USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 659 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 61 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 81 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 13 ASN : amide:sc= -0.153 X(o=-0.15,f=-0.43) USER MOD Set 2.2: A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= -0.273 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -1.76 K(o=-1.8,f=-2.7) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 162:sc= -0.0515 (180deg=-0.469) USER MOD Single : A 45 GLN : amide:sc= -1.74 K(o=-1.7,f=-5.1!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -168:sc= -0.159 (180deg=-0.471) USER MOD Single : A 60 HIS : no HE2:sc= -1.75 K(o=-1.7,f=-2.8!) USER MOD Single : A 63 LYS NZ :NH3+ 160:sc= -0.0702 (180deg=-0.561) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.0716 X(o=-0.072,f=-0.084) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot -22:sc= 0.416 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 136:sc= -0.0781 (180deg=-0.737) USER MOD ----------------------------------------------------------------- ATOM 141 N ILE A 9 0.866 5.166 3.090 1.00 1.00 N ATOM 142 CA ILE A 9 1.035 4.417 1.839 1.00 1.00 C ATOM 143 C ILE A 9 1.108 5.388 0.663 1.00 1.00 C ATOM 144 O ILE A 9 0.274 6.278 0.494 1.00 1.00 O ATOM 145 CB ILE A 9 -0.158 3.435 1.651 1.00 1.00 C ATOM 146 CG1 ILE A 9 -0.193 2.431 2.852 1.00 1.00 C ATOM 147 CG2 ILE A 9 -0.016 2.645 0.303 1.00 1.00 C ATOM 148 CD1 ILE A 9 -1.479 1.586 2.843 1.00 1.00 C ATOM 0 HA ILE A 9 1.961 3.844 1.882 1.00 1.00 H new ATOM 0 HB ILE A 9 -1.086 4.006 1.619 1.00 1.00 H new ATOM 0 HG12 ILE A 9 0.676 1.774 2.804 1.00 1.00 H new ATOM 0 HG13 ILE A 9 -0.125 2.982 3.790 1.00 1.00 H new ATOM 0 HG21 ILE A 9 -0.859 1.964 0.190 1.00 1.00 H new ATOM 0 HG22 ILE A 9 -0.002 3.347 -0.531 1.00 1.00 H new ATOM 0 HG23 ILE A 9 0.913 2.074 0.312 1.00 1.00 H new ATOM 0 HD11 ILE A 9 -1.470 0.900 3.690 1.00 1.00 H new ATOM 0 HD12 ILE A 9 -2.346 2.242 2.917 1.00 1.00 H new ATOM 0 HD13 ILE A 9 -1.533 1.016 1.915 1.00 1.00 H new ATOM 160 N VAL A 10 2.112 5.186 -0.183 1.00 1.00 N ATOM 161 CA VAL A 10 2.302 6.035 -1.383 1.00 1.00 C ATOM 162 C VAL A 10 1.909 5.248 -2.639 1.00 1.00 C ATOM 163 O VAL A 10 2.170 4.051 -2.763 1.00 1.00 O ATOM 164 CB VAL A 10 3.786 6.540 -1.463 1.00 1.00 C ATOM 165 CG1 VAL A 10 4.763 5.394 -1.825 1.00 1.00 C ATOM 166 CG2 VAL A 10 3.914 7.684 -2.511 1.00 1.00 C ATOM 0 H VAL A 10 2.810 4.450 -0.073 1.00 1.00 H new ATOM 0 HA VAL A 10 1.658 6.912 -1.314 1.00 1.00 H new ATOM 0 HB VAL A 10 4.054 6.917 -0.476 1.00 1.00 H new ATOM 0 HG11 VAL A 10 5.780 5.784 -1.871 1.00 1.00 H new ATOM 0 HG12 VAL A 10 4.707 4.614 -1.065 1.00 1.00 H new ATOM 0 HG13 VAL A 10 4.491 4.976 -2.794 1.00 1.00 H new ATOM 0 HG21 VAL A 10 4.949 8.023 -2.555 1.00 1.00 H new ATOM 0 HG22 VAL A 10 3.611 7.315 -3.491 1.00 1.00 H new ATOM 0 HG23 VAL A 10 3.271 8.516 -2.222 1.00 1.00 H new ATOM 176 N LEU A 11 1.290 5.934 -3.592 1.00 1.00 N ATOM 177 CA LEU A 11 0.853 5.280 -4.856 1.00 1.00 C ATOM 178 C LEU A 11 1.869 5.589 -5.966 1.00 1.00 C ATOM 179 O LEU A 11 2.096 6.742 -6.335 1.00 1.00 O ATOM 180 CB LEU A 11 -0.585 5.765 -5.240 1.00 1.00 C ATOM 181 CG LEU A 11 -1.408 4.702 -6.093 1.00 1.00 C ATOM 182 CD1 LEU A 11 -0.562 4.015 -7.200 1.00 1.00 C ATOM 183 CD2 LEU A 11 -2.015 3.604 -5.176 1.00 1.00 C ATOM 0 H LEU A 11 1.074 6.929 -3.532 1.00 1.00 H new ATOM 0 HA LEU A 11 0.812 4.199 -4.721 1.00 1.00 H new ATOM 0 HB2 LEU A 11 -1.138 5.994 -4.329 1.00 1.00 H new ATOM 0 HB3 LEU A 11 -0.507 6.692 -5.807 1.00 1.00 H new ATOM 0 HG LEU A 11 -2.200 5.270 -6.581 1.00 1.00 H new ATOM 0 HD11 LEU A 11 -1.183 3.303 -7.743 1.00 1.00 H new ATOM 0 HD12 LEU A 11 -0.186 4.769 -7.891 1.00 1.00 H new ATOM 0 HD13 LEU A 11 0.277 3.490 -6.744 1.00 1.00 H new ATOM 0 HD21 LEU A 11 -2.572 2.890 -5.783 1.00 1.00 H new ATOM 0 HD22 LEU A 11 -1.214 3.085 -4.650 1.00 1.00 H new ATOM 0 HD23 LEU A 11 -2.686 4.065 -4.451 1.00 1.00 H new ATOM 195 N ARG A 12 2.473 4.538 -6.509 1.00 1.00 N ATOM 196 CA ARG A 12 3.473 4.672 -7.595 1.00 1.00 C ATOM 197 C ARG A 12 2.839 4.310 -8.945 1.00 1.00 C ATOM 198 O ARG A 12 1.932 3.483 -9.023 1.00 1.00 O ATOM 199 CB ARG A 12 4.688 3.763 -7.295 1.00 1.00 C ATOM 200 CG ARG A 12 5.796 3.943 -8.368 1.00 1.00 C ATOM 201 CD ARG A 12 7.040 3.116 -8.016 1.00 1.00 C ATOM 202 NE ARG A 12 8.060 3.295 -9.058 1.00 1.00 N ATOM 203 CZ ARG A 12 7.930 2.767 -10.287 1.00 1.00 C ATOM 204 NH1 ARG A 12 6.917 1.989 -10.571 1.00 1.00 N ATOM 205 NH2 ARG A 12 8.836 3.005 -11.196 1.00 1.00 N ATOM 0 H ARG A 12 2.296 3.575 -6.223 1.00 1.00 H new ATOM 0 HA ARG A 12 3.815 5.706 -7.648 1.00 1.00 H new ATOM 0 HB2 ARG A 12 5.089 4.000 -6.310 1.00 1.00 H new ATOM 0 HB3 ARG A 12 4.369 2.721 -7.268 1.00 1.00 H new ATOM 0 HG2 ARG A 12 5.416 3.638 -9.343 1.00 1.00 H new ATOM 0 HG3 ARG A 12 6.065 4.996 -8.445 1.00 1.00 H new ATOM 0 HD2 ARG A 12 7.435 3.427 -7.049 1.00 1.00 H new ATOM 0 HD3 ARG A 12 6.776 2.062 -7.928 1.00 1.00 H new ATOM 0 HE ARG A 12 8.895 3.839 -8.841 1.00 1.00 H new ATOM 0 HH11 ARG A 12 6.219 1.779 -9.857 1.00 1.00 H new ATOM 0 HH12 ARG A 12 6.825 1.592 -11.506 1.00 1.00 H new ATOM 0 HH21 ARG A 12 9.641 3.591 -10.973 1.00 1.00 H new ATOM 0 HH22 ARG A 12 8.739 2.605 -12.129 1.00 1.00 H new ATOM 219 N ASN A 13 3.323 4.935 -10.013 1.00 1.00 N ATOM 220 CA ASN A 13 2.826 4.708 -11.387 1.00 1.00 C ATOM 221 C ASN A 13 1.442 5.344 -11.585 1.00 1.00 C ATOM 222 O ASN A 13 0.977 5.516 -12.711 1.00 1.00 O ATOM 223 CB ASN A 13 2.792 3.193 -11.736 1.00 1.00 C ATOM 224 CG ASN A 13 2.727 2.984 -13.247 1.00 1.00 C ATOM 225 OD1 ASN A 13 1.652 3.061 -13.838 1.00 1.00 O ATOM 226 ND2 ASN A 13 3.822 2.725 -13.910 1.00 1.00 N ATOM 0 H ASN A 13 4.077 5.620 -9.961 1.00 1.00 H new ATOM 0 HA ASN A 13 3.523 5.191 -12.071 1.00 1.00 H new ATOM 0 HB2 ASN A 13 3.679 2.703 -11.335 1.00 1.00 H new ATOM 0 HB3 ASN A 13 1.928 2.726 -11.263 1.00 1.00 H new ATOM 0 HD21 ASN A 13 3.786 2.586 -14.920 1.00 1.00 H new ATOM 0 HD22 ASN A 13 4.713 2.661 -13.418 1.00 1.00 H new ATOM 233 N LEU A 14 0.792 5.694 -10.480 1.00 1.00 N ATOM 234 CA LEU A 14 -0.580 6.323 -10.520 1.00 1.00 C ATOM 235 C LEU A 14 -0.879 7.044 -11.870 1.00 1.00 C ATOM 236 O LEU A 14 -0.562 8.230 -11.973 1.00 1.00 O ATOM 237 CB LEU A 14 -0.734 7.364 -9.366 1.00 1.00 C ATOM 238 CG LEU A 14 -2.131 8.123 -9.384 1.00 1.00 C ATOM 239 CD1 LEU A 14 -3.335 7.171 -9.648 1.00 1.00 C ATOM 240 CD2 LEU A 14 -2.329 8.861 -8.036 1.00 1.00 C ATOM 0 H LEU A 14 1.165 5.566 -9.539 1.00 1.00 H new ATOM 0 HA LEU A 14 -1.291 5.504 -10.405 1.00 1.00 H new ATOM 0 HB2 LEU A 14 -0.618 6.855 -8.409 1.00 1.00 H new ATOM 0 HB3 LEU A 14 0.070 8.096 -9.437 1.00 1.00 H new ATOM 0 HG LEU A 14 -2.105 8.834 -10.210 1.00 1.00 H new ATOM 0 HD11 LEU A 14 -4.261 7.747 -9.649 1.00 1.00 H new ATOM 0 HD12 LEU A 14 -3.209 6.685 -10.616 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -3.379 6.414 -8.865 1.00 1.00 H new ATOM 0 HD21 LEU A 14 -3.286 9.383 -8.044 1.00 1.00 H new ATOM 0 HD22 LEU A 14 -2.317 8.138 -7.220 1.00 1.00 H new ATOM 0 HD23 LEU A 14 -1.524 9.582 -7.894 1.00 1.00 H new ATOM 252 N PRO A 15 -1.455 6.398 -12.848 1.00 1.00 N ATOM 253 CA PRO A 15 -1.766 7.085 -14.146 1.00 1.00 C ATOM 254 C PRO A 15 -2.760 8.209 -13.938 1.00 1.00 C ATOM 255 O PRO A 15 -3.849 7.995 -13.405 1.00 1.00 O ATOM 256 CB PRO A 15 -2.369 5.964 -15.047 1.00 1.00 C ATOM 257 CG PRO A 15 -1.869 4.697 -14.422 1.00 1.00 C ATOM 258 CD PRO A 15 -1.880 4.972 -12.905 1.00 1.00 C ATOM 0 HA PRO A 15 -0.884 7.543 -14.594 1.00 1.00 H new ATOM 0 HB2 PRO A 15 -3.458 6.002 -15.058 1.00 1.00 H new ATOM 0 HB3 PRO A 15 -2.036 6.059 -16.081 1.00 1.00 H new ATOM 0 HG2 PRO A 15 -2.509 3.852 -14.675 1.00 1.00 H new ATOM 0 HG3 PRO A 15 -0.866 4.453 -14.772 1.00 1.00 H new ATOM 0 HD2 PRO A 15 -2.868 4.823 -12.470 1.00 1.00 H new ATOM 0 HD3 PRO A 15 -1.193 4.319 -12.367 1.00 1.00 H new ATOM 266 N GLU A 16 -2.433 9.418 -14.384 1.00 1.00 N ATOM 267 CA GLU A 16 -3.316 10.564 -14.248 1.00 1.00 C ATOM 268 C GLU A 16 -4.726 10.230 -14.740 1.00 1.00 C ATOM 269 O GLU A 16 -5.703 10.403 -14.010 1.00 1.00 O ATOM 270 CB GLU A 16 -2.705 11.760 -15.025 1.00 1.00 C ATOM 271 CG GLU A 16 -2.563 11.443 -16.552 1.00 1.00 C ATOM 272 CD GLU A 16 -1.627 12.437 -17.234 1.00 1.00 C ATOM 273 OE1 GLU A 16 -0.431 12.192 -17.220 1.00 1.00 O ATOM 274 OE2 GLU A 16 -2.117 13.416 -17.766 1.00 1.00 O ATOM 0 H GLU A 16 -1.549 9.627 -14.849 1.00 1.00 H new ATOM 0 HA GLU A 16 -3.408 10.835 -13.196 1.00 1.00 H new ATOM 0 HB2 GLU A 16 -3.334 12.640 -14.892 1.00 1.00 H new ATOM 0 HB3 GLU A 16 -1.726 12.002 -14.610 1.00 1.00 H new ATOM 0 HG2 GLU A 16 -2.181 10.430 -16.683 1.00 1.00 H new ATOM 0 HG3 GLU A 16 -3.544 11.477 -17.027 1.00 1.00 H new ATOM 281 N ASP A 17 -4.837 9.748 -15.972 1.00 1.00 N ATOM 282 CA ASP A 17 -6.128 9.382 -16.579 1.00 1.00 C ATOM 283 C ASP A 17 -7.032 8.608 -15.604 1.00 1.00 C ATOM 284 O ASP A 17 -8.255 8.579 -15.745 1.00 1.00 O ATOM 285 CB ASP A 17 -5.866 8.536 -17.838 1.00 1.00 C ATOM 286 CG ASP A 17 -4.944 9.293 -18.799 1.00 1.00 C ATOM 287 OD1 ASP A 17 -5.197 10.463 -19.032 1.00 1.00 O ATOM 288 OD2 ASP A 17 -4.001 8.691 -19.286 1.00 1.00 O ATOM 0 H ASP A 17 -4.037 9.596 -16.587 1.00 1.00 H new ATOM 0 HA ASP A 17 -6.653 10.301 -16.840 1.00 1.00 H new ATOM 0 HB2 ASP A 17 -5.411 7.586 -17.559 1.00 1.00 H new ATOM 0 HB3 ASP A 17 -6.809 8.305 -18.333 1.00 1.00 H new ATOM 293 N LEU A 18 -6.423 7.992 -14.595 1.00 1.00 N ATOM 294 CA LEU A 18 -7.147 7.217 -13.565 1.00 1.00 C ATOM 295 C LEU A 18 -6.957 7.900 -12.198 1.00 1.00 C ATOM 296 O LEU A 18 -5.908 8.469 -11.896 1.00 1.00 O ATOM 297 CB LEU A 18 -6.616 5.756 -13.530 1.00 1.00 C ATOM 298 CG LEU A 18 -6.641 5.107 -14.954 1.00 1.00 C ATOM 299 CD1 LEU A 18 -6.089 3.650 -14.897 1.00 1.00 C ATOM 300 CD2 LEU A 18 -8.086 5.105 -15.549 1.00 1.00 C ATOM 0 H LEU A 18 -5.412 8.010 -14.459 1.00 1.00 H new ATOM 0 HA LEU A 18 -8.210 7.186 -13.803 1.00 1.00 H new ATOM 0 HB2 LEU A 18 -5.598 5.746 -13.142 1.00 1.00 H new ATOM 0 HB3 LEU A 18 -7.223 5.162 -12.847 1.00 1.00 H new ATOM 0 HG LEU A 18 -6.003 5.706 -15.604 1.00 1.00 H new ATOM 0 HD11 LEU A 18 -6.113 3.213 -15.895 1.00 1.00 H new ATOM 0 HD12 LEU A 18 -5.062 3.664 -14.532 1.00 1.00 H new ATOM 0 HD13 LEU A 18 -6.705 3.053 -14.224 1.00 1.00 H new ATOM 0 HD21 LEU A 18 -8.071 4.648 -16.538 1.00 1.00 H new ATOM 0 HD22 LEU A 18 -8.748 4.536 -14.896 1.00 1.00 H new ATOM 0 HD23 LEU A 18 -8.448 6.130 -15.628 1.00 1.00 H new ATOM 312 N VAL A 19 -7.986 7.834 -11.358 1.00 1.00 N ATOM 313 CA VAL A 19 -7.942 8.466 -10.006 1.00 1.00 C ATOM 314 C VAL A 19 -8.627 7.574 -8.967 1.00 1.00 C ATOM 315 O VAL A 19 -9.542 6.809 -9.272 1.00 1.00 O ATOM 316 CB VAL A 19 -8.628 9.875 -10.031 1.00 1.00 C ATOM 317 CG1 VAL A 19 -7.867 10.825 -10.992 1.00 1.00 C ATOM 318 CG2 VAL A 19 -10.104 9.746 -10.485 1.00 1.00 C ATOM 0 H VAL A 19 -8.862 7.357 -11.570 1.00 1.00 H new ATOM 0 HA VAL A 19 -6.895 8.588 -9.728 1.00 1.00 H new ATOM 0 HB VAL A 19 -8.601 10.290 -9.024 1.00 1.00 H new ATOM 0 HG11 VAL A 19 -8.354 11.800 -11.000 1.00 1.00 H new ATOM 0 HG12 VAL A 19 -6.837 10.936 -10.653 1.00 1.00 H new ATOM 0 HG13 VAL A 19 -7.875 10.407 -11.999 1.00 1.00 H new ATOM 0 HG21 VAL A 19 -10.568 10.732 -10.498 1.00 1.00 H new ATOM 0 HG22 VAL A 19 -10.141 9.315 -11.485 1.00 1.00 H new ATOM 0 HG23 VAL A 19 -10.643 9.100 -9.792 1.00 1.00 H new ATOM 328 N LEU A 20 -8.174 7.696 -7.722 1.00 1.00 N ATOM 329 CA LEU A 20 -8.716 6.917 -6.596 1.00 1.00 C ATOM 330 C LEU A 20 -9.902 7.689 -5.962 1.00 1.00 C ATOM 331 O LEU A 20 -9.793 8.874 -5.647 1.00 1.00 O ATOM 332 CB LEU A 20 -7.553 6.666 -5.561 1.00 1.00 C ATOM 333 CG LEU A 20 -7.531 5.194 -5.034 1.00 1.00 C ATOM 334 CD1 LEU A 20 -6.382 5.036 -4.014 1.00 1.00 C ATOM 335 CD2 LEU A 20 -8.894 4.820 -4.378 1.00 1.00 C ATOM 0 H LEU A 20 -7.423 8.334 -7.459 1.00 1.00 H new ATOM 0 HA LEU A 20 -9.095 5.951 -6.930 1.00 1.00 H new ATOM 0 HB2 LEU A 20 -6.597 6.895 -6.031 1.00 1.00 H new ATOM 0 HB3 LEU A 20 -7.666 7.349 -4.719 1.00 1.00 H new ATOM 0 HG LEU A 20 -7.368 4.518 -5.874 1.00 1.00 H new ATOM 0 HD11 LEU A 20 -6.363 4.011 -3.644 1.00 1.00 H new ATOM 0 HD12 LEU A 20 -5.432 5.265 -4.497 1.00 1.00 H new ATOM 0 HD13 LEU A 20 -6.539 5.720 -3.180 1.00 1.00 H new ATOM 0 HD21 LEU A 20 -8.855 3.792 -4.019 1.00 1.00 H new ATOM 0 HD22 LEU A 20 -9.091 5.490 -3.541 1.00 1.00 H new ATOM 0 HD23 LEU A 20 -9.691 4.917 -5.115 1.00 1.00 H new ATOM 347 N GLU A 21 -11.026 7.007 -5.762 1.00 1.00 N ATOM 348 CA GLU A 21 -12.225 7.644 -5.175 1.00 1.00 C ATOM 349 C GLU A 21 -11.958 8.164 -3.749 1.00 1.00 C ATOM 350 O GLU A 21 -12.445 9.220 -3.346 1.00 1.00 O ATOM 351 CB GLU A 21 -13.405 6.638 -5.170 1.00 1.00 C ATOM 352 CG GLU A 21 -12.995 5.319 -4.474 1.00 1.00 C ATOM 353 CD GLU A 21 -14.180 4.357 -4.429 1.00 1.00 C ATOM 354 OE1 GLU A 21 -14.916 4.317 -5.400 1.00 1.00 O ATOM 355 OE2 GLU A 21 -14.335 3.678 -3.425 1.00 1.00 O ATOM 0 H GLU A 21 -11.143 6.020 -5.992 1.00 1.00 H new ATOM 0 HA GLU A 21 -12.484 8.505 -5.792 1.00 1.00 H new ATOM 0 HB2 GLU A 21 -14.261 7.076 -4.656 1.00 1.00 H new ATOM 0 HB3 GLU A 21 -13.719 6.433 -6.193 1.00 1.00 H new ATOM 0 HG2 GLU A 21 -12.164 4.860 -5.010 1.00 1.00 H new ATOM 0 HG3 GLU A 21 -12.647 5.526 -3.462 1.00 1.00 H new ATOM 362 N LYS A 22 -11.180 7.405 -2.985 1.00 1.00 N ATOM 363 CA LYS A 22 -10.868 7.796 -1.577 1.00 1.00 C ATOM 364 C LYS A 22 -9.439 7.346 -1.173 1.00 1.00 C ATOM 365 O LYS A 22 -8.987 6.316 -1.676 1.00 1.00 O ATOM 366 CB LYS A 22 -11.908 7.165 -0.607 1.00 1.00 C ATOM 367 CG LYS A 22 -13.350 7.622 -0.972 1.00 1.00 C ATOM 368 CD LYS A 22 -14.361 7.165 0.106 1.00 1.00 C ATOM 369 CE LYS A 22 -15.777 7.654 -0.258 1.00 1.00 C ATOM 370 NZ LYS A 22 -16.747 7.186 0.770 1.00 1.00 N ATOM 0 H LYS A 22 -10.752 6.531 -3.290 1.00 1.00 H new ATOM 0 HA LYS A 22 -10.918 8.883 -1.511 1.00 1.00 H new ATOM 0 HB2 LYS A 22 -11.843 6.078 -0.654 1.00 1.00 H new ATOM 0 HB3 LYS A 22 -11.678 7.454 0.418 1.00 1.00 H new ATOM 0 HG2 LYS A 22 -13.379 8.707 -1.067 1.00 1.00 H new ATOM 0 HG3 LYS A 22 -13.633 7.209 -1.940 1.00 1.00 H new ATOM 0 HD2 LYS A 22 -14.352 6.078 0.187 1.00 1.00 H new ATOM 0 HD3 LYS A 22 -14.070 7.559 1.080 1.00 1.00 H new ATOM 0 HE2 LYS A 22 -15.792 8.742 -0.318 1.00 1.00 H new ATOM 0 HE3 LYS A 22 -16.062 7.276 -1.240 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 -17.701 7.517 0.523 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 -16.739 6.147 0.807 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 -16.479 7.567 1.700 1.00 1.00 H new ATOM 384 N PRO A 23 -8.750 8.039 -0.308 1.00 1.00 N ATOM 385 CA PRO A 23 -7.364 7.607 0.113 1.00 1.00 C ATOM 386 C PRO A 23 -7.289 6.114 0.498 1.00 1.00 C ATOM 387 O PRO A 23 -8.274 5.491 0.893 1.00 1.00 O ATOM 388 CB PRO A 23 -7.046 8.514 1.332 1.00 1.00 C ATOM 389 CG PRO A 23 -7.819 9.768 1.059 1.00 1.00 C ATOM 390 CD PRO A 23 -9.129 9.305 0.384 1.00 1.00 C ATOM 0 HA PRO A 23 -6.648 7.712 -0.703 1.00 1.00 H new ATOM 0 HB2 PRO A 23 -7.356 8.049 2.268 1.00 1.00 H new ATOM 0 HB3 PRO A 23 -5.977 8.713 1.414 1.00 1.00 H new ATOM 0 HG2 PRO A 23 -8.023 10.312 1.981 1.00 1.00 H new ATOM 0 HG3 PRO A 23 -7.259 10.441 0.410 1.00 1.00 H new ATOM 0 HD2 PRO A 23 -9.918 9.138 1.117 1.00 1.00 H new ATOM 0 HD3 PRO A 23 -9.500 10.049 -0.320 1.00 1.00 H new ATOM 398 N LEU A 24 -6.082 5.563 0.412 1.00 1.00 N ATOM 399 CA LEU A 24 -5.844 4.141 0.733 1.00 1.00 C ATOM 400 C LEU A 24 -6.602 3.683 2.046 1.00 1.00 C ATOM 401 O LEU A 24 -6.526 4.386 3.054 1.00 1.00 O ATOM 402 CB LEU A 24 -4.312 3.882 0.874 1.00 1.00 C ATOM 403 CG LEU A 24 -3.569 3.803 -0.502 1.00 1.00 C ATOM 404 CD1 LEU A 24 -4.040 2.596 -1.366 1.00 1.00 C ATOM 405 CD2 LEU A 24 -3.724 5.129 -1.289 1.00 1.00 C ATOM 0 H LEU A 24 -5.247 6.072 0.123 1.00 1.00 H new ATOM 0 HA LEU A 24 -6.244 3.547 -0.089 1.00 1.00 H new ATOM 0 HB2 LEU A 24 -3.869 4.678 1.473 1.00 1.00 H new ATOM 0 HB3 LEU A 24 -4.156 2.950 1.417 1.00 1.00 H new ATOM 0 HG LEU A 24 -2.513 3.645 -0.281 1.00 1.00 H new ATOM 0 HD11 LEU A 24 -3.493 2.588 -2.309 1.00 1.00 H new ATOM 0 HD12 LEU A 24 -3.849 1.667 -0.828 1.00 1.00 H new ATOM 0 HD13 LEU A 24 -5.108 2.687 -1.566 1.00 1.00 H new ATOM 0 HD21 LEU A 24 -3.200 5.050 -2.241 1.00 1.00 H new ATOM 0 HD22 LEU A 24 -4.781 5.322 -1.472 1.00 1.00 H new ATOM 0 HD23 LEU A 24 -3.300 5.948 -0.708 1.00 1.00 H new ATOM 417 N PRO A 25 -7.297 2.579 2.038 1.00 1.00 N ATOM 418 CA PRO A 25 -8.034 2.114 3.285 1.00 1.00 C ATOM 419 C PRO A 25 -7.180 2.145 4.569 1.00 1.00 C ATOM 420 O PRO A 25 -7.679 2.436 5.656 1.00 1.00 O ATOM 421 CB PRO A 25 -8.443 0.652 2.940 1.00 1.00 C ATOM 422 CG PRO A 25 -8.642 0.677 1.454 1.00 1.00 C ATOM 423 CD PRO A 25 -7.535 1.615 0.917 1.00 1.00 C ATOM 0 HA PRO A 25 -8.870 2.776 3.510 1.00 1.00 H new ATOM 0 HB2 PRO A 25 -7.668 -0.059 3.228 1.00 1.00 H new ATOM 0 HB3 PRO A 25 -9.354 0.358 3.461 1.00 1.00 H new ATOM 0 HG2 PRO A 25 -8.554 -0.322 1.027 1.00 1.00 H new ATOM 0 HG3 PRO A 25 -9.634 1.048 1.195 1.00 1.00 H new ATOM 0 HD2 PRO A 25 -6.630 1.061 0.668 1.00 1.00 H new ATOM 0 HD3 PRO A 25 -7.853 2.129 0.010 1.00 1.00 H new ATOM 431 N GLU A 26 -5.899 1.814 4.438 1.00 1.00 N ATOM 432 CA GLU A 26 -4.959 1.783 5.574 1.00 1.00 C ATOM 433 C GLU A 26 -5.381 0.711 6.585 1.00 1.00 C ATOM 434 O GLU A 26 -6.548 0.625 6.968 1.00 1.00 O ATOM 435 CB GLU A 26 -4.852 3.176 6.252 1.00 1.00 C ATOM 436 CG GLU A 26 -3.734 3.187 7.325 1.00 1.00 C ATOM 437 CD GLU A 26 -3.605 4.568 7.978 1.00 1.00 C ATOM 438 OE1 GLU A 26 -4.480 5.397 7.778 1.00 1.00 O ATOM 439 OE2 GLU A 26 -2.632 4.771 8.683 1.00 1.00 O ATOM 0 H GLU A 26 -5.475 1.559 3.546 1.00 1.00 H new ATOM 0 HA GLU A 26 -3.971 1.527 5.192 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -4.645 3.936 5.499 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -5.806 3.434 6.713 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -3.952 2.440 8.088 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -2.785 2.908 6.868 1.00 1.00 H new ATOM 446 N VAL A 27 -4.429 -0.110 7.022 1.00 1.00 N ATOM 447 CA VAL A 27 -4.692 -1.194 7.973 1.00 1.00 C ATOM 448 C VAL A 27 -3.412 -1.562 8.740 1.00 1.00 C ATOM 449 O VAL A 27 -2.293 -1.252 8.330 1.00 1.00 O ATOM 450 CB VAL A 27 -5.263 -2.395 7.181 1.00 1.00 C ATOM 451 CG1 VAL A 27 -4.280 -2.836 6.059 1.00 1.00 C ATOM 452 CG2 VAL A 27 -5.573 -3.585 8.132 1.00 1.00 C ATOM 0 H VAL A 27 -3.454 -0.045 6.729 1.00 1.00 H new ATOM 0 HA VAL A 27 -5.420 -0.882 8.722 1.00 1.00 H new ATOM 0 HB VAL A 27 -6.195 -2.077 6.713 1.00 1.00 H new ATOM 0 HG11 VAL A 27 -4.703 -3.681 5.516 1.00 1.00 H new ATOM 0 HG12 VAL A 27 -4.118 -2.007 5.370 1.00 1.00 H new ATOM 0 HG13 VAL A 27 -3.329 -3.129 6.503 1.00 1.00 H new ATOM 0 HG21 VAL A 27 -5.973 -4.418 7.554 1.00 1.00 H new ATOM 0 HG22 VAL A 27 -4.657 -3.898 8.633 1.00 1.00 H new ATOM 0 HG23 VAL A 27 -6.306 -3.274 8.876 1.00 1.00 H new ATOM 462 N SER A 28 -3.582 -2.213 9.885 1.00 1.00 N ATOM 463 CA SER A 28 -2.445 -2.615 10.739 1.00 1.00 C ATOM 464 C SER A 28 -1.862 -3.960 10.285 1.00 1.00 C ATOM 465 O SER A 28 -2.424 -4.667 9.450 1.00 1.00 O ATOM 466 CB SER A 28 -2.917 -2.727 12.197 1.00 1.00 C ATOM 467 OG SER A 28 -1.821 -3.115 13.016 1.00 1.00 O ATOM 0 H SER A 28 -4.495 -2.479 10.254 1.00 1.00 H new ATOM 0 HA SER A 28 -1.666 -1.857 10.655 1.00 1.00 H new ATOM 0 HB2 SER A 28 -3.319 -1.772 12.536 1.00 1.00 H new ATOM 0 HB3 SER A 28 -3.722 -3.458 12.276 1.00 1.00 H new ATOM 0 HG SER A 28 -2.118 -3.186 13.947 1.00 1.00 H new ATOM 473 N VAL A 29 -0.703 -4.306 10.837 1.00 1.00 N ATOM 474 CA VAL A 29 0.004 -5.565 10.492 1.00 1.00 C ATOM 475 C VAL A 29 0.658 -6.155 11.738 1.00 1.00 C ATOM 476 O VAL A 29 0.868 -5.463 12.733 1.00 1.00 O ATOM 477 CB VAL A 29 1.079 -5.268 9.406 1.00 1.00 C ATOM 478 CG1 VAL A 29 2.047 -4.158 9.885 1.00 1.00 C ATOM 479 CG2 VAL A 29 1.881 -6.552 9.034 1.00 1.00 C ATOM 0 H VAL A 29 -0.219 -3.737 11.532 1.00 1.00 H new ATOM 0 HA VAL A 29 -0.710 -6.290 10.102 1.00 1.00 H new ATOM 0 HB VAL A 29 0.558 -4.922 8.514 1.00 1.00 H new ATOM 0 HG11 VAL A 29 2.791 -3.965 9.112 1.00 1.00 H new ATOM 0 HG12 VAL A 29 1.485 -3.246 10.083 1.00 1.00 H new ATOM 0 HG13 VAL A 29 2.548 -4.481 10.798 1.00 1.00 H new ATOM 0 HG21 VAL A 29 2.623 -6.310 8.273 1.00 1.00 H new ATOM 0 HG22 VAL A 29 2.383 -6.937 9.921 1.00 1.00 H new ATOM 0 HG23 VAL A 29 1.198 -7.308 8.647 1.00 1.00 H new ATOM 489 N THR A 30 1.010 -7.435 11.700 1.00 1.00 N ATOM 490 CA THR A 30 1.666 -8.111 12.845 1.00 1.00 C ATOM 491 C THR A 30 3.064 -8.597 12.435 1.00 1.00 C ATOM 492 O THR A 30 3.218 -9.321 11.452 1.00 1.00 O ATOM 493 CB THR A 30 0.791 -9.312 13.287 1.00 1.00 C ATOM 494 OG1 THR A 30 -0.553 -8.861 13.457 1.00 1.00 O ATOM 495 CG2 THR A 30 1.286 -9.884 14.631 1.00 1.00 C ATOM 0 H THR A 30 0.857 -8.039 10.892 1.00 1.00 H new ATOM 0 HA THR A 30 1.772 -7.412 13.675 1.00 1.00 H new ATOM 0 HB THR A 30 0.851 -10.089 12.525 1.00 1.00 H new ATOM 0 HG1 THR A 30 -1.117 -9.612 13.735 1.00 1.00 H new ATOM 0 HG21 THR A 30 0.657 -10.726 14.922 1.00 1.00 H new ATOM 0 HG22 THR A 30 2.317 -10.221 14.525 1.00 1.00 H new ATOM 0 HG23 THR A 30 1.234 -9.110 15.397 1.00 1.00 H new ATOM 503 N ILE A 31 4.085 -8.228 13.201 1.00 1.00 N ATOM 504 CA ILE A 31 5.491 -8.625 12.944 1.00 1.00 C ATOM 505 C ILE A 31 6.099 -9.227 14.226 1.00 1.00 C ATOM 506 O ILE A 31 5.737 -8.880 15.348 1.00 1.00 O ATOM 507 CB ILE A 31 6.306 -7.390 12.451 1.00 1.00 C ATOM 508 CG1 ILE A 31 5.679 -6.839 11.123 1.00 1.00 C ATOM 509 CG2 ILE A 31 7.787 -7.770 12.210 1.00 1.00 C ATOM 510 CD1 ILE A 31 5.731 -7.827 9.925 1.00 1.00 C ATOM 0 H ILE A 31 3.974 -7.640 14.027 1.00 1.00 H new ATOM 0 HA ILE A 31 5.526 -9.384 12.162 1.00 1.00 H new ATOM 0 HB ILE A 31 6.267 -6.620 13.221 1.00 1.00 H new ATOM 0 HG12 ILE A 31 4.639 -6.571 11.311 1.00 1.00 H new ATOM 0 HG13 ILE A 31 6.199 -5.922 10.844 1.00 1.00 H new ATOM 0 HG21 ILE A 31 8.336 -6.893 11.867 1.00 1.00 H new ATOM 0 HG22 ILE A 31 8.226 -8.132 13.140 1.00 1.00 H new ATOM 0 HG23 ILE A 31 7.843 -8.553 11.453 1.00 1.00 H new ATOM 0 HD11 ILE A 31 5.276 -7.363 9.050 1.00 1.00 H new ATOM 0 HD12 ILE A 31 6.769 -8.077 9.704 1.00 1.00 H new ATOM 0 HD13 ILE A 31 5.185 -8.736 10.179 1.00 1.00 H new ATOM 522 N ARG A 32 7.043 -10.144 14.039 1.00 1.00 N ATOM 523 CA ARG A 32 7.739 -10.834 15.157 1.00 1.00 C ATOM 524 C ARG A 32 9.242 -10.598 15.042 1.00 1.00 C ATOM 525 O ARG A 32 9.886 -10.966 14.059 1.00 1.00 O ATOM 526 CB ARG A 32 7.442 -12.350 15.101 1.00 1.00 C ATOM 527 CG ARG A 32 5.967 -12.635 15.481 1.00 1.00 C ATOM 528 CD ARG A 32 5.683 -14.142 15.363 1.00 1.00 C ATOM 529 NE ARG A 32 6.557 -14.866 16.290 1.00 1.00 N ATOM 530 CZ ARG A 32 6.632 -16.198 16.319 1.00 1.00 C ATOM 531 NH1 ARG A 32 5.926 -16.922 15.491 1.00 1.00 N ATOM 532 NH2 ARG A 32 7.434 -16.775 17.172 1.00 1.00 N ATOM 0 H ARG A 32 7.358 -10.440 13.115 1.00 1.00 H new ATOM 0 HA ARG A 32 7.382 -10.436 16.107 1.00 1.00 H new ATOM 0 HB2 ARG A 32 7.644 -12.728 14.099 1.00 1.00 H new ATOM 0 HB3 ARG A 32 8.107 -12.881 15.782 1.00 1.00 H new ATOM 0 HG2 ARG A 32 5.772 -12.297 16.499 1.00 1.00 H new ATOM 0 HG3 ARG A 32 5.298 -12.077 14.826 1.00 1.00 H new ATOM 0 HD2 ARG A 32 4.638 -14.347 15.593 1.00 1.00 H new ATOM 0 HD3 ARG A 32 5.856 -14.479 14.341 1.00 1.00 H new ATOM 0 HE ARG A 32 7.132 -14.330 16.940 1.00 1.00 H new ATOM 0 HH11 ARG A 32 5.311 -16.469 14.815 1.00 1.00 H new ATOM 0 HH12 ARG A 32 5.990 -17.940 15.521 1.00 1.00 H new ATOM 0 HH21 ARG A 32 7.995 -16.208 17.808 1.00 1.00 H new ATOM 0 HH22 ARG A 32 7.499 -17.792 17.203 1.00 1.00 H new ATOM 546 N ALA A 33 9.811 -9.977 16.071 1.00 1.00 N ATOM 547 CA ALA A 33 11.244 -9.678 16.082 1.00 1.00 C ATOM 548 C ALA A 33 11.682 -9.283 17.497 1.00 1.00 C ATOM 549 O ALA A 33 10.870 -9.169 18.415 1.00 1.00 O ATOM 550 CB ALA A 33 11.553 -8.565 15.019 1.00 1.00 C ATOM 0 H ALA A 33 9.308 -9.672 16.904 1.00 1.00 H new ATOM 0 HA ALA A 33 11.819 -10.562 15.806 1.00 1.00 H new ATOM 0 HB1 ALA A 33 12.620 -8.341 15.026 1.00 1.00 H new ATOM 0 HB2 ALA A 33 11.263 -8.917 14.029 1.00 1.00 H new ATOM 0 HB3 ALA A 33 10.992 -7.663 15.263 1.00 1.00 H new ATOM 556 N TYR A 34 12.982 -9.062 17.657 1.00 1.00 N ATOM 557 CA TYR A 34 13.549 -8.691 18.954 1.00 1.00 C ATOM 558 C TYR A 34 13.117 -7.255 19.355 1.00 1.00 C ATOM 559 O TYR A 34 12.942 -6.422 18.466 1.00 1.00 O ATOM 560 CB TYR A 34 15.091 -8.779 18.857 1.00 1.00 C ATOM 561 CG TYR A 34 15.532 -10.249 18.738 1.00 1.00 C ATOM 562 CD1 TYR A 34 15.755 -11.012 19.902 1.00 1.00 C ATOM 563 CD2 TYR A 34 15.708 -10.849 17.474 1.00 1.00 C ATOM 564 CE1 TYR A 34 16.146 -12.352 19.801 1.00 1.00 C ATOM 565 CE2 TYR A 34 16.103 -12.194 17.383 1.00 1.00 C ATOM 566 CZ TYR A 34 16.321 -12.941 18.545 1.00 1.00 C ATOM 567 OH TYR A 34 16.705 -14.263 18.454 1.00 1.00 O ATOM 0 H TYR A 34 13.667 -9.133 16.904 1.00 1.00 H new ATOM 0 HA TYR A 34 13.182 -9.373 19.721 1.00 1.00 H new ATOM 0 HB2 TYR A 34 15.441 -8.215 17.992 1.00 1.00 H new ATOM 0 HB3 TYR A 34 15.545 -8.326 19.738 1.00 1.00 H new ATOM 0 HD1 TYR A 34 15.624 -10.561 20.875 1.00 1.00 H new ATOM 0 HD2 TYR A 34 15.539 -10.274 16.575 1.00 1.00 H new ATOM 0 HE1 TYR A 34 16.313 -12.933 20.696 1.00 1.00 H new ATOM 0 HE2 TYR A 34 16.239 -12.652 16.414 1.00 1.00 H new ATOM 0 HH TYR A 34 16.781 -14.517 17.511 1.00 1.00 H new ATOM 577 N PRO A 35 12.962 -6.952 20.614 1.00 1.00 N ATOM 578 CA PRO A 35 12.562 -5.568 21.045 1.00 1.00 C ATOM 579 C PRO A 35 13.704 -4.550 20.842 1.00 1.00 C ATOM 580 O PRO A 35 13.458 -3.351 20.718 1.00 1.00 O ATOM 581 CB PRO A 35 12.194 -5.745 22.549 1.00 1.00 C ATOM 582 CG PRO A 35 13.084 -6.870 23.003 1.00 1.00 C ATOM 583 CD PRO A 35 13.127 -7.843 21.802 1.00 1.00 C ATOM 0 HA PRO A 35 11.736 -5.166 20.458 1.00 1.00 H new ATOM 0 HB2 PRO A 35 12.380 -4.833 23.117 1.00 1.00 H new ATOM 0 HB3 PRO A 35 11.140 -5.991 22.677 1.00 1.00 H new ATOM 0 HG2 PRO A 35 14.081 -6.509 23.257 1.00 1.00 H new ATOM 0 HG3 PRO A 35 12.685 -7.356 23.893 1.00 1.00 H new ATOM 0 HD2 PRO A 35 14.069 -8.390 21.764 1.00 1.00 H new ATOM 0 HD3 PRO A 35 12.330 -8.585 21.859 1.00 1.00 H new ATOM 591 N GLU A 36 14.943 -5.034 20.840 1.00 1.00 N ATOM 592 CA GLU A 36 16.122 -4.158 20.673 1.00 1.00 C ATOM 593 C GLU A 36 16.105 -3.457 19.291 1.00 1.00 C ATOM 594 O GLU A 36 16.425 -2.275 19.171 1.00 1.00 O ATOM 595 CB GLU A 36 17.423 -5.008 20.878 1.00 1.00 C ATOM 596 CG GLU A 36 17.766 -5.855 19.616 1.00 1.00 C ATOM 597 CD GLU A 36 18.787 -6.953 19.936 1.00 1.00 C ATOM 598 OE1 GLU A 36 19.820 -6.627 20.493 1.00 1.00 O ATOM 599 OE2 GLU A 36 18.516 -8.101 19.620 1.00 1.00 O ATOM 0 H GLU A 36 15.167 -6.023 20.951 1.00 1.00 H new ATOM 0 HA GLU A 36 16.097 -3.368 21.423 1.00 1.00 H new ATOM 0 HB2 GLU A 36 18.257 -4.346 21.109 1.00 1.00 H new ATOM 0 HB3 GLU A 36 17.294 -5.669 21.735 1.00 1.00 H new ATOM 0 HG2 GLU A 36 16.856 -6.307 19.222 1.00 1.00 H new ATOM 0 HG3 GLU A 36 18.162 -5.204 18.837 1.00 1.00 H new ATOM 606 N ILE A 37 15.732 -4.198 18.253 1.00 1.00 N ATOM 607 CA ILE A 37 15.680 -3.616 16.877 1.00 1.00 C ATOM 608 C ILE A 37 14.332 -2.910 16.647 1.00 1.00 C ATOM 609 O ILE A 37 14.258 -1.897 15.953 1.00 1.00 O ATOM 610 CB ILE A 37 15.947 -4.703 15.781 1.00 1.00 C ATOM 611 CG1 ILE A 37 14.823 -5.791 15.805 1.00 1.00 C ATOM 612 CG2 ILE A 37 17.351 -5.365 15.992 1.00 1.00 C ATOM 613 CD1 ILE A 37 15.156 -6.977 14.867 1.00 1.00 C ATOM 0 H ILE A 37 15.464 -5.180 18.313 1.00 1.00 H new ATOM 0 HA ILE A 37 16.475 -2.875 16.792 1.00 1.00 H new ATOM 0 HB ILE A 37 15.939 -4.216 14.806 1.00 1.00 H new ATOM 0 HG12 ILE A 37 14.693 -6.157 16.823 1.00 1.00 H new ATOM 0 HG13 ILE A 37 13.876 -5.343 15.504 1.00 1.00 H new ATOM 0 HG21 ILE A 37 17.518 -6.117 15.221 1.00 1.00 H new ATOM 0 HG22 ILE A 37 18.126 -4.602 15.928 1.00 1.00 H new ATOM 0 HG23 ILE A 37 17.387 -5.837 16.974 1.00 1.00 H new ATOM 0 HD11 ILE A 37 14.352 -7.712 14.911 1.00 1.00 H new ATOM 0 HD12 ILE A 37 15.261 -6.614 13.845 1.00 1.00 H new ATOM 0 HD13 ILE A 37 16.090 -7.441 15.185 1.00 1.00 H new ATOM 625 N LEU A 38 13.269 -3.451 17.233 1.00 1.00 N ATOM 626 CA LEU A 38 11.919 -2.833 17.079 1.00 1.00 C ATOM 627 C LEU A 38 11.878 -1.471 17.796 1.00 1.00 C ATOM 628 O LEU A 38 11.234 -0.530 17.333 1.00 1.00 O ATOM 629 CB LEU A 38 10.820 -3.762 17.639 1.00 1.00 C ATOM 630 CG LEU A 38 10.645 -5.064 16.765 1.00 1.00 C ATOM 631 CD1 LEU A 38 9.864 -6.129 17.574 1.00 1.00 C ATOM 632 CD2 LEU A 38 9.858 -4.770 15.449 1.00 1.00 C ATOM 0 H LEU A 38 13.293 -4.293 17.808 1.00 1.00 H new ATOM 0 HA LEU A 38 11.730 -2.683 16.016 1.00 1.00 H new ATOM 0 HB2 LEU A 38 11.069 -4.043 18.662 1.00 1.00 H new ATOM 0 HB3 LEU A 38 9.874 -3.222 17.678 1.00 1.00 H new ATOM 0 HG LEU A 38 11.640 -5.425 16.506 1.00 1.00 H new ATOM 0 HD11 LEU A 38 9.743 -7.028 16.970 1.00 1.00 H new ATOM 0 HD12 LEU A 38 10.416 -6.373 18.482 1.00 1.00 H new ATOM 0 HD13 LEU A 38 8.883 -5.736 17.840 1.00 1.00 H new ATOM 0 HD21 LEU A 38 9.757 -5.690 14.873 1.00 1.00 H new ATOM 0 HD22 LEU A 38 8.868 -4.385 15.695 1.00 1.00 H new ATOM 0 HD23 LEU A 38 10.399 -4.030 14.859 1.00 1.00 H new ATOM 644 N ASN A 39 12.574 -1.375 18.926 1.00 1.00 N ATOM 645 CA ASN A 39 12.620 -0.126 19.713 1.00 1.00 C ATOM 646 C ASN A 39 13.551 0.873 19.036 1.00 1.00 C ATOM 647 O ASN A 39 13.574 2.053 19.386 1.00 1.00 O ATOM 648 CB ASN A 39 13.122 -0.422 21.142 1.00 1.00 C ATOM 649 CG ASN A 39 12.112 -1.279 21.907 1.00 1.00 C ATOM 650 OD1 ASN A 39 10.919 -1.263 21.596 1.00 1.00 O ATOM 651 ND2 ASN A 39 12.523 -2.035 22.886 1.00 1.00 N ATOM 0 H ASN A 39 13.116 -2.141 19.325 1.00 1.00 H new ATOM 0 HA ASN A 39 11.617 0.297 19.770 1.00 1.00 H new ATOM 0 HB2 ASN A 39 14.081 -0.937 21.096 1.00 1.00 H new ATOM 0 HB3 ASN A 39 13.288 0.514 21.675 1.00 1.00 H new ATOM 0 HD21 ASN A 39 11.857 -2.615 23.397 1.00 1.00 H new ATOM 0 HD22 ASN A 39 13.510 -2.047 23.141 1.00 1.00 H new ATOM 658 N ASN A 40 14.316 0.408 18.053 1.00 1.00 N ATOM 659 CA ASN A 40 15.263 1.252 17.305 1.00 1.00 C ATOM 660 C ASN A 40 14.680 1.605 15.935 1.00 1.00 C ATOM 661 O ASN A 40 14.901 2.706 15.434 1.00 1.00 O ATOM 662 CB ASN A 40 16.595 0.485 17.122 1.00 1.00 C ATOM 663 CG ASN A 40 17.651 1.370 16.447 1.00 1.00 C ATOM 664 OD1 ASN A 40 18.085 2.369 17.024 1.00 1.00 O ATOM 665 ND2 ASN A 40 18.090 1.065 15.255 1.00 1.00 N ATOM 0 H ASN A 40 14.302 -0.565 17.747 1.00 1.00 H new ATOM 0 HA ASN A 40 15.443 2.172 17.860 1.00 1.00 H new ATOM 0 HB2 ASN A 40 16.962 0.150 18.092 1.00 1.00 H new ATOM 0 HB3 ASN A 40 16.425 -0.408 16.520 1.00 1.00 H new ATOM 0 HD21 ASN A 40 18.791 1.653 14.804 1.00 1.00 H new ATOM 0 HD22 ASN A 40 17.732 0.239 14.776 1.00 1.00 H new ATOM 672 N LEU A 41 13.950 0.676 15.325 1.00 1.00 N ATOM 673 CA LEU A 41 13.352 0.876 14.000 1.00 1.00 C ATOM 674 C LEU A 41 12.347 2.043 14.057 1.00 1.00 C ATOM 675 O LEU A 41 11.623 2.225 15.034 1.00 1.00 O ATOM 676 CB LEU A 41 12.656 -0.462 13.493 1.00 1.00 C ATOM 677 CG LEU A 41 13.022 -0.799 12.016 1.00 1.00 C ATOM 678 CD1 LEU A 41 12.378 -2.141 11.599 1.00 1.00 C ATOM 679 CD2 LEU A 41 12.545 0.331 11.077 1.00 1.00 C ATOM 0 H LEU A 41 13.754 -0.239 15.732 1.00 1.00 H new ATOM 0 HA LEU A 41 14.136 1.129 13.286 1.00 1.00 H new ATOM 0 HB2 LEU A 41 12.954 -1.290 14.136 1.00 1.00 H new ATOM 0 HB3 LEU A 41 11.574 -0.362 13.583 1.00 1.00 H new ATOM 0 HG LEU A 41 14.105 -0.889 11.937 1.00 1.00 H new ATOM 0 HD11 LEU A 41 12.641 -2.365 10.565 1.00 1.00 H new ATOM 0 HD12 LEU A 41 12.744 -2.937 12.247 1.00 1.00 H new ATOM 0 HD13 LEU A 41 11.294 -2.068 11.690 1.00 1.00 H new ATOM 0 HD21 LEU A 41 12.807 0.084 10.048 1.00 1.00 H new ATOM 0 HD22 LEU A 41 11.464 0.441 11.160 1.00 1.00 H new ATOM 0 HD23 LEU A 41 13.028 1.267 11.359 1.00 1.00 H new ATOM 691 N THR A 42 12.313 2.848 12.999 1.00 1.00 N ATOM 692 CA THR A 42 11.385 4.010 12.920 1.00 1.00 C ATOM 693 C THR A 42 10.493 3.876 11.691 1.00 1.00 C ATOM 694 O THR A 42 10.896 3.356 10.652 1.00 1.00 O ATOM 695 CB THR A 42 12.178 5.332 12.843 1.00 1.00 C ATOM 696 OG1 THR A 42 11.276 6.396 12.576 1.00 1.00 O ATOM 697 CG2 THR A 42 13.233 5.269 11.728 1.00 1.00 C ATOM 0 H THR A 42 12.908 2.732 12.179 1.00 1.00 H new ATOM 0 HA THR A 42 10.768 4.023 13.818 1.00 1.00 H new ATOM 0 HB THR A 42 12.686 5.495 13.793 1.00 1.00 H new ATOM 0 HG1 THR A 42 11.771 7.240 12.527 1.00 1.00 H new ATOM 0 HG21 THR A 42 13.780 6.211 11.691 1.00 1.00 H new ATOM 0 HG22 THR A 42 13.927 4.453 11.930 1.00 1.00 H new ATOM 0 HG23 THR A 42 12.741 5.098 10.771 1.00 1.00 H new ATOM 705 N LYS A 43 9.257 4.350 11.815 1.00 1.00 N ATOM 706 CA LYS A 43 8.285 4.273 10.728 1.00 1.00 C ATOM 707 C LYS A 43 8.846 4.880 9.428 1.00 1.00 C ATOM 708 O LYS A 43 8.601 4.361 8.339 1.00 1.00 O ATOM 709 CB LYS A 43 7.020 5.035 11.154 1.00 1.00 C ATOM 710 CG LYS A 43 6.385 4.365 12.396 1.00 1.00 C ATOM 711 CD LYS A 43 5.148 5.170 12.847 1.00 1.00 C ATOM 712 CE LYS A 43 4.486 4.500 14.061 1.00 1.00 C ATOM 713 NZ LYS A 43 5.448 4.478 15.197 1.00 1.00 N ATOM 0 H LYS A 43 8.903 4.794 12.662 1.00 1.00 H new ATOM 0 HA LYS A 43 8.055 3.226 10.531 1.00 1.00 H new ATOM 0 HB2 LYS A 43 7.270 6.072 11.379 1.00 1.00 H new ATOM 0 HB3 LYS A 43 6.303 5.051 10.334 1.00 1.00 H new ATOM 0 HG2 LYS A 43 6.098 3.340 12.161 1.00 1.00 H new ATOM 0 HG3 LYS A 43 7.113 4.315 13.206 1.00 1.00 H new ATOM 0 HD2 LYS A 43 5.442 6.188 13.101 1.00 1.00 H new ATOM 0 HD3 LYS A 43 4.433 5.240 12.027 1.00 1.00 H new ATOM 0 HE2 LYS A 43 3.584 5.043 14.344 1.00 1.00 H new ATOM 0 HE3 LYS A 43 4.180 3.485 13.809 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 4.932 4.316 16.086 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 6.138 3.713 15.053 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 5.947 5.389 15.247 1.00 1.00 H new ATOM 727 N GLU A 44 9.588 5.976 9.537 1.00 1.00 N ATOM 728 CA GLU A 44 10.176 6.652 8.374 1.00 1.00 C ATOM 729 C GLU A 44 11.074 5.702 7.565 1.00 1.00 C ATOM 730 O GLU A 44 11.320 5.923 6.378 1.00 1.00 O ATOM 731 CB GLU A 44 11.003 7.866 8.854 1.00 1.00 C ATOM 732 CG GLU A 44 10.106 8.835 9.650 1.00 1.00 C ATOM 733 CD GLU A 44 10.917 10.044 10.111 1.00 1.00 C ATOM 734 OE1 GLU A 44 11.534 9.952 11.159 1.00 1.00 O ATOM 735 OE2 GLU A 44 10.913 11.040 9.407 1.00 1.00 O ATOM 0 H GLU A 44 9.802 6.424 10.428 1.00 1.00 H new ATOM 0 HA GLU A 44 9.366 6.982 7.724 1.00 1.00 H new ATOM 0 HB2 GLU A 44 11.831 7.529 9.478 1.00 1.00 H new ATOM 0 HB3 GLU A 44 11.438 8.381 7.998 1.00 1.00 H new ATOM 0 HG2 GLU A 44 9.271 9.162 9.030 1.00 1.00 H new ATOM 0 HG3 GLU A 44 9.680 8.323 10.513 1.00 1.00 H new ATOM 742 N GLN A 45 11.558 4.639 8.196 1.00 1.00 N ATOM 743 CA GLN A 45 12.437 3.657 7.524 1.00 1.00 C ATOM 744 C GLN A 45 11.631 2.696 6.647 1.00 1.00 C ATOM 745 O GLN A 45 12.050 2.368 5.537 1.00 1.00 O ATOM 746 CB GLN A 45 13.237 2.873 8.579 1.00 1.00 C ATOM 747 CG GLN A 45 14.315 1.975 7.918 1.00 1.00 C ATOM 748 CD GLN A 45 15.113 1.217 8.985 1.00 1.00 C ATOM 749 OE1 GLN A 45 14.825 0.060 9.272 1.00 1.00 O ATOM 750 NE2 GLN A 45 16.106 1.804 9.591 1.00 1.00 N ATOM 0 H GLN A 45 11.363 4.424 9.174 1.00 1.00 H new ATOM 0 HA GLN A 45 13.125 4.199 6.875 1.00 1.00 H new ATOM 0 HB2 GLN A 45 13.714 3.570 9.268 1.00 1.00 H new ATOM 0 HB3 GLN A 45 12.559 2.256 9.168 1.00 1.00 H new ATOM 0 HG2 GLN A 45 13.840 1.266 7.240 1.00 1.00 H new ATOM 0 HG3 GLN A 45 14.989 2.587 7.319 1.00 1.00 H new ATOM 0 HE21 GLN A 45 16.350 2.766 9.356 1.00 1.00 H new ATOM 0 HE22 GLN A 45 16.640 1.301 10.300 1.00 1.00 H new ATOM 759 N ILE A 46 10.470 2.258 7.124 1.00 1.00 N ATOM 760 CA ILE A 46 9.626 1.312 6.381 1.00 1.00 C ATOM 761 C ILE A 46 9.172 1.939 5.046 1.00 1.00 C ATOM 762 O ILE A 46 8.628 3.042 5.014 1.00 1.00 O ATOM 763 CB ILE A 46 8.379 0.902 7.237 1.00 1.00 C ATOM 764 CG1 ILE A 46 8.765 0.652 8.731 1.00 1.00 C ATOM 765 CG2 ILE A 46 7.714 -0.370 6.643 1.00 1.00 C ATOM 766 CD1 ILE A 46 9.819 -0.447 8.898 1.00 1.00 C ATOM 0 H ILE A 46 10.086 2.541 8.025 1.00 1.00 H new ATOM 0 HA ILE A 46 10.211 0.417 6.169 1.00 1.00 H new ATOM 0 HB ILE A 46 7.670 1.729 7.206 1.00 1.00 H new ATOM 0 HG12 ILE A 46 9.142 1.579 9.164 1.00 1.00 H new ATOM 0 HG13 ILE A 46 7.871 0.379 9.291 1.00 1.00 H new ATOM 0 HG21 ILE A 46 6.849 -0.644 7.247 1.00 1.00 H new ATOM 0 HG22 ILE A 46 7.394 -0.169 5.621 1.00 1.00 H new ATOM 0 HG23 ILE A 46 8.432 -1.190 6.644 1.00 1.00 H new ATOM 0 HD11 ILE A 46 10.046 -0.575 9.956 1.00 1.00 H new ATOM 0 HD12 ILE A 46 9.435 -1.384 8.493 1.00 1.00 H new ATOM 0 HD13 ILE A 46 10.726 -0.165 8.364 1.00 1.00 H new ATOM 778 N SER A 47 9.403 1.231 3.945 1.00 1.00 N ATOM 779 CA SER A 47 9.033 1.711 2.584 1.00 1.00 C ATOM 780 C SER A 47 7.882 0.857 2.037 1.00 1.00 C ATOM 781 O SER A 47 8.059 -0.313 1.697 1.00 1.00 O ATOM 782 CB SER A 47 10.289 1.641 1.647 1.00 1.00 C ATOM 783 OG SER A 47 10.616 2.949 1.171 1.00 1.00 O ATOM 0 H SER A 47 9.848 0.313 3.952 1.00 1.00 H new ATOM 0 HA SER A 47 8.698 2.747 2.629 1.00 1.00 H new ATOM 0 HB2 SER A 47 11.135 1.220 2.190 1.00 1.00 H new ATOM 0 HB3 SER A 47 10.089 0.978 0.805 1.00 1.00 H new ATOM 0 HG SER A 47 11.402 2.898 0.588 1.00 1.00 H new ATOM 789 N LEU A 48 6.697 1.452 1.940 1.00 1.00 N ATOM 790 CA LEU A 48 5.495 0.749 1.440 1.00 1.00 C ATOM 791 C LEU A 48 4.881 1.516 0.280 1.00 1.00 C ATOM 792 O LEU A 48 4.710 2.734 0.333 1.00 1.00 O ATOM 793 CB LEU A 48 4.442 0.637 2.584 1.00 1.00 C ATOM 794 CG LEU A 48 5.060 0.027 3.874 1.00 1.00 C ATOM 795 CD1 LEU A 48 4.020 0.064 5.020 1.00 1.00 C ATOM 796 CD2 LEU A 48 5.513 -1.443 3.663 1.00 1.00 C ATOM 0 H LEU A 48 6.532 2.424 2.200 1.00 1.00 H new ATOM 0 HA LEU A 48 5.787 -0.245 1.102 1.00 1.00 H new ATOM 0 HB2 LEU A 48 4.038 1.625 2.805 1.00 1.00 H new ATOM 0 HB3 LEU A 48 3.608 0.019 2.252 1.00 1.00 H new ATOM 0 HG LEU A 48 5.936 0.625 4.128 1.00 1.00 H new ATOM 0 HD11 LEU A 48 4.457 -0.364 5.922 1.00 1.00 H new ATOM 0 HD12 LEU A 48 3.728 1.096 5.213 1.00 1.00 H new ATOM 0 HD13 LEU A 48 3.141 -0.514 4.733 1.00 1.00 H new ATOM 0 HD21 LEU A 48 5.938 -1.829 4.589 1.00 1.00 H new ATOM 0 HD22 LEU A 48 4.655 -2.051 3.377 1.00 1.00 H new ATOM 0 HD23 LEU A 48 6.264 -1.483 2.874 1.00 1.00 H new ATOM 808 N TRP A 49 4.515 0.790 -0.772 1.00 1.00 N ATOM 809 CA TRP A 49 3.890 1.393 -1.946 1.00 1.00 C ATOM 810 C TRP A 49 3.134 0.319 -2.713 1.00 1.00 C ATOM 811 O TRP A 49 3.100 -0.845 -2.319 1.00 1.00 O ATOM 812 CB TRP A 49 4.952 2.099 -2.853 1.00 1.00 C ATOM 813 CG TRP A 49 5.734 1.124 -3.696 1.00 1.00 C ATOM 814 CD1 TRP A 49 5.370 0.678 -4.923 1.00 1.00 C ATOM 815 CD2 TRP A 49 7.006 0.497 -3.398 1.00 1.00 C ATOM 816 NE1 TRP A 49 6.327 -0.197 -5.385 1.00 1.00 N ATOM 817 CE2 TRP A 49 7.358 -0.345 -4.480 1.00 1.00 C ATOM 818 CE3 TRP A 49 7.876 0.572 -2.302 1.00 1.00 C ATOM 819 CZ2 TRP A 49 8.534 -1.089 -4.472 1.00 1.00 C ATOM 820 CZ3 TRP A 49 9.062 -0.171 -2.291 1.00 1.00 C ATOM 821 CH2 TRP A 49 9.393 -1.002 -3.374 1.00 1.00 C ATOM 0 H TRP A 49 4.641 -0.220 -0.836 1.00 1.00 H new ATOM 0 HA TRP A 49 3.188 2.162 -1.624 1.00 1.00 H new ATOM 0 HB2 TRP A 49 4.450 2.815 -3.504 1.00 1.00 H new ATOM 0 HB3 TRP A 49 5.641 2.666 -2.226 1.00 1.00 H new ATOM 0 HD1 TRP A 49 4.473 0.963 -5.453 1.00 1.00 H new ATOM 0 HE1 TRP A 49 6.280 -0.676 -6.284 1.00 1.00 H new ATOM 0 HE3 TRP A 49 7.630 1.206 -1.463 1.00 1.00 H new ATOM 0 HZ2 TRP A 49 8.780 -1.728 -5.307 1.00 1.00 H new ATOM 0 HZ3 TRP A 49 9.728 -0.105 -1.443 1.00 1.00 H new ATOM 0 HH2 TRP A 49 10.310 -1.573 -3.358 1.00 1.00 H new ATOM 832 N ILE A 50 2.531 0.708 -3.832 1.00 1.00 N ATOM 833 CA ILE A 50 1.764 -0.231 -4.675 1.00 1.00 C ATOM 834 C ILE A 50 1.994 0.097 -6.148 1.00 1.00 C ATOM 835 O ILE A 50 2.105 1.257 -6.545 1.00 1.00 O ATOM 836 CB ILE A 50 0.248 -0.139 -4.352 1.00 1.00 C ATOM 837 CG1 ILE A 50 0.033 -0.292 -2.814 1.00 1.00 C ATOM 838 CG2 ILE A 50 -0.532 -1.259 -5.102 1.00 1.00 C ATOM 839 CD1 ILE A 50 -1.443 -0.173 -2.429 1.00 1.00 C ATOM 0 H ILE A 50 2.553 1.665 -4.184 1.00 1.00 H new ATOM 0 HA ILE A 50 2.105 -1.245 -4.468 1.00 1.00 H new ATOM 0 HB ILE A 50 -0.126 0.831 -4.680 1.00 1.00 H new ATOM 0 HG12 ILE A 50 0.416 -1.259 -2.488 1.00 1.00 H new ATOM 0 HG13 ILE A 50 0.608 0.471 -2.289 1.00 1.00 H new ATOM 0 HG21 ILE A 50 -1.594 -1.183 -4.867 1.00 1.00 H new ATOM 0 HG22 ILE A 50 -0.389 -1.145 -6.177 1.00 1.00 H new ATOM 0 HG23 ILE A 50 -0.160 -2.234 -4.788 1.00 1.00 H new ATOM 0 HD11 ILE A 50 -1.548 -0.285 -1.350 1.00 1.00 H new ATOM 0 HD12 ILE A 50 -1.820 0.804 -2.730 1.00 1.00 H new ATOM 0 HD13 ILE A 50 -2.014 -0.953 -2.932 1.00 1.00 H new ATOM 851 N ASP A 51 2.051 -0.947 -6.968 1.00 1.00 N ATOM 852 CA ASP A 51 2.269 -0.796 -8.415 1.00 1.00 C ATOM 853 C ASP A 51 0.934 -0.828 -9.174 1.00 1.00 C ATOM 854 O ASP A 51 0.322 -1.884 -9.341 1.00 1.00 O ATOM 855 CB ASP A 51 3.206 -1.937 -8.893 1.00 1.00 C ATOM 856 CG ASP A 51 3.738 -1.672 -10.306 1.00 1.00 C ATOM 857 OD1 ASP A 51 3.306 -0.708 -10.918 1.00 1.00 O ATOM 858 OD2 ASP A 51 4.577 -2.435 -10.751 1.00 1.00 O ATOM 0 H ASP A 51 1.950 -1.914 -6.660 1.00 1.00 H new ATOM 0 HA ASP A 51 2.734 0.169 -8.619 1.00 1.00 H new ATOM 0 HB2 ASP A 51 4.042 -2.037 -8.201 1.00 1.00 H new ATOM 0 HB3 ASP A 51 2.666 -2.883 -8.878 1.00 1.00 H new ATOM 863 N ALA A 52 0.489 0.336 -9.635 1.00 1.00 N ATOM 864 CA ALA A 52 -0.776 0.446 -10.393 1.00 1.00 C ATOM 865 C ALA A 52 -0.521 0.213 -11.885 1.00 1.00 C ATOM 866 O ALA A 52 -1.463 0.265 -12.677 1.00 1.00 O ATOM 867 CB ALA A 52 -1.438 1.833 -10.160 1.00 1.00 C ATOM 0 H ALA A 52 0.977 1.222 -9.503 1.00 1.00 H new ATOM 0 HA ALA A 52 -1.462 -0.321 -10.034 1.00 1.00 H new ATOM 0 HB1 ALA A 52 -2.367 1.893 -10.727 1.00 1.00 H new ATOM 0 HB2 ALA A 52 -1.652 1.961 -9.099 1.00 1.00 H new ATOM 0 HB3 ALA A 52 -0.760 2.620 -10.491 1.00 1.00 H new ATOM 873 N THR A 53 0.720 -0.049 -12.276 1.00 1.00 N ATOM 874 CA THR A 53 1.056 -0.305 -13.678 1.00 1.00 C ATOM 875 C THR A 53 0.354 -1.579 -14.142 1.00 1.00 C ATOM 876 O THR A 53 0.031 -2.451 -13.337 1.00 1.00 O ATOM 877 CB THR A 53 2.606 -0.430 -13.851 1.00 1.00 C ATOM 878 OG1 THR A 53 2.947 -0.109 -15.195 1.00 1.00 O ATOM 879 CG2 THR A 53 3.126 -1.867 -13.539 1.00 1.00 C ATOM 0 H THR A 53 1.517 -0.091 -11.641 1.00 1.00 H new ATOM 0 HA THR A 53 0.716 0.530 -14.291 1.00 1.00 H new ATOM 0 HB THR A 53 3.072 0.257 -13.144 1.00 1.00 H new ATOM 0 HG1 THR A 53 3.917 -0.183 -15.313 1.00 1.00 H new ATOM 0 HG21 THR A 53 4.207 -1.900 -13.674 1.00 1.00 H new ATOM 0 HG22 THR A 53 2.881 -2.127 -12.509 1.00 1.00 H new ATOM 0 HG23 THR A 53 2.654 -2.580 -14.215 1.00 1.00 H new ATOM 887 N GLY A 54 0.142 -1.703 -15.448 1.00 1.00 N ATOM 888 CA GLY A 54 -0.541 -2.878 -16.018 1.00 1.00 C ATOM 889 C GLY A 54 -2.002 -2.992 -15.505 1.00 1.00 C ATOM 890 O GLY A 54 -2.926 -3.254 -16.277 1.00 1.00 O ATOM 0 H GLY A 54 0.430 -1.009 -16.138 1.00 1.00 H new ATOM 0 HA2 GLY A 54 -0.541 -2.808 -17.106 1.00 1.00 H new ATOM 0 HA3 GLY A 54 0.009 -3.782 -15.757 1.00 1.00 H new ATOM 894 N LYS A 55 -2.186 -2.801 -14.203 1.00 1.00 N ATOM 895 CA LYS A 55 -3.517 -2.896 -13.581 1.00 1.00 C ATOM 896 C LYS A 55 -4.538 -2.035 -14.356 1.00 1.00 C ATOM 897 O LYS A 55 -4.249 -0.929 -14.815 1.00 1.00 O ATOM 898 CB LYS A 55 -3.470 -2.448 -12.072 1.00 1.00 C ATOM 899 CG LYS A 55 -3.019 -3.598 -11.119 1.00 1.00 C ATOM 900 CD LYS A 55 -1.535 -3.964 -11.352 1.00 1.00 C ATOM 901 CE LYS A 55 -1.108 -5.090 -10.390 1.00 1.00 C ATOM 902 NZ LYS A 55 -1.269 -4.630 -8.979 1.00 1.00 N ATOM 0 H LYS A 55 -1.434 -2.579 -13.551 1.00 1.00 H new ATOM 0 HA LYS A 55 -3.831 -3.939 -13.620 1.00 1.00 H new ATOM 0 HB2 LYS A 55 -2.786 -1.606 -11.968 1.00 1.00 H new ATOM 0 HB3 LYS A 55 -4.457 -2.097 -11.770 1.00 1.00 H new ATOM 0 HG2 LYS A 55 -3.163 -3.293 -10.082 1.00 1.00 H new ATOM 0 HG3 LYS A 55 -3.643 -4.476 -11.283 1.00 1.00 H new ATOM 0 HD2 LYS A 55 -1.389 -4.283 -12.384 1.00 1.00 H new ATOM 0 HD3 LYS A 55 -0.908 -3.086 -11.198 1.00 1.00 H new ATOM 0 HE2 LYS A 55 -1.713 -5.980 -10.564 1.00 1.00 H new ATOM 0 HE3 LYS A 55 -0.071 -5.368 -10.577 1.00 1.00 H new ATOM 0 HZ1 LYS A 55 -0.797 -5.300 -8.339 1.00 1.00 H new ATOM 0 HZ2 LYS A 55 -0.842 -3.688 -8.870 1.00 1.00 H new ATOM 0 HZ3 LYS A 55 -2.281 -4.581 -8.743 1.00 1.00 H new ATOM 916 N ALA A 56 -5.743 -2.577 -14.496 1.00 1.00 N ATOM 917 CA ALA A 56 -6.843 -1.903 -15.209 1.00 1.00 C ATOM 918 C ALA A 56 -7.858 -1.382 -14.209 1.00 1.00 C ATOM 919 O ALA A 56 -7.786 -1.652 -13.009 1.00 1.00 O ATOM 920 CB ALA A 56 -7.515 -2.904 -16.164 1.00 1.00 C ATOM 0 H ALA A 56 -5.993 -3.493 -14.123 1.00 1.00 H new ATOM 0 HA ALA A 56 -6.448 -1.064 -15.782 1.00 1.00 H new ATOM 0 HB1 ALA A 56 -8.330 -2.410 -16.694 1.00 1.00 H new ATOM 0 HB2 ALA A 56 -6.782 -3.269 -16.884 1.00 1.00 H new ATOM 0 HB3 ALA A 56 -7.910 -3.743 -15.592 1.00 1.00 H new ATOM 926 N VAL A 57 -8.827 -0.625 -14.710 1.00 1.00 N ATOM 927 CA VAL A 57 -9.878 -0.050 -13.899 1.00 1.00 C ATOM 928 C VAL A 57 -10.690 -1.167 -13.228 1.00 1.00 C ATOM 929 O VAL A 57 -10.901 -2.241 -13.792 1.00 1.00 O ATOM 930 CB VAL A 57 -10.792 0.847 -14.788 1.00 1.00 C ATOM 931 CG1 VAL A 57 -11.741 1.679 -13.894 1.00 1.00 C ATOM 932 CG2 VAL A 57 -9.919 1.811 -15.637 1.00 1.00 C ATOM 0 H VAL A 57 -8.900 -0.395 -15.701 1.00 1.00 H new ATOM 0 HA VAL A 57 -9.440 0.570 -13.117 1.00 1.00 H new ATOM 0 HB VAL A 57 -11.378 0.207 -15.448 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -12.377 2.304 -14.521 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -12.363 1.009 -13.301 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -11.153 2.312 -13.229 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -10.563 2.435 -16.256 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -9.327 2.444 -14.976 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -9.253 1.231 -16.276 1.00 1.00 H new ATOM 942 N GLY A 58 -11.148 -0.909 -12.008 1.00 1.00 N ATOM 943 CA GLY A 58 -11.941 -1.877 -11.220 1.00 1.00 C ATOM 944 C GLY A 58 -11.233 -2.207 -9.917 1.00 1.00 C ATOM 945 O GLY A 58 -10.098 -1.793 -9.687 1.00 1.00 O ATOM 0 H GLY A 58 -10.986 -0.024 -11.527 1.00 1.00 H new ATOM 0 HA2 GLY A 58 -12.927 -1.463 -11.010 1.00 1.00 H new ATOM 0 HA3 GLY A 58 -12.094 -2.788 -11.799 1.00 1.00 H new ATOM 949 N GLU A 59 -11.925 -2.945 -9.053 1.00 1.00 N ATOM 950 CA GLU A 59 -11.379 -3.332 -7.734 1.00 1.00 C ATOM 951 C GLU A 59 -10.710 -4.724 -7.758 1.00 1.00 C ATOM 952 O GLU A 59 -11.288 -5.709 -8.213 1.00 1.00 O ATOM 953 CB GLU A 59 -12.515 -3.283 -6.676 1.00 1.00 C ATOM 954 CG GLU A 59 -13.693 -4.199 -7.080 1.00 1.00 C ATOM 955 CD GLU A 59 -14.826 -4.092 -6.054 1.00 1.00 C ATOM 956 OE1 GLU A 59 -15.056 -2.994 -5.575 1.00 1.00 O ATOM 957 OE2 GLU A 59 -15.442 -5.107 -5.765 1.00 1.00 O ATOM 0 H GLU A 59 -12.867 -3.292 -9.233 1.00 1.00 H new ATOM 0 HA GLU A 59 -10.597 -2.620 -7.469 1.00 1.00 H new ATOM 0 HB2 GLU A 59 -12.126 -3.592 -5.706 1.00 1.00 H new ATOM 0 HB3 GLU A 59 -12.869 -2.258 -6.565 1.00 1.00 H new ATOM 0 HG2 GLU A 59 -14.059 -3.918 -8.067 1.00 1.00 H new ATOM 0 HG3 GLU A 59 -13.352 -5.232 -7.149 1.00 1.00 H new ATOM 964 N HIS A 60 -9.482 -4.772 -7.250 1.00 1.00 N ATOM 965 CA HIS A 60 -8.710 -6.018 -7.179 1.00 1.00 C ATOM 966 C HIS A 60 -7.784 -6.013 -5.957 1.00 1.00 C ATOM 967 O HIS A 60 -7.316 -4.973 -5.495 1.00 1.00 O ATOM 968 CB HIS A 60 -7.890 -6.207 -8.480 1.00 1.00 C ATOM 969 CG HIS A 60 -7.235 -7.572 -8.503 1.00 1.00 C ATOM 970 ND1 HIS A 60 -5.887 -7.754 -8.243 1.00 1.00 N ATOM 971 CD2 HIS A 60 -7.743 -8.827 -8.746 1.00 1.00 C ATOM 972 CE1 HIS A 60 -5.629 -9.074 -8.337 1.00 1.00 C ATOM 973 NE2 HIS A 60 -6.726 -9.772 -8.642 1.00 1.00 N ATOM 0 H HIS A 60 -8.993 -3.958 -6.878 1.00 1.00 H new ATOM 0 HA HIS A 60 -9.404 -6.852 -7.075 1.00 1.00 H new ATOM 0 HB2 HIS A 60 -8.542 -6.096 -9.347 1.00 1.00 H new ATOM 0 HB3 HIS A 60 -7.128 -5.431 -8.552 1.00 1.00 H new ATOM 0 HD1 HIS A 60 -5.212 -7.022 -8.021 1.00 1.00 H new ATOM 0 HD2 HIS A 60 -8.774 -9.046 -8.982 1.00 1.00 H new ATOM 0 HE1 HIS A 60 -4.654 -9.513 -8.184 1.00 1.00 H new ATOM 982 N THR A 61 -7.497 -7.207 -5.447 1.00 1.00 N ATOM 983 CA THR A 61 -6.596 -7.375 -4.298 1.00 1.00 C ATOM 984 C THR A 61 -5.151 -7.303 -4.791 1.00 1.00 C ATOM 985 O THR A 61 -4.833 -7.797 -5.874 1.00 1.00 O ATOM 986 CB THR A 61 -6.866 -8.734 -3.608 1.00 1.00 C ATOM 987 OG1 THR A 61 -8.247 -8.823 -3.291 1.00 1.00 O ATOM 988 CG2 THR A 61 -6.046 -8.856 -2.312 1.00 1.00 C ATOM 0 H THR A 61 -7.876 -8.082 -5.810 1.00 1.00 H new ATOM 0 HA THR A 61 -6.771 -6.583 -3.570 1.00 1.00 H new ATOM 0 HB THR A 61 -6.576 -9.538 -4.285 1.00 1.00 H new ATOM 0 HG1 THR A 61 -8.428 -9.682 -2.855 1.00 1.00 H new ATOM 0 HG21 THR A 61 -6.250 -9.818 -1.842 1.00 1.00 H new ATOM 0 HG22 THR A 61 -4.984 -8.784 -2.545 1.00 1.00 H new ATOM 0 HG23 THR A 61 -6.323 -8.053 -1.629 1.00 1.00 H new ATOM 996 N VAL A 62 -4.269 -6.685 -4.010 1.00 1.00 N ATOM 997 CA VAL A 62 -2.845 -6.548 -4.407 1.00 1.00 C ATOM 998 C VAL A 62 -1.918 -6.678 -3.195 1.00 1.00 C ATOM 999 O VAL A 62 -2.277 -6.356 -2.063 1.00 1.00 O ATOM 1000 CB VAL A 62 -2.620 -5.175 -5.107 1.00 1.00 C ATOM 1001 CG1 VAL A 62 -3.379 -5.115 -6.464 1.00 1.00 C ATOM 1002 CG2 VAL A 62 -3.109 -4.033 -4.186 1.00 1.00 C ATOM 0 H VAL A 62 -4.498 -6.271 -3.106 1.00 1.00 H new ATOM 0 HA VAL A 62 -2.606 -7.352 -5.103 1.00 1.00 H new ATOM 0 HB VAL A 62 -1.554 -5.058 -5.301 1.00 1.00 H new ATOM 0 HG11 VAL A 62 -3.207 -4.147 -6.935 1.00 1.00 H new ATOM 0 HG12 VAL A 62 -3.016 -5.907 -7.119 1.00 1.00 H new ATOM 0 HG13 VAL A 62 -4.447 -5.249 -6.290 1.00 1.00 H new ATOM 0 HG21 VAL A 62 -2.950 -3.074 -4.679 1.00 1.00 H new ATOM 0 HG22 VAL A 62 -4.171 -4.162 -3.979 1.00 1.00 H new ATOM 0 HG23 VAL A 62 -2.551 -4.056 -3.250 1.00 1.00 H new ATOM 1012 N LYS A 63 -0.704 -7.153 -3.449 1.00 1.00 N ATOM 1013 CA LYS A 63 0.315 -7.343 -2.398 1.00 1.00 C ATOM 1014 C LYS A 63 1.340 -6.200 -2.422 1.00 1.00 C ATOM 1015 O LYS A 63 1.718 -5.662 -3.463 1.00 1.00 O ATOM 1016 CB LYS A 63 1.023 -8.701 -2.607 1.00 1.00 C ATOM 1017 CG LYS A 63 -0.003 -9.855 -2.472 1.00 1.00 C ATOM 1018 CD LYS A 63 0.697 -11.220 -2.640 1.00 1.00 C ATOM 1019 CE LYS A 63 -0.326 -12.358 -2.475 1.00 1.00 C ATOM 1020 NZ LYS A 63 -1.375 -12.226 -3.523 1.00 1.00 N ATOM 0 H LYS A 63 -0.389 -7.419 -4.382 1.00 1.00 H new ATOM 0 HA LYS A 63 -0.176 -7.337 -1.425 1.00 1.00 H new ATOM 0 HB2 LYS A 63 1.490 -8.730 -3.592 1.00 1.00 H new ATOM 0 HB3 LYS A 63 1.820 -8.823 -1.873 1.00 1.00 H new ATOM 0 HG2 LYS A 63 -0.489 -9.806 -1.498 1.00 1.00 H new ATOM 0 HG3 LYS A 63 -0.785 -9.745 -3.224 1.00 1.00 H new ATOM 0 HD2 LYS A 63 1.165 -11.280 -3.623 1.00 1.00 H new ATOM 0 HD3 LYS A 63 1.492 -11.324 -1.901 1.00 1.00 H new ATOM 0 HE2 LYS A 63 0.170 -13.325 -2.559 1.00 1.00 H new ATOM 0 HE3 LYS A 63 -0.778 -12.317 -1.484 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 -1.861 -13.137 -3.644 1.00 1.00 H new ATOM 0 HZ2 LYS A 63 -2.064 -11.501 -3.236 1.00 1.00 H new ATOM 0 HZ3 LYS A 63 -0.934 -11.947 -4.423 1.00 1.00 H new ATOM 1034 N ILE A 64 1.801 -5.824 -1.234 1.00 1.00 N ATOM 1035 CA ILE A 64 2.783 -4.728 -1.090 1.00 1.00 C ATOM 1036 C ILE A 64 4.176 -5.284 -1.417 1.00 1.00 C ATOM 1037 O ILE A 64 4.505 -6.403 -1.021 1.00 1.00 O ATOM 1038 CB ILE A 64 2.727 -4.145 0.364 1.00 1.00 C ATOM 1039 CG1 ILE A 64 1.252 -4.102 0.885 1.00 1.00 C ATOM 1040 CG2 ILE A 64 3.326 -2.711 0.394 1.00 1.00 C ATOM 1041 CD1 ILE A 64 0.310 -3.357 -0.076 1.00 1.00 C ATOM 0 H ILE A 64 1.518 -6.253 -0.353 1.00 1.00 H new ATOM 0 HA ILE A 64 2.552 -3.914 -1.777 1.00 1.00 H new ATOM 0 HB ILE A 64 3.314 -4.796 1.012 1.00 1.00 H new ATOM 0 HG12 ILE A 64 0.890 -5.120 1.027 1.00 1.00 H new ATOM 0 HG13 ILE A 64 1.229 -3.617 1.861 1.00 1.00 H new ATOM 0 HG21 ILE A 64 3.280 -2.319 1.410 1.00 1.00 H new ATOM 0 HG22 ILE A 64 4.364 -2.743 0.064 1.00 1.00 H new ATOM 0 HG23 ILE A 64 2.754 -2.064 -0.271 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -0.700 -3.356 0.333 1.00 1.00 H new ATOM 0 HD12 ILE A 64 0.653 -2.330 -0.198 1.00 1.00 H new ATOM 0 HD13 ILE A 64 0.309 -3.857 -1.045 1.00 1.00 H new ATOM 1053 N TYR A 65 5.004 -4.536 -2.137 1.00 1.00 N ATOM 1054 CA TYR A 65 6.352 -4.987 -2.516 1.00 1.00 C ATOM 1055 C TYR A 65 7.210 -5.240 -1.272 1.00 1.00 C ATOM 1056 O TYR A 65 8.166 -6.013 -1.307 1.00 1.00 O ATOM 1057 CB TYR A 65 7.011 -3.936 -3.435 1.00 1.00 C ATOM 1058 CG TYR A 65 8.358 -4.465 -3.962 1.00 1.00 C ATOM 1059 CD1 TYR A 65 9.535 -4.281 -3.209 1.00 1.00 C ATOM 1060 CD2 TYR A 65 8.425 -5.152 -5.191 1.00 1.00 C ATOM 1061 CE1 TYR A 65 10.759 -4.781 -3.684 1.00 1.00 C ATOM 1062 CE2 TYR A 65 9.650 -5.643 -5.659 1.00 1.00 C ATOM 1063 CZ TYR A 65 10.813 -5.459 -4.905 1.00 1.00 C ATOM 1064 OH TYR A 65 12.014 -5.954 -5.368 1.00 1.00 O ATOM 0 H TYR A 65 4.768 -3.603 -2.477 1.00 1.00 H new ATOM 0 HA TYR A 65 6.271 -5.929 -3.059 1.00 1.00 H new ATOM 0 HB2 TYR A 65 6.350 -3.706 -4.270 1.00 1.00 H new ATOM 0 HB3 TYR A 65 7.166 -3.007 -2.886 1.00 1.00 H new ATOM 0 HD1 TYR A 65 9.496 -3.755 -2.266 1.00 1.00 H new ATOM 0 HD2 TYR A 65 7.528 -5.300 -5.774 1.00 1.00 H new ATOM 0 HE1 TYR A 65 11.660 -4.641 -3.105 1.00 1.00 H new ATOM 0 HE2 TYR A 65 9.697 -6.165 -6.604 1.00 1.00 H new ATOM 0 HH TYR A 65 11.874 -6.398 -6.230 1.00 1.00 H new ATOM 1074 N TRP A 66 6.860 -4.586 -0.169 1.00 1.00 N ATOM 1075 CA TRP A 66 7.574 -4.742 1.108 1.00 1.00 C ATOM 1076 C TRP A 66 9.059 -4.296 0.982 1.00 1.00 C ATOM 1077 O TRP A 66 9.782 -4.771 0.105 1.00 1.00 O ATOM 1078 CB TRP A 66 7.458 -6.245 1.607 1.00 1.00 C ATOM 1079 CG TRP A 66 6.727 -6.341 2.924 1.00 1.00 C ATOM 1080 CD1 TRP A 66 7.226 -5.950 4.114 1.00 1.00 C ATOM 1081 CD2 TRP A 66 5.387 -6.850 3.191 1.00 1.00 C ATOM 1082 NE1 TRP A 66 6.283 -6.184 5.097 1.00 1.00 N ATOM 1083 CE2 TRP A 66 5.132 -6.739 4.577 1.00 1.00 C ATOM 1084 CE3 TRP A 66 4.376 -7.390 2.374 1.00 1.00 C ATOM 1085 CZ2 TRP A 66 3.923 -7.152 5.136 1.00 1.00 C ATOM 1086 CZ3 TRP A 66 3.154 -7.807 2.935 1.00 1.00 C ATOM 1087 CH2 TRP A 66 2.928 -7.686 4.314 1.00 1.00 C ATOM 0 H TRP A 66 6.077 -3.933 -0.128 1.00 1.00 H new ATOM 0 HA TRP A 66 7.110 -4.094 1.851 1.00 1.00 H new ATOM 0 HB2 TRP A 66 6.935 -6.838 0.857 1.00 1.00 H new ATOM 0 HB3 TRP A 66 8.456 -6.671 1.713 1.00 1.00 H new ATOM 0 HD1 TRP A 66 8.205 -5.523 4.273 1.00 1.00 H new ATOM 0 HE1 TRP A 66 6.421 -5.972 6.085 1.00 1.00 H new ATOM 0 HE3 TRP A 66 4.539 -7.485 1.311 1.00 1.00 H new ATOM 0 HZ2 TRP A 66 3.757 -7.059 6.199 1.00 1.00 H new ATOM 0 HZ3 TRP A 66 2.386 -8.223 2.300 1.00 1.00 H new ATOM 0 HH2 TRP A 66 1.988 -8.005 4.739 1.00 1.00 H new ATOM 1098 N GLN A 67 9.497 -3.404 1.864 1.00 1.00 N ATOM 1099 CA GLN A 67 10.899 -2.913 1.850 1.00 1.00 C ATOM 1100 C GLN A 67 11.308 -2.415 3.255 1.00 1.00 C ATOM 1101 O GLN A 67 10.980 -1.302 3.666 1.00 1.00 O ATOM 1102 CB GLN A 67 11.059 -1.767 0.782 1.00 1.00 C ATOM 1103 CG GLN A 67 11.850 -2.238 -0.473 1.00 1.00 C ATOM 1104 CD GLN A 67 13.316 -2.501 -0.114 1.00 1.00 C ATOM 1105 OE1 GLN A 67 13.727 -3.652 0.010 1.00 1.00 O ATOM 1106 NE2 GLN A 67 14.126 -1.494 0.073 1.00 1.00 N ATOM 0 H GLN A 67 8.917 -2.999 2.599 1.00 1.00 H new ATOM 0 HA GLN A 67 11.559 -3.736 1.575 1.00 1.00 H new ATOM 0 HB2 GLN A 67 10.073 -1.417 0.477 1.00 1.00 H new ATOM 0 HB3 GLN A 67 11.572 -0.919 1.236 1.00 1.00 H new ATOM 0 HG2 GLN A 67 11.399 -3.145 -0.875 1.00 1.00 H new ATOM 0 HG3 GLN A 67 11.791 -1.480 -1.254 1.00 1.00 H new ATOM 0 HE21 GLN A 67 13.784 -0.539 -0.030 1.00 1.00 H new ATOM 0 HE22 GLN A 67 15.101 -1.663 0.322 1.00 1.00 H new ATOM 1115 N LEU A 68 12.049 -3.250 3.975 1.00 1.00 N ATOM 1116 CA LEU A 68 12.520 -2.896 5.342 1.00 1.00 C ATOM 1117 C LEU A 68 13.926 -3.531 5.618 1.00 1.00 C ATOM 1118 O LEU A 68 14.076 -4.741 5.448 1.00 1.00 O ATOM 1119 CB LEU A 68 11.452 -3.319 6.435 1.00 1.00 C ATOM 1120 CG LEU A 68 10.473 -4.421 5.929 1.00 1.00 C ATOM 1121 CD1 LEU A 68 11.229 -5.743 5.637 1.00 1.00 C ATOM 1122 CD2 LEU A 68 9.371 -4.650 6.993 1.00 1.00 C ATOM 0 H LEU A 68 12.343 -4.172 3.654 1.00 1.00 H new ATOM 0 HA LEU A 68 12.630 -1.813 5.405 1.00 1.00 H new ATOM 0 HB2 LEU A 68 11.971 -3.681 7.323 1.00 1.00 H new ATOM 0 HB3 LEU A 68 10.880 -2.441 6.736 1.00 1.00 H new ATOM 0 HG LEU A 68 10.015 -4.089 4.997 1.00 1.00 H new ATOM 0 HD11 LEU A 68 10.523 -6.496 5.285 1.00 1.00 H new ATOM 0 HD12 LEU A 68 11.985 -5.568 4.871 1.00 1.00 H new ATOM 0 HD13 LEU A 68 11.711 -6.096 6.549 1.00 1.00 H new ATOM 0 HD21 LEU A 68 8.683 -5.420 6.644 1.00 1.00 H new ATOM 0 HD22 LEU A 68 9.830 -4.970 7.929 1.00 1.00 H new ATOM 0 HD23 LEU A 68 8.824 -3.721 7.156 1.00 1.00 H new ATOM 1134 N PRO A 69 14.912 -2.781 6.035 1.00 1.00 N ATOM 1135 CA PRO A 69 16.283 -3.350 6.293 1.00 1.00 C ATOM 1136 C PRO A 69 16.390 -3.961 7.698 1.00 1.00 C ATOM 1137 O PRO A 69 16.795 -3.302 8.656 1.00 1.00 O ATOM 1138 CB PRO A 69 17.186 -2.113 6.128 1.00 1.00 C ATOM 1139 CG PRO A 69 16.383 -1.016 6.766 1.00 1.00 C ATOM 1140 CD PRO A 69 14.913 -1.322 6.356 1.00 1.00 C ATOM 0 HA PRO A 69 16.549 -4.170 5.626 1.00 1.00 H new ATOM 0 HB2 PRO A 69 18.148 -2.248 6.622 1.00 1.00 H new ATOM 0 HB3 PRO A 69 17.393 -1.903 5.079 1.00 1.00 H new ATOM 0 HG2 PRO A 69 16.501 -1.016 7.850 1.00 1.00 H new ATOM 0 HG3 PRO A 69 16.698 -0.035 6.411 1.00 1.00 H new ATOM 0 HD2 PRO A 69 14.219 -1.093 7.165 1.00 1.00 H new ATOM 0 HD3 PRO A 69 14.608 -0.726 5.496 1.00 1.00 H new ATOM 1148 N ALA A 70 16.044 -5.241 7.806 1.00 1.00 N ATOM 1149 CA ALA A 70 16.094 -5.946 9.088 1.00 1.00 C ATOM 1150 C ALA A 70 15.932 -7.447 8.878 1.00 1.00 C ATOM 1151 O ALA A 70 15.880 -7.954 7.756 1.00 1.00 O ATOM 1152 CB ALA A 70 14.967 -5.419 9.994 1.00 1.00 C ATOM 0 H ALA A 70 15.726 -5.813 7.023 1.00 1.00 H new ATOM 0 HA ALA A 70 17.061 -5.768 9.559 1.00 1.00 H new ATOM 0 HB1 ALA A 70 14.997 -5.939 10.952 1.00 1.00 H new ATOM 0 HB2 ALA A 70 15.101 -4.350 10.157 1.00 1.00 H new ATOM 0 HB3 ALA A 70 14.003 -5.595 9.516 1.00 1.00 H new ATOM 1158 N GLY A 71 15.844 -8.174 9.987 1.00 1.00 N ATOM 1159 CA GLY A 71 15.682 -9.641 9.989 1.00 1.00 C ATOM 1160 C GLY A 71 14.336 -10.015 10.585 1.00 1.00 C ATOM 1161 O GLY A 71 14.254 -10.927 11.408 1.00 1.00 O ATOM 0 H GLY A 71 15.882 -7.768 10.922 1.00 1.00 H new ATOM 0 HA2 GLY A 71 15.758 -10.025 8.972 1.00 1.00 H new ATOM 0 HA3 GLY A 71 16.484 -10.103 10.564 1.00 1.00 H new ATOM 1165 N ILE A 72 13.285 -9.311 10.180 1.00 1.00 N ATOM 1166 CA ILE A 72 11.927 -9.565 10.675 1.00 1.00 C ATOM 1167 C ILE A 72 11.286 -10.718 9.920 1.00 1.00 C ATOM 1168 O ILE A 72 11.667 -11.044 8.795 1.00 1.00 O ATOM 1169 CB ILE A 72 11.029 -8.297 10.489 1.00 1.00 C ATOM 1170 CG1 ILE A 72 10.978 -7.846 8.958 1.00 1.00 C ATOM 1171 CG2 ILE A 72 11.548 -7.154 11.388 1.00 1.00 C ATOM 1172 CD1 ILE A 72 9.603 -8.162 8.338 1.00 1.00 C ATOM 0 H ILE A 72 13.344 -8.551 9.503 1.00 1.00 H new ATOM 0 HA ILE A 72 12.005 -9.815 11.733 1.00 1.00 H new ATOM 0 HB ILE A 72 10.010 -8.543 10.788 1.00 1.00 H new ATOM 0 HG12 ILE A 72 11.179 -6.777 8.883 1.00 1.00 H new ATOM 0 HG13 ILE A 72 11.761 -8.358 8.398 1.00 1.00 H new ATOM 0 HG21 ILE A 72 10.920 -6.273 11.255 1.00 1.00 H new ATOM 0 HG22 ILE A 72 11.516 -7.469 12.431 1.00 1.00 H new ATOM 0 HG23 ILE A 72 12.575 -6.912 11.113 1.00 1.00 H new ATOM 0 HD11 ILE A 72 9.593 -7.846 7.295 1.00 1.00 H new ATOM 0 HD12 ILE A 72 9.417 -9.234 8.394 1.00 1.00 H new ATOM 0 HD13 ILE A 72 8.826 -7.630 8.886 1.00 1.00 H new ATOM 1184 N GLU A 73 10.288 -11.333 10.544 1.00 1.00 N ATOM 1185 CA GLU A 73 9.543 -12.468 9.947 1.00 1.00 C ATOM 1186 C GLU A 73 8.107 -12.032 9.588 1.00 1.00 C ATOM 1187 O GLU A 73 7.330 -11.606 10.444 1.00 1.00 O ATOM 1188 CB GLU A 73 9.493 -13.657 10.947 1.00 1.00 C ATOM 1189 CG GLU A 73 10.907 -14.260 11.167 1.00 1.00 C ATOM 1190 CD GLU A 73 11.826 -13.265 11.874 1.00 1.00 C ATOM 1191 OE1 GLU A 73 11.330 -12.498 12.684 1.00 1.00 O ATOM 1192 OE2 GLU A 73 13.012 -13.281 11.589 1.00 1.00 O ATOM 0 H GLU A 73 9.963 -11.071 11.475 1.00 1.00 H new ATOM 0 HA GLU A 73 10.057 -12.784 9.039 1.00 1.00 H new ATOM 0 HB2 GLU A 73 9.086 -13.318 11.900 1.00 1.00 H new ATOM 0 HB3 GLU A 73 8.820 -14.427 10.569 1.00 1.00 H new ATOM 0 HG2 GLU A 73 10.829 -15.172 11.759 1.00 1.00 H new ATOM 0 HG3 GLU A 73 11.340 -14.540 10.207 1.00 1.00 H new ATOM 1199 N MET A 74 7.750 -12.149 8.314 1.00 1.00 N ATOM 1200 CA MET A 74 6.405 -11.769 7.849 1.00 1.00 C ATOM 1201 C MET A 74 5.364 -12.756 8.403 1.00 1.00 C ATOM 1202 O MET A 74 5.185 -13.863 7.893 1.00 1.00 O ATOM 1203 CB MET A 74 6.365 -11.782 6.304 1.00 1.00 C ATOM 1204 CG MET A 74 7.327 -10.717 5.736 1.00 1.00 C ATOM 1205 SD MET A 74 7.278 -10.754 3.917 1.00 1.00 S ATOM 1206 CE MET A 74 8.560 -12.002 3.607 1.00 1.00 C ATOM 0 H MET A 74 8.365 -12.502 7.581 1.00 1.00 H new ATOM 0 HA MET A 74 6.173 -10.766 8.207 1.00 1.00 H new ATOM 0 HB2 MET A 74 6.644 -12.769 5.934 1.00 1.00 H new ATOM 0 HB3 MET A 74 5.350 -11.587 5.958 1.00 1.00 H new ATOM 0 HG2 MET A 74 7.044 -9.728 6.097 1.00 1.00 H new ATOM 0 HG3 MET A 74 8.342 -10.906 6.086 1.00 1.00 H new ATOM 0 HE1 MET A 74 8.667 -12.155 2.533 1.00 1.00 H new ATOM 0 HE2 MET A 74 9.508 -11.660 4.021 1.00 1.00 H new ATOM 0 HE3 MET A 74 8.275 -12.942 4.080 1.00 1.00 H new ATOM 1216 N VAL A 75 4.666 -12.350 9.457 1.00 1.00 N ATOM 1217 CA VAL A 75 3.647 -13.224 10.078 1.00 1.00 C ATOM 1218 C VAL A 75 2.559 -13.556 9.073 1.00 1.00 C ATOM 1219 O VAL A 75 2.512 -14.667 8.544 1.00 1.00 O ATOM 1220 CB VAL A 75 3.012 -12.525 11.308 1.00 1.00 C ATOM 1221 CG1 VAL A 75 1.918 -13.417 11.979 1.00 1.00 C ATOM 1222 CG2 VAL A 75 4.118 -12.214 12.335 1.00 1.00 C ATOM 0 H VAL A 75 4.775 -11.439 9.902 1.00 1.00 H new ATOM 0 HA VAL A 75 4.136 -14.143 10.401 1.00 1.00 H new ATOM 0 HB VAL A 75 2.533 -11.606 10.969 1.00 1.00 H new ATOM 0 HG11 VAL A 75 1.497 -12.893 12.837 1.00 1.00 H new ATOM 0 HG12 VAL A 75 1.128 -13.627 11.258 1.00 1.00 H new ATOM 0 HG13 VAL A 75 2.365 -14.354 12.310 1.00 1.00 H new ATOM 0 HG21 VAL A 75 3.680 -11.722 13.204 1.00 1.00 H new ATOM 0 HG22 VAL A 75 4.597 -13.142 12.647 1.00 1.00 H new ATOM 0 HG23 VAL A 75 4.861 -11.557 11.882 1.00 1.00 H new ATOM 1232 N SER A 76 1.672 -12.603 8.809 1.00 1.00 N ATOM 1233 CA SER A 76 0.563 -12.807 7.892 1.00 1.00 C ATOM 1234 C SER A 76 -0.130 -11.475 7.606 1.00 1.00 C ATOM 1235 O SER A 76 -0.031 -10.539 8.401 1.00 1.00 O ATOM 1236 CB SER A 76 -0.452 -13.731 8.573 1.00 1.00 C ATOM 1237 OG SER A 76 0.136 -14.979 8.920 1.00 1.00 O ATOM 0 H SER A 76 1.703 -11.672 9.224 1.00 1.00 H new ATOM 0 HA SER A 76 0.933 -13.236 6.961 1.00 1.00 H new ATOM 0 HB2 SER A 76 -0.842 -13.249 9.469 1.00 1.00 H new ATOM 0 HB3 SER A 76 -1.299 -13.898 7.907 1.00 1.00 H new ATOM 0 HG SER A 76 0.926 -15.135 8.361 1.00 1.00 H new ATOM 1243 N ILE A 77 -0.831 -11.396 6.480 1.00 1.00 N ATOM 1244 CA ILE A 77 -1.606 -10.187 6.142 1.00 1.00 C ATOM 1245 C ILE A 77 -0.674 -8.922 6.104 1.00 1.00 C ATOM 1246 O ILE A 77 0.497 -9.062 6.458 1.00 1.00 O ATOM 1247 CB ILE A 77 -2.858 -10.110 7.190 1.00 1.00 C ATOM 1248 CG1 ILE A 77 -2.552 -9.265 8.494 1.00 1.00 C ATOM 1249 CG2 ILE A 77 -3.355 -11.540 7.607 1.00 1.00 C ATOM 1250 CD1 ILE A 77 -3.855 -8.882 9.214 1.00 1.00 C ATOM 0 H ILE A 77 -0.885 -12.142 5.786 1.00 1.00 H new ATOM 0 HA ILE A 77 -2.025 -10.226 5.136 1.00 1.00 H new ATOM 0 HB ILE A 77 -3.644 -9.591 6.642 1.00 1.00 H new ATOM 0 HG12 ILE A 77 -1.916 -9.842 9.166 1.00 1.00 H new ATOM 0 HG13 ILE A 77 -2.000 -8.364 8.228 1.00 1.00 H new ATOM 0 HG21 ILE A 77 -4.188 -11.447 8.304 1.00 1.00 H new ATOM 0 HG22 ILE A 77 -3.682 -12.084 6.721 1.00 1.00 H new ATOM 0 HG23 ILE A 77 -2.540 -12.083 8.086 1.00 1.00 H new ATOM 0 HD11 ILE A 77 -3.621 -8.302 10.107 1.00 1.00 H new ATOM 0 HD12 ILE A 77 -4.477 -8.286 8.547 1.00 1.00 H new ATOM 0 HD13 ILE A 77 -4.392 -9.786 9.500 1.00 1.00 H new ATOM 1262 N PRO A 78 -1.156 -7.748 5.803 1.00 1.00 N ATOM 1263 CA PRO A 78 -2.540 -7.412 5.356 1.00 1.00 C ATOM 1264 C PRO A 78 -2.632 -7.198 3.850 1.00 1.00 C ATOM 1265 O PRO A 78 -1.649 -6.945 3.154 1.00 1.00 O ATOM 1266 CB PRO A 78 -2.794 -6.124 6.139 1.00 1.00 C ATOM 1267 CG PRO A 78 -1.473 -5.372 6.047 1.00 1.00 C ATOM 1268 CD PRO A 78 -0.379 -6.477 5.862 1.00 1.00 C ATOM 0 HA PRO A 78 -3.269 -8.201 5.540 1.00 1.00 H new ATOM 0 HB2 PRO A 78 -3.612 -5.548 5.706 1.00 1.00 H new ATOM 0 HB3 PRO A 78 -3.064 -6.333 7.174 1.00 1.00 H new ATOM 0 HG2 PRO A 78 -1.474 -4.676 5.208 1.00 1.00 H new ATOM 0 HG3 PRO A 78 -1.291 -4.785 6.948 1.00 1.00 H new ATOM 0 HD2 PRO A 78 0.198 -6.319 4.951 1.00 1.00 H new ATOM 0 HD3 PRO A 78 0.329 -6.480 6.691 1.00 1.00 H new ATOM 1276 N ASP A 79 -3.859 -7.301 3.348 1.00 1.00 N ATOM 1277 CA ASP A 79 -4.183 -7.129 1.932 1.00 1.00 C ATOM 1278 C ASP A 79 -4.887 -5.800 1.756 1.00 1.00 C ATOM 1279 O ASP A 79 -5.501 -5.237 2.664 1.00 1.00 O ATOM 1280 CB ASP A 79 -5.080 -8.305 1.436 1.00 1.00 C ATOM 1281 CG ASP A 79 -6.036 -8.781 2.528 1.00 1.00 C ATOM 1282 OD1 ASP A 79 -6.433 -7.960 3.336 1.00 1.00 O ATOM 1283 OD2 ASP A 79 -6.357 -9.960 2.540 1.00 1.00 O ATOM 0 H ASP A 79 -4.674 -7.511 3.925 1.00 1.00 H new ATOM 0 HA ASP A 79 -3.270 -7.136 1.336 1.00 1.00 H new ATOM 0 HB2 ASP A 79 -5.652 -7.985 0.565 1.00 1.00 H new ATOM 0 HB3 ASP A 79 -4.450 -9.135 1.116 1.00 1.00 H new ATOM 1288 N VAL A 80 -4.803 -5.255 0.545 1.00 1.00 N ATOM 1289 CA VAL A 80 -5.424 -3.969 0.213 1.00 1.00 C ATOM 1290 C VAL A 80 -6.383 -4.143 -0.968 1.00 1.00 C ATOM 1291 O VAL A 80 -6.071 -4.721 -2.008 1.00 1.00 O ATOM 1292 CB VAL A 80 -4.319 -2.923 -0.091 1.00 1.00 C ATOM 1293 CG1 VAL A 80 -4.945 -1.531 -0.361 1.00 1.00 C ATOM 1294 CG2 VAL A 80 -3.362 -2.833 1.130 1.00 1.00 C ATOM 0 H VAL A 80 -4.305 -5.688 -0.233 1.00 1.00 H new ATOM 0 HA VAL A 80 -6.007 -3.607 1.060 1.00 1.00 H new ATOM 0 HB VAL A 80 -3.769 -3.233 -0.979 1.00 1.00 H new ATOM 0 HG11 VAL A 80 -4.154 -0.811 -0.572 1.00 1.00 H new ATOM 0 HG12 VAL A 80 -5.616 -1.594 -1.217 1.00 1.00 H new ATOM 0 HG13 VAL A 80 -5.505 -1.208 0.516 1.00 1.00 H new ATOM 0 HG21 VAL A 80 -2.581 -2.100 0.927 1.00 1.00 H new ATOM 0 HG22 VAL A 80 -3.925 -2.528 2.012 1.00 1.00 H new ATOM 0 HG23 VAL A 80 -2.908 -3.807 1.309 1.00 1.00 H new ATOM 1304 N THR A 81 -7.577 -3.587 -0.794 1.00 1.00 N ATOM 1305 CA THR A 81 -8.638 -3.643 -1.817 1.00 1.00 C ATOM 1306 C THR A 81 -9.284 -2.259 -1.944 1.00 1.00 C ATOM 1307 O THR A 81 -9.715 -1.649 -0.966 1.00 1.00 O ATOM 1308 CB THR A 81 -9.689 -4.711 -1.412 1.00 1.00 C ATOM 1309 OG1 THR A 81 -9.016 -5.926 -1.105 1.00 1.00 O ATOM 1310 CG2 THR A 81 -10.675 -4.968 -2.572 1.00 1.00 C ATOM 0 H THR A 81 -7.845 -3.085 0.053 1.00 1.00 H new ATOM 0 HA THR A 81 -8.218 -3.923 -2.783 1.00 1.00 H new ATOM 0 HB THR A 81 -10.245 -4.350 -0.547 1.00 1.00 H new ATOM 0 HG1 THR A 81 -9.672 -6.607 -0.846 1.00 1.00 H new ATOM 0 HG21 THR A 81 -11.404 -5.719 -2.270 1.00 1.00 H new ATOM 0 HG22 THR A 81 -11.191 -4.041 -2.823 1.00 1.00 H new ATOM 0 HG23 THR A 81 -10.126 -5.325 -3.444 1.00 1.00 H new ATOM 1318 N TYR A 82 -9.343 -1.765 -3.176 1.00 1.00 N ATOM 1319 CA TYR A 82 -9.922 -0.444 -3.451 1.00 1.00 C ATOM 1320 C TYR A 82 -10.637 -0.456 -4.782 1.00 1.00 C ATOM 1321 O TYR A 82 -10.799 -1.482 -5.441 1.00 1.00 O ATOM 1322 CB TYR A 82 -8.813 0.632 -3.422 1.00 1.00 C ATOM 1323 CG TYR A 82 -7.733 0.317 -4.468 1.00 1.00 C ATOM 1324 CD1 TYR A 82 -6.801 -0.709 -4.221 1.00 1.00 C ATOM 1325 CD2 TYR A 82 -7.647 1.055 -5.669 1.00 1.00 C ATOM 1326 CE1 TYR A 82 -5.803 -0.996 -5.156 1.00 1.00 C ATOM 1327 CE2 TYR A 82 -6.645 0.761 -6.603 1.00 1.00 C ATOM 1328 CZ TYR A 82 -5.722 -0.262 -6.345 1.00 1.00 C ATOM 1329 OH TYR A 82 -4.733 -0.542 -7.267 1.00 1.00 O ATOM 0 H TYR A 82 -8.999 -2.254 -4.002 1.00 1.00 H new ATOM 0 HA TYR A 82 -10.653 -0.202 -2.679 1.00 1.00 H new ATOM 0 HB2 TYR A 82 -9.244 1.613 -3.620 1.00 1.00 H new ATOM 0 HB3 TYR A 82 -8.365 0.675 -2.429 1.00 1.00 H new ATOM 0 HD1 TYR A 82 -6.858 -1.277 -3.304 1.00 1.00 H new ATOM 0 HD2 TYR A 82 -8.354 1.847 -5.868 1.00 1.00 H new ATOM 0 HE1 TYR A 82 -5.093 -1.786 -4.961 1.00 1.00 H new ATOM 0 HE2 TYR A 82 -6.584 1.323 -7.523 1.00 1.00 H new ATOM 0 HH TYR A 82 -4.822 0.060 -8.035 1.00 1.00 H new ATOM 1339 N THR A 83 -11.100 0.714 -5.208 1.00 1.00 N ATOM 1340 CA THR A 83 -11.836 0.839 -6.497 1.00 1.00 C ATOM 1341 C THR A 83 -11.235 1.951 -7.362 1.00 1.00 C ATOM 1342 O THR A 83 -11.312 3.133 -7.024 1.00 1.00 O ATOM 1343 CB THR A 83 -13.322 1.129 -6.184 1.00 1.00 C ATOM 1344 OG1 THR A 83 -13.789 0.156 -5.257 1.00 1.00 O ATOM 1345 CG2 THR A 83 -14.185 1.063 -7.461 1.00 1.00 C ATOM 0 H THR A 83 -10.989 1.591 -4.698 1.00 1.00 H new ATOM 0 HA THR A 83 -11.752 -0.090 -7.060 1.00 1.00 H new ATOM 0 HB THR A 83 -13.403 2.133 -5.768 1.00 1.00 H new ATOM 0 HG1 THR A 83 -14.731 0.329 -5.048 1.00 1.00 H new ATOM 0 HG21 THR A 83 -15.225 1.271 -7.209 1.00 1.00 H new ATOM 0 HG22 THR A 83 -13.830 1.803 -8.178 1.00 1.00 H new ATOM 0 HG23 THR A 83 -14.110 0.068 -7.900 1.00 1.00 H new ATOM 1353 N LEU A 84 -10.652 1.575 -8.494 1.00 1.00 N ATOM 1354 CA LEU A 84 -10.039 2.547 -9.420 1.00 1.00 C ATOM 1355 C LEU A 84 -11.085 3.016 -10.424 1.00 1.00 C ATOM 1356 O LEU A 84 -11.868 2.221 -10.945 1.00 1.00 O ATOM 1357 CB LEU A 84 -8.839 1.886 -10.140 1.00 1.00 C ATOM 1358 CG LEU A 84 -8.014 2.903 -11.005 1.00 1.00 C ATOM 1359 CD1 LEU A 84 -7.449 4.077 -10.136 1.00 1.00 C ATOM 1360 CD2 LEU A 84 -6.849 2.142 -11.713 1.00 1.00 C ATOM 0 H LEU A 84 -10.586 0.605 -8.802 1.00 1.00 H new ATOM 0 HA LEU A 84 -9.676 3.413 -8.867 1.00 1.00 H new ATOM 0 HB2 LEU A 84 -8.183 1.430 -9.399 1.00 1.00 H new ATOM 0 HB3 LEU A 84 -9.203 1.083 -10.781 1.00 1.00 H new ATOM 0 HG LEU A 84 -8.677 3.343 -11.750 1.00 1.00 H new ATOM 0 HD11 LEU A 84 -6.884 4.760 -10.770 1.00 1.00 H new ATOM 0 HD12 LEU A 84 -8.275 4.614 -9.669 1.00 1.00 H new ATOM 0 HD13 LEU A 84 -6.795 3.675 -9.363 1.00 1.00 H new ATOM 0 HD21 LEU A 84 -6.271 2.842 -12.316 1.00 1.00 H new ATOM 0 HD22 LEU A 84 -6.201 1.689 -10.963 1.00 1.00 H new ATOM 0 HD23 LEU A 84 -7.260 1.363 -12.355 1.00 1.00 H new ATOM 1372 N LYS A 85 -11.107 4.313 -10.711 1.00 1.00 N ATOM 1373 CA LYS A 85 -12.074 4.900 -11.658 1.00 1.00 C ATOM 1374 C LYS A 85 -11.385 5.934 -12.536 1.00 1.00 C ATOM 1375 O LYS A 85 -10.305 6.442 -12.229 1.00 1.00 O ATOM 1376 CB LYS A 85 -13.251 5.561 -10.891 1.00 1.00 C ATOM 1377 CG LYS A 85 -14.065 4.496 -10.123 1.00 1.00 C ATOM 1378 CD LYS A 85 -15.253 5.135 -9.340 1.00 1.00 C ATOM 1379 CE LYS A 85 -16.403 5.594 -10.278 1.00 1.00 C ATOM 1380 NZ LYS A 85 -17.607 5.925 -9.453 1.00 1.00 N ATOM 0 H LYS A 85 -10.464 4.991 -10.302 1.00 1.00 H new ATOM 0 HA LYS A 85 -12.469 4.103 -12.288 1.00 1.00 H new ATOM 0 HB2 LYS A 85 -12.866 6.305 -10.194 1.00 1.00 H new ATOM 0 HB3 LYS A 85 -13.899 6.087 -11.592 1.00 1.00 H new ATOM 0 HG2 LYS A 85 -14.448 3.754 -10.824 1.00 1.00 H new ATOM 0 HG3 LYS A 85 -13.411 3.970 -9.427 1.00 1.00 H new ATOM 0 HD2 LYS A 85 -15.641 4.413 -8.621 1.00 1.00 H new ATOM 0 HD3 LYS A 85 -14.890 5.990 -8.769 1.00 1.00 H new ATOM 0 HE2 LYS A 85 -16.092 6.465 -10.855 1.00 1.00 H new ATOM 0 HE3 LYS A 85 -16.642 4.806 -10.993 1.00 1.00 H new ATOM 0 HZ1 LYS A 85 -18.381 6.233 -10.076 1.00 1.00 H new ATOM 0 HZ2 LYS A 85 -17.905 5.083 -8.921 1.00 1.00 H new ATOM 0 HZ3 LYS A 85 -17.373 6.690 -8.788 1.00 1.00 H new ATOM 1394 N ALA A 86 -12.027 6.261 -13.654 1.00 1.00 N ATOM 1395 CA ALA A 86 -11.509 7.233 -14.618 1.00 1.00 C ATOM 1396 C ALA A 86 -11.698 8.666 -14.112 1.00 1.00 C ATOM 1397 O ALA A 86 -12.666 8.971 -13.417 1.00 1.00 O ATOM 1398 CB ALA A 86 -12.244 7.050 -15.957 1.00 1.00 C ATOM 0 H ALA A 86 -12.926 5.858 -13.920 1.00 1.00 H new ATOM 0 HA ALA A 86 -10.441 7.062 -14.751 1.00 1.00 H new ATOM 0 HB1 ALA A 86 -11.865 7.770 -16.682 1.00 1.00 H new ATOM 0 HB2 ALA A 86 -12.077 6.039 -16.329 1.00 1.00 H new ATOM 0 HB3 ALA A 86 -13.312 7.211 -15.811 1.00 1.00 H new ATOM 1404 N LYS A 87 -10.763 9.542 -14.465 1.00 1.00 N ATOM 1405 CA LYS A 87 -10.820 10.950 -14.063 1.00 1.00 C ATOM 1406 C LYS A 87 -12.063 11.629 -14.656 1.00 1.00 C ATOM 1407 O LYS A 87 -12.594 11.216 -15.687 1.00 1.00 O ATOM 1408 CB LYS A 87 -9.508 11.662 -14.522 1.00 1.00 C ATOM 1409 CG LYS A 87 -9.485 11.936 -16.077 1.00 1.00 C ATOM 1410 CD LYS A 87 -9.940 13.385 -16.400 1.00 1.00 C ATOM 1411 CE LYS A 87 -10.051 13.578 -17.918 1.00 1.00 C ATOM 1412 NZ LYS A 87 -11.049 12.616 -18.476 1.00 1.00 N ATOM 0 H LYS A 87 -9.950 9.303 -15.033 1.00 1.00 H new ATOM 0 HA LYS A 87 -10.899 11.021 -12.978 1.00 1.00 H new ATOM 0 HB2 LYS A 87 -9.404 12.606 -13.988 1.00 1.00 H new ATOM 0 HB3 LYS A 87 -8.650 11.047 -14.251 1.00 1.00 H new ATOM 0 HG2 LYS A 87 -8.478 11.774 -16.462 1.00 1.00 H new ATOM 0 HG3 LYS A 87 -10.138 11.226 -16.584 1.00 1.00 H new ATOM 0 HD2 LYS A 87 -10.902 13.586 -15.929 1.00 1.00 H new ATOM 0 HD3 LYS A 87 -9.228 14.099 -15.986 1.00 1.00 H new ATOM 0 HE2 LYS A 87 -10.352 14.601 -18.143 1.00 1.00 H new ATOM 0 HE3 LYS A 87 -9.079 13.421 -18.386 1.00 1.00 H new ATOM 0 HZ1 LYS A 87 -11.661 13.108 -19.158 1.00 1.00 H new ATOM 0 HZ2 LYS A 87 -10.551 11.838 -18.955 1.00 1.00 H new ATOM 0 HZ3 LYS A 87 -11.630 12.232 -17.704 1.00 1.00 H new