2 VAL A 9 0.469 -8.397 19.487 1.00 0.00 C ATOM 0 H VAL A 9 1.326 -5.773 19.379 1.00 0.00 H new ATOM 0 HA VAL A 9 0.208 -6.174 22.132 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.307 -8.528 21.493 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.204 -8.128 19.949 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.100 -6.847 21.180 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.524 -6.539 19.525 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.123 -9.237 19.123 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.558 -7.648 18.701 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.462 -8.748 19.768 1.00 0.00 H new ATOM 132 N ILE A 10 2.225 -7.721 22.639 1.00 0.00 N ATOM 133 CA ILE A 10 3.585 -8.207 23.004 1.00 0.00 C ATOM 134 C ILE A 10 3.626 -9.734 22.915 1.00 0.00 C ATOM 135 O ILE A 10 2.634 -10.401 23.130 1.00 0.00 O ATOM 136 CB ILE A 10 3.798 -7.746 24.447 1.00 0.00 C ATOM 137 CG1 ILE A 10 3.581 -6.235 24.538 1.00 0.00 C ATOM 138 CG2 ILE A 10 5.224 -8.083 24.886 1.00 0.00 C ATOM 139 CD1 ILE A 10 3.617 -5.800 26.004 1.00 0.00 C ATOM 0 H ILE A 10 1.490 -7.947 23.309 1.00 0.00 H new ATOM 0 HA ILE A 10 4.360 -7.823 22.340 1.00 0.00 H new ATOM 0 HB ILE A 10 3.087 -8.255 25.098 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.353 -5.712 23.974 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.623 -5.967 24.092 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.375 -7.754 25.914 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.379 -9.160 24.823 1.00 0.00 H new ATOM 0 HG23 ILE A 10 5.935 -7.575 24.234 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.462 -4.723 26.068 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.829 -6.313 26.555 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.585 -6.054 26.435 1.00 0.00 H new ATOM 151 N ALA A 11 4.759 -10.297 22.597 1.00 0.00 N ATOM 152 CA ALA A 11 4.843 -11.781 22.492 1.00 0.00 C ATOM 153 C ALA A 11 4.981 -12.406 23.883 1.00 0.00 C ATOM 154 O ALA A 11 5.983 -12.247 24.546 1.00 0.00 O ATOM 155 CB ALA A 11 6.096 -12.048 21.658 1.00 0.00 C ATOM 0 H ALA A 11 5.627 -9.796 22.406 1.00 0.00 H new ATOM 0 HA ALA A 11 3.951 -12.213 22.039 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.229 -13.123 21.535 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.988 -11.581 20.679 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.966 -11.631 22.165 1.00 0.00 H new ATOM 161 N LEU A 12 3.988 -13.127 24.325 1.00 0.00 N ATOM 162 CA LEU A 12 4.083 -13.768 25.668 1.00 0.00 C ATOM 163 C LEU A 12 5.123 -14.888 25.618 1.00 0.00 C ATOM 164 O LEU A 12 5.724 -15.242 26.613 1.00 0.00 O ATOM 165 CB LEU A 12 2.689 -14.335 25.940 1.00 0.00 C ATOM 166 CG LEU A 12 1.660 -13.204 25.884 1.00 0.00 C ATOM 167 CD1 LEU A 12 0.264 -13.769 26.151 1.00 0.00 C ATOM 168 CD2 LEU A 12 1.998 -12.154 26.946 1.00 0.00 C ATOM 0 H LEU A 12 3.120 -13.300 23.819 1.00 0.00 H new ATOM 0 HA LEU A 12 4.388 -13.072 26.449 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.445 -15.100 25.203 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.664 -14.816 26.918 1.00 0.00 H new ATOM 0 HG LEU A 12 1.681 -12.743 24.897 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.469 -12.963 26.111 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.023 -14.516 25.395 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.241 -14.231 27.138 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.265 -11.348 26.907 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.977 -12.615 27.933 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.992 -11.750 26.755 1.00 0.00 H new ATOM 180 N HIS A 13 5.338 -15.442 24.457 1.00 0.00 N ATOM 181 CA HIS A 13 6.338 -16.538 24.315 1.00 0.00 C ATOM 182 C HIS A 13 6.842 -16.586 22.870 1.00 0.00 C ATOM 183 O HIS A 13 6.145 -16.208 21.951 1.00 0.00 O ATOM 184 CB HIS A 13 5.573 -17.814 24.659 1.00 0.00 C ATOM 185 CG HIS A 13 5.301 -17.851 26.137 1.00 0.00 C ATOM 186 ND1 HIS A 13 4.144 -17.322 26.689 1.00 0.00 N ATOM 187 CD2 HIS A 13 6.026 -18.349 27.191 1.00 0.00 C ATOM 188 CE1 HIS A 13 4.206 -17.512 28.020 1.00 0.00 C ATOM 189 NE2 HIS A 13 5.332 -18.133 28.379 1.00 0.00 N ATOM 0 H HIS A 13 4.861 -15.181 23.594 1.00 0.00 H new ATOM 0 HA HIS A 13 7.208 -16.402 24.958 1.00 0.00 H new ATOM 0 HB2 HIS A 13 4.635 -17.849 24.105 1.00 0.00 H new ATOM 0 HB3 HIS A 13 6.152 -18.689 24.363 1.00 0.00 H new ATOM 0 HD2 HIS A 13 6.988 -18.834 27.111 1.00 0.00 H new ATOM 0 HE1 HIS A 13 3.439 -17.200 28.713 1.00 0.00 H new ATOM 0 HE2 HIS A 13 5.622 -18.393 29.322 1.00 0.00 H new ATOM 197 N SER A 14 8.042 -17.049 22.654 1.00 0.00 N ATOM 198 CA SER A 14 8.569 -17.115 21.260 1.00 0.00 C ATOM 199 C SER A 14 7.734 -18.094 20.433 1.00 0.00 C ATOM 200 O SER A 14 7.313 -19.126 20.918 1.00 0.00 O ATOM 201 CB SER A 14 10.005 -17.621 21.402 1.00 0.00 C ATOM 202 OG SER A 14 9.993 -19.024 21.619 1.00 0.00 O ATOM 0 H SER A 14 8.678 -17.383 23.378 1.00 0.00 H new ATOM 0 HA SER A 14 8.527 -16.151 20.754 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.575 -17.386 20.503 1.00 0.00 H new ATOM 0 HB3 SER A 14 10.499 -17.118 22.233 1.00 0.00 H new ATOM 0 HG SER A 14 10.913 -19.349 21.708 1.00 0.00 H new ATOM 208 N TYR A 15 7.491 -17.788 19.187 1.00 0.00 N ATOM 209 CA TYR A 15 6.685 -18.717 18.344 1.00 0.00 C ATOM 210 C TYR A 15 7.601 -19.511 17.410 1.00 0.00 C ATOM 211 O TYR A 15 8.752 -19.174 17.219 1.00 0.00 O ATOM 212 CB TYR A 15 5.743 -17.819 17.543 1.00 0.00 C ATOM 213 CG TYR A 15 4.852 -18.678 16.679 1.00 0.00 C ATOM 214 CD1 TYR A 15 3.660 -19.193 17.202 1.00 0.00 C ATOM 215 CD2 TYR A 15 5.219 -18.963 15.359 1.00 0.00 C ATOM 216 CE1 TYR A 15 2.834 -19.994 16.404 1.00 0.00 C ATOM 217 CE2 TYR A 15 4.392 -19.763 14.560 1.00 0.00 C ATOM 218 CZ TYR A 15 3.199 -20.278 15.082 1.00 0.00 C ATOM 219 OH TYR A 15 2.385 -21.067 14.296 1.00 0.00 O ATOM 0 H TYR A 15 7.813 -16.941 18.719 1.00 0.00 H new ATOM 0 HA TYR A 15 6.136 -19.444 18.942 1.00 0.00 H new ATOM 0 HB2 TYR A 15 5.139 -17.212 18.218 1.00 0.00 H new ATOM 0 HB3 TYR A 15 6.317 -17.131 16.923 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.378 -18.973 18.221 1.00 0.00 H new ATOM 0 HD2 TYR A 15 6.139 -18.566 14.956 1.00 0.00 H new ATOM 0 HE1 TYR A 15 1.915 -20.393 16.808 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.675 -19.983 13.541 1.00 0.00 H new ATOM 0 HH TYR A 15 1.518 -21.185 14.738 1.00 0.00 H new ATOM 229 N GLU A 16 7.099 -20.566 16.827 1.00 0.00 N ATOM 230 CA GLU A 16 7.943 -21.382 15.908 1.00 0.00 C ATOM 231 C GLU A 16 7.333 -21.402 14.505 1.00 0.00 C ATOM 232 O GLU A 16 6.149 -21.622 14.345 1.00 0.00 O ATOM 233 CB GLU A 16 7.944 -22.786 16.511 1.00 0.00 C ATOM 234 CG GLU A 16 9.362 -23.360 16.461 1.00 0.00 C ATOM 235 CD GLU A 16 10.272 -22.551 17.387 1.00 0.00 C ATOM 236 OE1 GLU A 16 10.372 -22.909 18.549 1.00 0.00 O ATOM 237 OE2 GLU A 16 10.854 -21.586 16.919 1.00 0.00 O ATOM 0 H GLU A 16 6.142 -20.898 16.947 1.00 0.00 H new ATOM 0 HA GLU A 16 8.951 -20.980 15.810 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.590 -22.751 17.541 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.259 -23.431 15.960 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.353 -24.407 16.766 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.743 -23.328 15.440 1.00 0.00 H new ATOM 244 N PRO A 17 8.169 -21.168 13.531 1.00 0.00 N ATOM 245 CA PRO A 17 7.666 -21.167 12.133 1.00 0.00 C ATOM 246 C PRO A 17 7.634 -22.594 11.579 1.00 0.00 C ATOM 247 O PRO A 17 8.548 -23.029 10.909 1.00 0.00 O ATOM 248 CB PRO A 17 8.677 -20.317 11.375 1.00 0.00 C ATOM 249 CG PRO A 17 9.936 -20.418 12.171 1.00 0.00 C ATOM 250 CD PRO A 17 9.532 -20.621 13.607 1.00 0.00 C ATOM 0 HA PRO A 17 6.651 -20.780 12.049 1.00 0.00 H new ATOM 0 HB2 PRO A 17 8.821 -20.686 10.359 1.00 0.00 H new ATOM 0 HB3 PRO A 17 8.342 -19.283 11.294 1.00 0.00 H new ATOM 0 HG2 PRO A 17 10.548 -21.249 11.821 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.535 -19.514 12.063 1.00 0.00 H new ATOM 0 HD2 PRO A 17 10.208 -21.308 14.116 1.00 0.00 H new ATOM 0 HD3 PRO A 17 9.553 -19.683 14.162 1.00 0.00 H new ATOM 258 N SER A 18 6.589 -23.325 11.852 1.00 0.00 N ATOM 259 CA SER A 18 6.503 -24.721 11.338 1.00 0.00 C ATOM 260 C SER A 18 6.069 -24.714 9.871 1.00 0.00 C ATOM 261 O SER A 18 5.991 -25.744 9.231 1.00 0.00 O ATOM 262 CB SER A 18 5.443 -25.399 12.208 1.00 0.00 C ATOM 263 OG SER A 18 4.167 -24.849 11.914 1.00 0.00 O ATOM 0 H SER A 18 5.792 -23.017 12.408 1.00 0.00 H new ATOM 0 HA SER A 18 7.460 -25.240 11.385 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.439 -26.473 12.024 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.678 -25.257 13.263 1.00 0.00 H new ATOM 0 HG SER A 18 4.089 -24.701 10.948 1.00 0.00 H new ATOM 269 N HIS A 19 5.788 -23.559 9.332 1.00 0.00 N ATOM 270 CA HIS A 19 5.361 -23.482 7.906 1.00 0.00 C ATOM 271 C HIS A 19 5.904 -22.202 7.264 1.00 0.00 C ATOM 272 O HIS A 19 6.357 -21.301 7.941 1.00 0.00 O ATOM 273 CB HIS A 19 3.833 -23.455 7.951 1.00 0.00 C ATOM 274 CG HIS A 19 3.325 -24.733 8.559 1.00 0.00 C ATOM 275 ND1 HIS A 19 2.737 -24.771 9.813 1.00 0.00 N ATOM 276 CD2 HIS A 19 3.310 -26.026 8.099 1.00 0.00 C ATOM 277 CE1 HIS A 19 2.396 -26.048 10.063 1.00 0.00 C ATOM 278 NE2 HIS A 19 2.722 -26.855 9.050 1.00 0.00 N ATOM 0 H HIS A 19 5.836 -22.664 9.819 1.00 0.00 H new ATOM 0 HA HIS A 19 5.735 -24.318 7.315 1.00 0.00 H new ATOM 0 HB2 HIS A 19 3.491 -22.601 8.536 1.00 0.00 H new ATOM 0 HB3 HIS A 19 3.431 -23.334 6.945 1.00 0.00 H new ATOM 0 HD2 HIS A 19 3.696 -26.351 7.144 1.00 0.00 H new ATOM 0 HE1 HIS A 19 1.917 -26.380 10.972 1.00 0.00 H new ATOM 0 HE2 HIS A 19 2.572 -27.862 8.987 1.00 0.00 H new ATOM 286 N ASP A 20 5.863 -22.116 5.964 1.00 0.00 N ATOM 287 CA ASP A 20 6.378 -20.893 5.282 1.00 0.00 C ATOM 288 C ASP A 20 5.365 -19.752 5.409 1.00 0.00 C ATOM 289 O ASP A 20 4.209 -19.894 5.064 1.00 0.00 O ATOM 290 CB ASP A 20 6.548 -21.298 3.818 1.00 0.00 C ATOM 291 CG ASP A 20 7.652 -22.352 3.705 1.00 0.00 C ATOM 292 OD1 ASP A 20 8.366 -22.539 4.675 1.00 0.00 O ATOM 293 OD2 ASP A 20 7.762 -22.954 2.649 1.00 0.00 O ATOM 0 H ASP A 20 5.496 -22.838 5.344 1.00 0.00 H new ATOM 0 HA ASP A 20 7.312 -20.539 5.718 1.00 0.00 H new ATOM 0 HB2 ASP A 20 5.611 -21.695 3.428 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.800 -20.426 3.215 1.00 0.00 H new ATOM 298 N GLY A 21 5.791 -18.620 5.901 1.00 0.00 N ATOM 299 CA GLY A 21 4.852 -17.472 6.046 1.00 0.00 C ATOM 300 C GLY A 21 4.516 -17.268 7.527 1.00 0.00 C ATOM 301 O GLY A 21 3.791 -16.361 7.887 1.00 0.00 O ATOM 0 H GLY A 21 6.747 -18.441 6.208 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.301 -16.567 5.637 1.00 0.00 H new ATOM 0 HA3 GLY A 21 3.941 -17.660 5.478 1.00 0.00 H new ATOM 305 N ASP A 22 5.036 -18.101 8.386 1.00 0.00 N ATOM 306 CA ASP A 22 4.742 -17.950 9.841 1.00 0.00 C ATOM 307 C ASP A 22 5.834 -17.118 10.519 1.00 0.00 C ATOM 308 O ASP A 22 6.943 -17.018 10.035 1.00 0.00 O ATOM 309 CB ASP A 22 4.733 -19.374 10.394 1.00 0.00 C ATOM 310 CG ASP A 22 3.609 -20.172 9.731 1.00 0.00 C ATOM 311 OD1 ASP A 22 3.020 -19.661 8.794 1.00 0.00 O ATOM 312 OD2 ASP A 22 3.356 -21.282 10.172 1.00 0.00 O ATOM 0 H ASP A 22 5.651 -18.878 8.145 1.00 0.00 H new ATOM 0 HA ASP A 22 3.797 -17.438 10.019 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.693 -19.854 10.207 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.591 -19.355 11.475 1.00 0.00 H new ATOM 317 N LEU A 23 5.527 -16.523 11.640 1.00 0.00 N ATOM 318 CA LEU A 23 6.547 -15.700 12.351 1.00 0.00 C ATOM 319 C LEU A 23 6.875 -16.330 13.707 1.00 0.00 C ATOM 320 O LEU A 23 6.014 -16.508 14.545 1.00 0.00 O ATOM 321 CB LEU A 23 5.892 -14.331 12.536 1.00 0.00 C ATOM 322 CG LEU A 23 6.937 -13.329 13.032 1.00 0.00 C ATOM 323 CD1 LEU A 23 8.108 -13.283 12.048 1.00 0.00 C ATOM 324 CD2 LEU A 23 6.304 -11.940 13.136 1.00 0.00 C ATOM 0 H LEU A 23 4.615 -16.571 12.094 1.00 0.00 H new ATOM 0 HA LEU A 23 7.484 -15.629 11.798 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.464 -13.990 11.593 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.072 -14.402 13.251 1.00 0.00 H new ATOM 0 HG LEU A 23 7.298 -13.638 14.013 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.852 -12.569 12.401 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.560 -14.272 11.974 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.747 -12.975 11.067 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.048 -11.226 13.489 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.942 -11.631 12.156 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.470 -11.972 13.837 1.00 0.00 H new ATOM 336 N GLY A 24 8.115 -16.672 13.928 1.00 0.00 N ATOM 337 CA GLY A 24 8.497 -17.293 15.229 1.00 0.00 C ATOM 338 C GLY A 24 9.139 -16.239 16.132 1.00 0.00 C ATOM 339 O GLY A 24 10.216 -16.434 16.660 1.00 0.00 O ATOM 0 H GLY A 24 8.880 -16.549 13.265 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.617 -17.715 15.714 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.193 -18.115 15.061 1.00 0.00 H new ATOM 343 N PHE A 25 8.491 -15.120 16.311 1.00 0.00 N ATOM 344 CA PHE A 25 9.066 -14.048 17.174 1.00 0.00 C ATOM 345 C PHE A 25 9.543 -14.618 18.512 1.00 0.00 C ATOM 346 O PHE A 25 9.316 -15.769 18.827 1.00 0.00 O ATOM 347 CB PHE A 25 7.917 -13.060 17.391 1.00 0.00 C ATOM 348 CG PHE A 25 6.705 -13.785 17.936 1.00 0.00 C ATOM 349 CD1 PHE A 25 5.761 -14.334 17.058 1.00 0.00 C ATOM 350 CD2 PHE A 25 6.521 -13.898 19.319 1.00 0.00 C ATOM 351 CE1 PHE A 25 4.637 -15.000 17.564 1.00 0.00 C ATOM 352 CE2 PHE A 25 5.394 -14.562 19.824 1.00 0.00 C ATOM 353 CZ PHE A 25 4.454 -15.114 18.946 1.00 0.00 C ATOM 0 H PHE A 25 7.585 -14.901 15.896 1.00 0.00 H new ATOM 0 HA PHE A 25 9.935 -13.578 16.713 1.00 0.00 H new ATOM 0 HB2 PHE A 25 8.225 -12.278 18.085 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.665 -12.570 16.450 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.900 -14.244 15.991 1.00 0.00 H new ATOM 0 HD2 PHE A 25 7.247 -13.474 19.997 1.00 0.00 H new ATOM 0 HE1 PHE A 25 3.911 -15.426 16.887 1.00 0.00 H new ATOM 0 HE2 PHE A 25 5.251 -14.648 20.891 1.00 0.00 H new ATOM 0 HZ PHE A 25 3.588 -15.628 19.336 1.00 0.00 H new ATOM 363 N GLU A 26 10.204 -13.812 19.300 1.00 0.00 N ATOM 364 CA GLU A 26 10.700 -14.294 20.621 1.00 0.00 C ATOM 365 C GLU A 26 9.770 -13.817 21.741 1.00 0.00 C ATOM 366 O GLU A 26 8.846 -13.059 21.515 1.00 0.00 O ATOM 367 CB GLU A 26 12.087 -13.670 20.774 1.00 0.00 C ATOM 368 CG GLU A 26 12.955 -14.057 19.576 1.00 0.00 C ATOM 369 CD GLU A 26 13.202 -15.567 19.591 1.00 0.00 C ATOM 370 OE1 GLU A 26 12.921 -16.183 20.606 1.00 0.00 O ATOM 371 OE2 GLU A 26 13.669 -16.081 18.588 1.00 0.00 O ATOM 0 H GLU A 26 10.422 -12.839 19.085 1.00 0.00 H new ATOM 0 HA GLU A 26 10.734 -15.382 20.678 1.00 0.00 H new ATOM 0 HB2 GLU A 26 12.004 -12.585 20.841 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.551 -14.012 21.699 1.00 0.00 H new ATOM 0 HG2 GLU A 26 12.462 -13.768 18.648 1.00 0.00 H new ATOM 0 HG3 GLU A 26 13.904 -13.522 19.613 1.00 0.00 H new ATOM 378 N LYS A 27 10.014 -14.242 22.951 1.00 0.00 N ATOM 379 CA LYS A 27 9.145 -13.806 24.080 1.00 0.00 C ATOM 380 C LYS A 27 9.399 -12.333 24.400 1.00 0.00 C ATOM 381 O LYS A 27 10.526 -11.900 24.533 1.00 0.00 O ATOM 382 CB LYS A 27 9.545 -14.691 25.259 1.00 0.00 C ATOM 383 CG LYS A 27 10.996 -14.404 25.647 1.00 0.00 C ATOM 384 CD LYS A 27 11.438 -15.394 26.728 1.00 0.00 C ATOM 385 CE LYS A 27 12.717 -14.885 27.395 1.00 0.00 C ATOM 386 NZ LYS A 27 13.826 -15.475 26.593 1.00 0.00 N ATOM 0 H LYS A 27 10.776 -14.871 23.206 1.00 0.00 H new ATOM 0 HA LYS A 27 8.085 -13.902 23.846 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.887 -14.503 26.107 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.430 -15.742 24.993 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.642 -14.490 24.773 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.091 -13.382 26.014 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.650 -15.512 27.472 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.611 -16.376 26.288 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.760 -13.796 27.388 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.772 -15.200 28.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.739 -15.172 26.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 13.762 -16.513 26.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 13.751 -15.152 25.607 1.00 0.00 H new ATOM 400 N GLY A 28 8.358 -11.560 24.524 1.00 0.00 N ATOM 401 CA GLY A 28 8.531 -10.116 24.834 1.00 0.00 C ATOM 402 C GLY A 28 8.680 -9.333 23.530 1.00 0.00 C ATOM 403 O GLY A 28 8.657 -8.119 23.521 1.00 0.00 O ATOM 0 H GLY A 28 7.391 -11.868 24.423 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.673 -9.748 25.396 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.410 -9.970 25.462 1.00 0.00 H new ATOM 407 N GLU A 29 8.840 -10.015 22.428 1.00 0.00 N ATOM 408 CA GLU A 29 8.996 -9.298 21.131 1.00 0.00 C ATOM 409 C GLU A 29 7.717 -8.529 20.794 1.00 0.00 C ATOM 410 O GLU A 29 6.624 -9.054 20.879 1.00 0.00 O ATOM 411 CB GLU A 29 9.252 -10.393 20.096 1.00 0.00 C ATOM 412 CG GLU A 29 9.738 -9.755 18.793 1.00 0.00 C ATOM 413 CD GLU A 29 10.034 -10.851 17.766 1.00 0.00 C ATOM 414 OE1 GLU A 29 10.903 -11.666 18.032 1.00 0.00 O ATOM 415 OE2 GLU A 29 9.386 -10.858 16.733 1.00 0.00 O ATOM 0 H GLU A 29 8.869 -11.033 22.370 1.00 0.00 H new ATOM 0 HA GLU A 29 9.806 -8.570 21.159 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.997 -11.096 20.470 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.339 -10.961 19.918 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.981 -9.073 18.405 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.635 -9.163 18.978 1.00 0.00 H new ATOM 422 N GLN A 30 7.845 -7.290 20.406 1.00 0.00 N ATOM 423 CA GLN A 30 6.636 -6.491 20.059 1.00 0.00 C ATOM 424 C GLN A 30 6.167 -6.848 18.647 1.00 0.00 C ATOM 425 O GLN A 30 6.947 -6.889 17.718 1.00 0.00 O ATOM 426 CB GLN A 30 7.091 -5.032 20.122 1.00 0.00 C ATOM 427 CG GLN A 30 7.334 -4.634 21.579 1.00 0.00 C ATOM 428 CD GLN A 30 7.756 -3.165 21.643 1.00 0.00 C ATOM 429 OE1 GLN A 30 8.301 -2.636 20.695 1.00 0.00 O ATOM 430 NE2 GLN A 30 7.526 -2.479 22.729 1.00 0.00 N ATOM 0 H GLN A 30 8.733 -6.797 20.314 1.00 0.00 H new ATOM 0 HA GLN A 30 5.802 -6.683 20.734 1.00 0.00 H new ATOM 0 HB2 GLN A 30 8.004 -4.900 19.541 1.00 0.00 H new ATOM 0 HB3 GLN A 30 6.334 -4.385 19.679 1.00 0.00 H new ATOM 0 HG2 GLN A 30 6.428 -4.789 22.165 1.00 0.00 H new ATOM 0 HG3 GLN A 30 8.108 -5.265 22.015 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.068 -2.923 23.525 1.00 0.00 H new ATOM 0 HE22 GLN A 30 7.804 -1.499 22.782 1.00 0.00 H new ATOM 439 N LEU A 31 4.901 -7.112 18.479 1.00 0.00 N ATOM 440 CA LEU A 31 4.395 -7.474 17.125 1.00 0.00 C ATOM 441 C LEU A 31 3.171 -6.629 16.765 1.00 0.00 C ATOM 442 O LEU A 31 2.393 -6.245 17.616 1.00 0.00 O ATOM 443 CB LEU A 31 4.013 -8.951 17.227 1.00 0.00 C ATOM 444 CG LEU A 31 5.242 -9.816 16.947 1.00 0.00 C ATOM 445 CD1 LEU A 31 6.226 -9.697 18.113 1.00 0.00 C ATOM 446 CD2 LEU A 31 4.812 -11.276 16.789 1.00 0.00 C ATOM 0 H LEU A 31 4.197 -7.093 19.217 1.00 0.00 H new ATOM 0 HA LEU A 31 5.139 -7.295 16.349 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.621 -9.168 18.220 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.222 -9.183 16.514 1.00 0.00 H new ATOM 0 HG LEU A 31 5.724 -9.478 16.030 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.102 -10.314 17.914 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.532 -8.657 18.226 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.745 -10.036 19.031 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.688 -11.894 16.589 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.331 -11.615 17.706 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.111 -11.361 15.959 1.00 0.00 H new ATOM 458 N ARG A 32 2.995 -6.345 15.504 1.00 0.00 N ATOM 459 CA ARG A 32 1.822 -5.534 15.074 1.00 0.00 C ATOM 460 C ARG A 32 0.764 -6.452 14.455 1.00 0.00 C ATOM 461 O ARG A 32 1.071 -7.312 13.655 1.00 0.00 O ATOM 462 CB ARG A 32 2.380 -4.560 14.031 1.00 0.00 C ATOM 463 CG ARG A 32 1.246 -4.043 13.143 1.00 0.00 C ATOM 464 CD ARG A 32 1.752 -2.872 12.298 1.00 0.00 C ATOM 465 NE ARG A 32 0.529 -2.294 11.674 1.00 0.00 N ATOM 466 CZ ARG A 32 0.610 -1.679 10.527 1.00 0.00 C ATOM 467 NH1 ARG A 32 1.272 -2.221 9.541 1.00 0.00 N ATOM 468 NH2 ARG A 32 0.029 -0.523 10.364 1.00 0.00 N ATOM 0 H ARG A 32 3.616 -6.641 14.751 1.00 0.00 H new ATOM 0 HA ARG A 32 1.344 -5.007 15.900 1.00 0.00 H new ATOM 0 HB2 ARG A 32 2.874 -3.725 14.528 1.00 0.00 H new ATOM 0 HB3 ARG A 32 3.133 -5.059 13.421 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.883 -4.842 12.496 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.405 -3.724 13.758 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.268 -2.135 12.913 1.00 0.00 H new ATOM 0 HD3 ARG A 32 2.461 -3.208 11.541 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.372 -2.379 12.144 1.00 0.00 H new ATOM 0 HH11 ARG A 32 1.726 -3.126 9.668 1.00 0.00 H new ATOM 0 HH12 ARG A 32 1.335 -1.740 8.644 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.489 -0.100 11.134 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.093 -0.042 9.467 1.00 0.00 H new ATOM 482 N ILE A 33 -0.477 -6.278 14.815 1.00 0.00 N ATOM 483 CA ILE A 33 -1.544 -7.148 14.241 1.00 0.00 C ATOM 484 C ILE A 33 -1.996 -6.604 12.884 1.00 0.00 C ATOM 485 O ILE A 33 -2.274 -5.430 12.736 1.00 0.00 O ATOM 486 CB ILE A 33 -2.687 -7.095 15.254 1.00 0.00 C ATOM 487 CG1 ILE A 33 -2.180 -7.560 16.621 1.00 0.00 C ATOM 488 CG2 ILE A 33 -3.820 -8.013 14.792 1.00 0.00 C ATOM 489 CD1 ILE A 33 -1.936 -9.070 16.589 1.00 0.00 C ATOM 0 H ILE A 33 -0.799 -5.574 15.479 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.200 -8.169 14.072 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.056 -6.072 15.332 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.258 -7.037 16.876 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.909 -7.315 17.393 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -4.636 -7.976 15.514 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.182 -7.683 13.818 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.451 -9.036 14.714 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.575 -9.401 17.563 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.868 -9.584 16.354 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.191 -9.302 15.828 1.00 0.00 H new ATOM 501 N LEU A 34 -2.071 -7.449 11.893 1.00 0.00 N ATOM 502 CA LEU A 34 -2.505 -6.982 10.545 1.00 0.00 C ATOM 503 C LEU A 34 -3.828 -7.646 10.157 1.00 0.00 C ATOM 504 O LEU A 34 -4.650 -7.064 9.478 1.00 0.00 O ATOM 505 CB LEU A 34 -1.388 -7.418 9.597 1.00 0.00 C ATOM 506 CG LEU A 34 -0.158 -6.534 9.816 1.00 0.00 C ATOM 507 CD1 LEU A 34 1.080 -7.232 9.248 1.00 0.00 C ATOM 508 CD2 LEU A 34 -0.359 -5.194 9.105 1.00 0.00 C ATOM 0 H LEU A 34 -1.851 -8.443 11.958 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.669 -5.905 10.513 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.134 -8.463 9.774 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.724 -7.342 8.563 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.020 -6.362 10.883 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.956 -6.603 9.404 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.224 -8.186 9.754 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.943 -7.405 8.181 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.517 -4.564 9.261 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.497 -5.366 8.037 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.240 -4.696 9.509 1.00 0.00 H new ATOM 520 N GLU A 35 -4.040 -8.861 10.584 1.00 0.00 N ATOM 521 CA GLU A 35 -5.311 -9.560 10.238 1.00 0.00 C ATOM 522 C GLU A 35 -5.925 -10.193 11.491 1.00 0.00 C ATOM 523 O GLU A 35 -5.234 -10.514 12.437 1.00 0.00 O ATOM 524 CB GLU A 35 -4.910 -10.639 9.233 1.00 0.00 C ATOM 525 CG GLU A 35 -4.338 -9.979 7.977 1.00 0.00 C ATOM 526 CD GLU A 35 -4.184 -11.028 6.873 1.00 0.00 C ATOM 527 OE1 GLU A 35 -4.318 -12.201 7.177 1.00 0.00 O ATOM 528 OE2 GLU A 35 -3.936 -10.638 5.744 1.00 0.00 O ATOM 0 H GLU A 35 -3.390 -9.399 11.156 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.058 -8.880 9.828 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.170 -11.306 9.675 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.775 -11.249 8.974 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.997 -9.178 7.642 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.372 -9.526 8.200 1.00 0.00 H new ATOM 535 N GLN A 36 -7.217 -10.375 11.502 1.00 0.00 N ATOM 536 CA GLN A 36 -7.873 -10.988 12.692 1.00 0.00 C ATOM 537 C GLN A 36 -8.969 -11.961 12.249 1.00 0.00 C ATOM 538 O GLN A 36 -10.113 -11.843 12.640 1.00 0.00 O ATOM 539 CB GLN A 36 -8.479 -9.813 13.461 1.00 0.00 C ATOM 540 CG GLN A 36 -7.359 -8.910 13.980 1.00 0.00 C ATOM 541 CD GLN A 36 -7.967 -7.697 14.686 1.00 0.00 C ATOM 542 OE1 GLN A 36 -9.078 -7.302 14.393 1.00 0.00 O ATOM 543 NE2 GLN A 36 -7.282 -7.086 15.613 1.00 0.00 N ATOM 0 H GLN A 36 -7.847 -10.126 10.739 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.171 -11.556 13.303 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -9.147 -9.246 12.812 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -9.079 -10.180 14.293 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -6.721 -9.463 14.669 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.728 -8.584 13.153 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -6.349 -7.417 15.860 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.679 -6.277 16.091 1.00 0.00 H new ATOM 552 N SER A 37 -8.627 -12.921 11.434 1.00 0.00 N ATOM 553 CA SER A 37 -9.649 -13.901 10.967 1.00 0.00 C ATOM 554 C SER A 37 -9.191 -15.330 11.269 1.00 0.00 C ATOM 555 O SER A 37 -8.105 -15.734 10.904 1.00 0.00 O ATOM 556 CB SER A 37 -9.750 -13.677 9.457 1.00 0.00 C ATOM 557 OG SER A 37 -8.512 -14.010 8.846 1.00 0.00 O ATOM 0 H SER A 37 -7.685 -13.069 11.071 1.00 0.00 H new ATOM 0 HA SER A 37 -10.609 -13.765 11.465 1.00 0.00 H new ATOM 0 HB2 SER A 37 -10.550 -14.289 9.040 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.003 -12.637 9.249 1.00 0.00 H new ATOM 0 HG SER A 37 -7.987 -14.570 9.455 1.00 0.00 H new ATOM 563 N GLY A 38 -10.011 -16.097 11.932 1.00 0.00 N ATOM 564 CA GLY A 38 -9.622 -17.499 12.257 1.00 0.00 C ATOM 565 C GLY A 38 -8.833 -17.519 13.566 1.00 0.00 C ATOM 566 O GLY A 38 -8.525 -16.489 14.133 1.00 0.00 O ATOM 0 H GLY A 38 -10.933 -15.814 12.263 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.511 -18.123 12.347 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.019 -17.917 11.450 1.00 0.00 H new ATOM 570 N GLU A 39 -8.502 -18.684 14.054 1.00 0.00 N ATOM 571 CA GLU A 39 -7.732 -18.768 15.328 1.00 0.00 C ATOM 572 C GLU A 39 -6.357 -18.120 15.158 1.00 0.00 C ATOM 573 O GLU A 39 -5.780 -17.607 16.097 1.00 0.00 O ATOM 574 CB GLU A 39 -7.589 -20.264 15.607 1.00 0.00 C ATOM 575 CG GLU A 39 -8.978 -20.899 15.703 1.00 0.00 C ATOM 576 CD GLU A 39 -8.835 -22.405 15.933 1.00 0.00 C ATOM 577 OE1 GLU A 39 -7.731 -22.903 15.794 1.00 0.00 O ATOM 578 OE2 GLU A 39 -9.833 -23.034 16.246 1.00 0.00 O ATOM 0 H GLU A 39 -8.731 -19.581 13.626 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.229 -18.247 16.146 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.014 -20.740 14.813 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.040 -20.421 16.536 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.541 -20.447 16.520 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.539 -20.712 14.788 1.00 0.00 H new ATOM 585 N TRP A 40 -5.825 -18.138 13.966 1.00 0.00 N ATOM 586 CA TRP A 40 -4.486 -17.522 13.736 1.00 0.00 C ATOM 587 C TRP A 40 -4.644 -16.106 13.175 1.00 0.00 C ATOM 588 O TRP A 40 -5.550 -15.827 12.417 1.00 0.00 O ATOM 589 CB TRP A 40 -3.805 -18.427 12.710 1.00 0.00 C ATOM 590 CG TRP A 40 -3.511 -19.756 13.329 1.00 0.00 C ATOM 591 CD1 TRP A 40 -4.310 -20.844 13.250 1.00 0.00 C ATOM 592 CD2 TRP A 40 -2.352 -20.154 14.115 1.00 0.00 C ATOM 593 NE1 TRP A 40 -3.715 -21.886 13.938 1.00 0.00 N ATOM 594 CE2 TRP A 40 -2.506 -21.511 14.489 1.00 0.00 C ATOM 595 CE3 TRP A 40 -1.193 -19.478 14.536 1.00 0.00 C ATOM 596 CZ2 TRP A 40 -1.544 -22.172 15.254 1.00 0.00 C ATOM 597 CZ3 TRP A 40 -0.223 -20.141 15.306 1.00 0.00 C ATOM 598 CH2 TRP A 40 -0.399 -21.485 15.665 1.00 0.00 C ATOM 0 H TRP A 40 -6.259 -18.552 13.141 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.908 -17.438 14.656 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.448 -18.555 11.839 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -2.882 -17.966 12.360 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -5.258 -20.892 12.734 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -4.120 -22.818 14.027 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.048 -18.443 14.266 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -1.684 -23.208 15.526 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 0.664 -19.612 15.623 1.00 0.00 H new ATOM 0 HH2 TRP A 40 0.350 -21.989 16.259 1.00 0.00 H new ATOM 609 N TRP A 41 -3.766 -15.212 13.540 1.00 0.00 N ATOM 610 CA TRP A 41 -3.865 -13.816 13.025 1.00 0.00 C ATOM 611 C TRP A 41 -2.552 -13.410 12.349 1.00 0.00 C ATOM 612 O TRP A 41 -1.505 -13.958 12.629 1.00 0.00 O ATOM 613 CB TRP A 41 -4.114 -12.953 14.262 1.00 0.00 C ATOM 614 CG TRP A 41 -5.527 -13.125 14.718 1.00 0.00 C ATOM 615 CD1 TRP A 41 -6.528 -13.647 13.971 1.00 0.00 C ATOM 616 CD2 TRP A 41 -6.113 -12.786 16.008 1.00 0.00 C ATOM 617 NE1 TRP A 41 -7.691 -13.649 14.721 1.00 0.00 N ATOM 618 CE2 TRP A 41 -7.486 -13.129 15.983 1.00 0.00 C ATOM 619 CE3 TRP A 41 -5.592 -12.220 17.186 1.00 0.00 C ATOM 620 CZ2 TRP A 41 -8.313 -12.917 17.087 1.00 0.00 C ATOM 621 CZ3 TRP A 41 -6.421 -12.006 18.299 1.00 0.00 C ATOM 622 CH2 TRP A 41 -7.778 -12.354 18.250 1.00 0.00 C ATOM 0 H TRP A 41 -2.985 -15.387 14.172 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.656 -13.705 12.283 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -3.427 -13.236 15.059 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.921 -11.905 14.032 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -6.434 -14.004 12.956 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -8.590 -13.993 14.383 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -4.548 -11.948 17.235 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -9.358 -13.186 17.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -6.011 -11.571 19.198 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -8.410 -12.187 19.110 1.00 0.00 H new ATOM 633 N LYS A 42 -2.599 -12.449 11.469 1.00 0.00 N ATOM 634 CA LYS A 42 -1.351 -12.006 10.785 1.00 0.00 C ATOM 635 C LYS A 42 -0.774 -10.785 11.505 1.00 0.00 C ATOM 636 O LYS A 42 -1.502 -9.955 12.015 1.00 0.00 O ATOM 637 CB LYS A 42 -1.781 -11.638 9.364 1.00 0.00 C ATOM 638 CG LYS A 42 -0.540 -11.379 8.508 1.00 0.00 C ATOM 639 CD LYS A 42 -0.968 -10.876 7.128 1.00 0.00 C ATOM 640 CE LYS A 42 0.275 -10.601 6.279 1.00 0.00 C ATOM 641 NZ LYS A 42 -0.069 -9.392 5.479 1.00 0.00 N ATOM 0 H LYS A 42 -3.446 -11.952 11.194 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.580 -12.777 10.785 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.373 -12.444 8.931 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.415 -10.752 9.382 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.102 -10.643 8.992 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.044 -12.294 8.408 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.600 -11.617 6.638 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.562 -9.967 7.228 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.150 -10.425 6.905 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.509 -11.448 5.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -0.068 -9.633 4.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.013 -9.052 5.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.633 -8.646 5.658 1.00 0.00 H new ATOM 655 N ALA A 43 0.524 -10.667 11.556 1.00 0.00 N ATOM 656 CA ALA A 43 1.131 -9.496 12.251 1.00 0.00 C ATOM 657 C ALA A 43 2.559 -9.256 11.753 1.00 0.00 C ATOM 658 O ALA A 43 3.045 -9.942 10.876 1.00 0.00 O ATOM 659 CB ALA A 43 1.141 -9.879 13.732 1.00 0.00 C ATOM 0 H ALA A 43 1.188 -11.326 11.149 1.00 0.00 H new ATOM 0 HA ALA A 43 0.575 -8.577 12.066 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.575 -9.066 14.315 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.120 -10.062 14.067 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.736 -10.782 13.870 1.00 0.00 H new ATOM 665 N GLN A 44 3.232 -8.286 12.310 1.00 0.00 N ATOM 666 CA GLN A 44 4.629 -7.998 11.874 1.00 0.00 C ATOM 667 C GLN A 44 5.464 -7.529 13.069 1.00 0.00 C ATOM 668 O GLN A 44 4.947 -6.991 14.027 1.00 0.00 O ATOM 669 CB GLN A 44 4.498 -6.883 10.837 1.00 0.00 C ATOM 670 CG GLN A 44 5.891 -6.440 10.386 1.00 0.00 C ATOM 671 CD GLN A 44 5.764 -5.239 9.446 1.00 0.00 C ATOM 672 OE1 GLN A 44 4.675 -4.874 9.051 1.00 0.00 O ATOM 673 NE2 GLN A 44 6.840 -4.604 9.070 1.00 0.00 N ATOM 0 H GLN A 44 2.875 -7.680 13.049 1.00 0.00 H new ATOM 0 HA GLN A 44 5.126 -8.877 11.463 1.00 0.00 H new ATOM 0 HB2 GLN A 44 3.921 -7.234 9.981 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.956 -6.038 11.262 1.00 0.00 H new ATOM 0 HG2 GLN A 44 6.498 -6.175 11.252 1.00 0.00 H new ATOM 0 HG3 GLN A 44 6.399 -7.260 9.879 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.755 -4.910 9.401 1.00 0.00 H new ATOM 0 HE22 GLN A 44 6.766 -3.802 8.445 1.00 0.00 H new ATOM 682 N SER A 45 6.753 -7.729 13.022 1.00 0.00 N ATOM 683 CA SER A 45 7.617 -7.294 14.157 1.00 0.00 C ATOM 684 C SER A 45 8.276 -5.950 13.834 1.00 0.00 C ATOM 685 O SER A 45 8.920 -5.794 12.816 1.00 0.00 O ATOM 686 CB SER A 45 8.672 -8.391 14.294 1.00 0.00 C ATOM 687 OG SER A 45 9.412 -8.191 15.490 1.00 0.00 O ATOM 0 H SER A 45 7.245 -8.174 12.248 1.00 0.00 H new ATOM 0 HA SER A 45 7.052 -7.156 15.079 1.00 0.00 H new ATOM 0 HB2 SER A 45 8.194 -9.370 14.309 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.341 -8.376 13.433 1.00 0.00 H new ATOM 0 HG SER A 45 9.476 -9.037 15.981 1.00 0.00 H new ATOM 693 N LEU A 46 8.121 -4.979 14.693 1.00 0.00 N ATOM 694 CA LEU A 46 8.739 -3.647 14.432 1.00 0.00 C ATOM 695 C LEU A 46 10.221 -3.664 14.817 1.00 0.00 C ATOM 696 O LEU A 46 10.875 -2.640 14.842 1.00 0.00 O ATOM 697 CB LEU A 46 7.967 -2.672 15.321 1.00 0.00 C ATOM 698 CG LEU A 46 6.492 -2.668 14.914 1.00 0.00 C ATOM 699 CD1 LEU A 46 5.692 -1.824 15.909 1.00 0.00 C ATOM 700 CD2 LEU A 46 6.352 -2.072 13.512 1.00 0.00 C ATOM 0 H LEU A 46 7.594 -5.050 15.563 1.00 0.00 H new ATOM 0 HA LEU A 46 8.688 -3.369 13.379 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.066 -2.961 16.367 1.00 0.00 H new ATOM 0 HB3 LEU A 46 8.384 -1.669 15.227 1.00 0.00 H new ATOM 0 HG LEU A 46 6.111 -3.689 14.914 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.641 -1.820 15.620 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.792 -2.247 16.908 1.00 0.00 H new ATOM 0 HD13 LEU A 46 6.072 -0.802 15.908 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.302 -2.069 13.221 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.732 -1.050 13.511 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.923 -2.672 12.803 1.00 0.00 H new ATOM 712 N THR A 47 10.757 -4.815 15.116 1.00 0.00 N ATOM 713 CA THR A 47 12.197 -4.889 15.497 1.00 0.00 C ATOM 714 C THR A 47 13.056 -5.177 14.263 1.00 0.00 C ATOM 715 O THR A 47 14.160 -4.689 14.135 1.00 0.00 O ATOM 716 CB THR A 47 12.285 -6.045 16.495 1.00 0.00 C ATOM 717 OG1 THR A 47 11.603 -5.689 17.690 1.00 0.00 O ATOM 718 CG2 THR A 47 13.751 -6.339 16.810 1.00 0.00 C ATOM 0 H THR A 47 10.262 -5.707 15.113 1.00 0.00 H new ATOM 0 HA THR A 47 12.560 -3.954 15.925 1.00 0.00 H new ATOM 0 HB THR A 47 11.824 -6.934 16.064 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.657 -6.429 18.330 1.00 0.00 H new ATOM 0 HG21 THR A 47 13.812 -7.163 17.521 1.00 0.00 H new ATOM 0 HG22 THR A 47 14.273 -6.612 15.893 1.00 0.00 H new ATOM 0 HG23 THR A 47 14.215 -5.452 17.241 1.00 0.00 H new ATOM 726 N THR A 48 12.556 -5.968 13.352 1.00 0.00 N ATOM 727 CA THR A 48 13.346 -6.285 12.127 1.00 0.00 C ATOM 728 C THR A 48 12.477 -6.127 10.876 1.00 0.00 C ATOM 729 O THR A 48 12.929 -6.325 9.766 1.00 0.00 O ATOM 730 CB THR A 48 13.775 -7.743 12.299 1.00 0.00 C ATOM 731 OG1 THR A 48 12.627 -8.580 12.268 1.00 0.00 O ATOM 732 CG2 THR A 48 14.494 -7.911 13.639 1.00 0.00 C ATOM 0 H THR A 48 11.637 -6.408 13.403 1.00 0.00 H new ATOM 0 HA THR A 48 14.200 -5.618 12.005 1.00 0.00 H new ATOM 0 HB THR A 48 14.450 -8.021 11.489 1.00 0.00 H new ATOM 0 HG1 THR A 48 12.901 -9.515 12.376 1.00 0.00 H new ATOM 0 HG21 THR A 48 14.799 -8.950 13.760 1.00 0.00 H new ATOM 0 HG22 THR A 48 15.375 -7.269 13.662 1.00 0.00 H new ATOM 0 HG23 THR A 48 13.821 -7.633 14.450 1.00 0.00 H new ATOM 740 N GLY A 49 11.231 -5.777 11.046 1.00 0.00 N ATOM 741 CA GLY A 49 10.338 -5.613 9.864 1.00 0.00 C ATOM 742 C GLY A 49 9.926 -6.992 9.346 1.00 0.00 C ATOM 743 O GLY A 49 9.700 -7.181 8.167 1.00 0.00 O ATOM 0 H GLY A 49 10.794 -5.598 11.950 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.455 -5.036 10.138 1.00 0.00 H new ATOM 0 HA3 GLY A 49 10.852 -5.056 9.080 1.00 0.00 H new ATOM 747 N GLN A 50 9.828 -7.957 10.218 1.00 0.00 N ATOM 748 CA GLN A 50 9.432 -9.325 9.777 1.00 0.00 C ATOM 749 C GLN A 50 7.913 -9.487 9.863 1.00 0.00 C ATOM 750 O GLN A 50 7.299 -9.161 10.859 1.00 0.00 O ATOM 751 CB GLN A 50 10.128 -10.274 10.752 1.00 0.00 C ATOM 752 CG GLN A 50 10.041 -11.706 10.219 1.00 0.00 C ATOM 753 CD GLN A 50 10.832 -12.640 11.137 1.00 0.00 C ATOM 754 OE1 GLN A 50 11.592 -12.191 11.972 1.00 0.00 O ATOM 755 NE2 GLN A 50 10.684 -13.931 11.018 1.00 0.00 N ATOM 0 H GLN A 50 10.005 -7.858 11.218 1.00 0.00 H new ATOM 0 HA GLN A 50 9.716 -9.524 8.744 1.00 0.00 H new ATOM 0 HB2 GLN A 50 11.171 -9.984 10.877 1.00 0.00 H new ATOM 0 HB3 GLN A 50 9.660 -10.211 11.734 1.00 0.00 H new ATOM 0 HG2 GLN A 50 9.000 -12.024 10.169 1.00 0.00 H new ATOM 0 HG3 GLN A 50 10.438 -11.753 9.205 1.00 0.00 H new ATOM 0 HE21 GLN A 50 10.046 -14.309 10.317 1.00 0.00 H new ATOM 0 HE22 GLN A 50 11.206 -14.562 11.626 1.00 0.00 H new ATOM 764 N GLU A 51 7.303 -9.991 8.826 1.00 0.00 N ATOM 765 CA GLU A 51 5.824 -10.176 8.850 1.00 0.00 C ATOM 766 C GLU A 51 5.478 -11.663 8.729 1.00 0.00 C ATOM 767 O GLU A 51 6.048 -12.380 7.931 1.00 0.00 O ATOM 768 CB GLU A 51 5.307 -9.403 7.636 1.00 0.00 C ATOM 769 CG GLU A 51 3.780 -9.332 7.691 1.00 0.00 C ATOM 770 CD GLU A 51 3.262 -8.565 6.472 1.00 0.00 C ATOM 771 OE1 GLU A 51 4.080 -8.120 5.685 1.00 0.00 O ATOM 772 OE2 GLU A 51 2.055 -8.437 6.347 1.00 0.00 O ATOM 0 H GLU A 51 7.764 -10.283 7.964 1.00 0.00 H new ATOM 0 HA GLU A 51 5.377 -9.820 9.778 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.729 -8.398 7.625 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.626 -9.893 6.716 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.359 -10.337 7.708 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.461 -8.837 8.608 1.00 0.00 H new ATOM 779 N GLY A 52 4.550 -12.130 9.517 1.00 0.00 N ATOM 780 CA GLY A 52 4.170 -13.569 9.448 1.00 0.00 C ATOM 781 C GLY A 52 2.937 -13.814 10.317 1.00 0.00 C ATOM 782 O GLY A 52 2.559 -12.986 11.123 1.00 0.00 O ATOM 0 H GLY A 52 4.038 -11.578 10.205 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.963 -13.852 8.416 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.998 -14.191 9.789 1.00 0.00 H new ATOM 786 N PHE A 53 2.306 -14.944 10.161 1.00 0.00 N ATOM 787 CA PHE A 53 1.097 -15.242 10.980 1.00 0.00 C ATOM 788 C PHE A 53 1.496 -15.489 12.437 1.00 0.00 C ATOM 789 O PHE A 53 2.553 -16.018 12.720 1.00 0.00 O ATOM 790 CB PHE A 53 0.503 -16.510 10.365 1.00 0.00 C ATOM 791 CG PHE A 53 0.015 -16.210 8.968 1.00 0.00 C ATOM 792 CD1 PHE A 53 -1.202 -15.544 8.781 1.00 0.00 C ATOM 793 CD2 PHE A 53 0.779 -16.600 7.861 1.00 0.00 C ATOM 794 CE1 PHE A 53 -1.655 -15.266 7.486 1.00 0.00 C ATOM 795 CE2 PHE A 53 0.324 -16.321 6.566 1.00 0.00 C ATOM 796 CZ PHE A 53 -0.893 -15.655 6.379 1.00 0.00 C ATOM 0 H PHE A 53 2.575 -15.675 9.502 1.00 0.00 H new ATOM 0 HA PHE A 53 0.384 -14.417 10.980 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.253 -17.300 10.338 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.321 -16.874 10.979 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.791 -15.245 9.635 1.00 0.00 H new ATOM 0 HD2 PHE A 53 1.717 -17.115 8.006 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.593 -14.751 7.341 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.912 -16.620 5.711 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.244 -15.441 5.380 1.00 0.00 H new ATOM 806 N ILE A 54 0.660 -15.111 13.363 1.00 0.00 N ATOM 807 CA ILE A 54 0.992 -15.325 14.800 1.00 0.00 C ATOM 808 C ILE A 54 -0.249 -15.787 15.564 1.00 0.00 C ATOM 809 O ILE A 54 -1.307 -15.203 15.444 1.00 0.00 O ATOM 810 CB ILE A 54 1.459 -13.961 15.306 1.00 0.00 C ATOM 811 CG1 ILE A 54 0.279 -12.987 15.315 1.00 0.00 C ATOM 812 CG2 ILE A 54 2.557 -13.424 14.387 1.00 0.00 C ATOM 813 CD1 ILE A 54 -0.363 -12.977 16.705 1.00 0.00 C ATOM 0 H ILE A 54 -0.239 -14.663 13.187 1.00 0.00 H new ATOM 0 HA ILE A 54 1.754 -16.092 14.939 1.00 0.00 H new ATOM 0 HB ILE A 54 1.851 -14.065 16.318 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.618 -11.985 15.052 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.455 -13.282 14.565 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.890 -12.451 14.748 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.399 -14.117 14.382 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.166 -13.321 13.375 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.204 -12.283 16.712 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.717 -13.979 16.950 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.374 -12.662 17.444 1.00 0.00 H new ATOM 825 N PRO A 55 -0.074 -16.829 16.330 1.00 0.00 N ATOM 826 CA PRO A 55 -1.223 -17.348 17.113 1.00 0.00 C ATOM 827 C PRO A 55 -1.809 -16.237 17.986 1.00 0.00 C ATOM 828 O PRO A 55 -1.157 -15.256 18.281 1.00 0.00 O ATOM 829 CB PRO A 55 -0.622 -18.457 17.968 1.00 0.00 C ATOM 830 CG PRO A 55 0.823 -18.105 18.094 1.00 0.00 C ATOM 831 CD PRO A 55 1.203 -17.334 16.857 1.00 0.00 C ATOM 0 HA PRO A 55 -2.038 -17.709 16.486 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.103 -18.507 18.945 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -0.752 -19.432 17.498 1.00 0.00 H new ATOM 0 HG2 PRO A 55 0.997 -17.507 18.989 1.00 0.00 H new ATOM 0 HG3 PRO A 55 1.431 -19.005 18.189 1.00 0.00 H new ATOM 0 HD2 PRO A 55 1.886 -16.518 17.092 1.00 0.00 H new ATOM 0 HD3 PRO A 55 1.707 -17.972 16.131 1.00 0.00 H new ATOM 839 N PHE A 56 -3.039 -16.378 18.395 1.00 0.00 N ATOM 840 CA PHE A 56 -3.667 -15.323 19.240 1.00 0.00 C ATOM 841 C PHE A 56 -3.373 -15.569 20.725 1.00 0.00 C ATOM 842 O PHE A 56 -3.799 -14.819 21.580 1.00 0.00 O ATOM 843 CB PHE A 56 -5.170 -15.429 18.957 1.00 0.00 C ATOM 844 CG PHE A 56 -5.760 -16.592 19.722 1.00 0.00 C ATOM 845 CD1 PHE A 56 -5.674 -17.889 19.203 1.00 0.00 C ATOM 846 CD2 PHE A 56 -6.393 -16.371 20.951 1.00 0.00 C ATOM 847 CE1 PHE A 56 -6.222 -18.964 19.913 1.00 0.00 C ATOM 848 CE2 PHE A 56 -6.940 -17.446 21.661 1.00 0.00 C ATOM 849 CZ PHE A 56 -6.855 -18.743 21.141 1.00 0.00 C ATOM 0 H PHE A 56 -3.636 -17.177 18.181 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.278 -14.331 19.011 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -5.669 -14.503 19.245 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.339 -15.563 17.888 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.185 -18.060 18.255 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -6.459 -15.370 21.352 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -6.156 -19.965 19.512 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -7.427 -17.275 22.609 1.00 0.00 H new ATOM 0 HZ PHE A 56 -7.278 -19.573 21.688 1.00 0.00 H new ATOM 859 N ASN A 57 -2.659 -16.615 21.044 1.00 0.00 N ATOM 860 CA ASN A 57 -2.358 -16.898 22.479 1.00 0.00 C ATOM 861 C ASN A 57 -0.947 -16.422 22.845 1.00 0.00 C ATOM 862 O ASN A 57 -0.666 -16.119 23.988 1.00 0.00 O ATOM 863 CB ASN A 57 -2.458 -18.418 22.609 1.00 0.00 C ATOM 864 CG ASN A 57 -3.921 -18.847 22.480 1.00 0.00 C ATOM 865 OD1 ASN A 57 -4.812 -18.151 22.926 1.00 0.00 O ATOM 866 ND2 ASN A 57 -4.208 -19.972 21.883 1.00 0.00 N ATOM 0 H ASN A 57 -2.272 -17.283 20.377 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.044 -16.379 23.148 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -1.857 -18.900 21.837 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.058 -18.738 23.571 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -5.180 -20.267 21.791 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.460 -20.556 21.509 1.00 0.00 H new ATOM 873 N PHE A 58 -0.055 -16.359 21.894 1.00 0.00 N ATOM 874 CA PHE A 58 1.333 -15.908 22.209 1.00 0.00 C ATOM 875 C PHE A 58 1.409 -14.380 22.213 1.00 0.00 C ATOM 876 O PHE A 58 2.439 -13.802 22.497 1.00 0.00 O ATOM 877 CB PHE A 58 2.208 -16.482 21.093 1.00 0.00 C ATOM 878 CG PHE A 58 2.356 -17.974 21.279 1.00 0.00 C ATOM 879 CD1 PHE A 58 1.230 -18.806 21.215 1.00 0.00 C ATOM 880 CD2 PHE A 58 3.620 -18.526 21.517 1.00 0.00 C ATOM 881 CE1 PHE A 58 1.371 -20.188 21.388 1.00 0.00 C ATOM 882 CE2 PHE A 58 3.760 -19.908 21.691 1.00 0.00 C ATOM 883 CZ PHE A 58 2.635 -20.739 21.626 1.00 0.00 C ATOM 0 H PHE A 58 -0.225 -16.599 20.917 1.00 0.00 H new ATOM 0 HA PHE A 58 1.656 -16.246 23.194 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.761 -16.269 20.122 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.188 -16.005 21.104 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.254 -18.381 21.032 1.00 0.00 H new ATOM 0 HD2 PHE A 58 4.488 -17.885 21.566 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.504 -20.829 21.338 1.00 0.00 H new ATOM 0 HE2 PHE A 58 4.736 -20.333 21.875 1.00 0.00 H new ATOM 0 HZ PHE A 58 2.743 -21.805 21.760 1.00 0.00 H new ATOM 893 N VAL A 59 0.329 -13.719 21.897 1.00 0.00 N ATOM 894 CA VAL A 59 0.351 -12.228 21.883 1.00 0.00 C ATOM 895 C VAL A 59 -0.838 -11.671 22.671 1.00 0.00 C ATOM 896 O VAL A 59 -1.922 -12.219 22.649 1.00 0.00 O ATOM 897 CB VAL A 59 0.240 -11.847 20.407 1.00 0.00 C ATOM 898 CG1 VAL A 59 1.469 -12.358 19.653 1.00 0.00 C ATOM 899 CG2 VAL A 59 -1.022 -12.476 19.812 1.00 0.00 C ATOM 0 H VAL A 59 -0.564 -14.144 21.649 1.00 0.00 H new ATOM 0 HA VAL A 59 1.252 -11.824 22.344 1.00 0.00 H new ATOM 0 HB VAL A 59 0.184 -10.762 20.315 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.389 -12.086 18.600 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.368 -11.910 20.076 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.527 -13.443 19.744 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.102 -12.205 18.759 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.966 -13.561 19.904 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.898 -12.111 20.348 1.00 0.00 H new ATOM 909 N ALA A 60 -0.641 -10.584 23.368 1.00 0.00 N ATOM 910 CA ALA A 60 -1.758 -9.992 24.158 1.00 0.00 C ATOM 911 C ALA A 60 -1.919 -8.508 23.814 1.00 0.00 C ATOM 912 O ALA A 60 -0.995 -7.863 23.360 1.00 0.00 O ATOM 913 CB ALA A 60 -1.345 -10.162 25.619 1.00 0.00 C ATOM 0 H ALA A 60 0.245 -10.081 23.424 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.713 -10.473 23.947 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.119 -9.749 26.266 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.215 -11.222 25.839 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.406 -9.637 25.795 1.00 0.00 H new