USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 712 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 57 MET CE :methyl -150:sc= -0.343 (180deg=-0.971) USER MOD Set 1.2: A 70 GLN : amide:sc= -4 K(o=-4.3,f=-8.7!) USER MOD Set 1.3: A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 130:sc= -0.254 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0575 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.0908 K(o=-0.091,f=-0.93) USER MOD Single : A 28 GLN : amide:sc= -11.1! C(o=-11!,f=-15!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -93:sc= -0.731 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.219 K(o=-0.22,f=-1.1) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc=-0.00223 X(o=-0.0022,f=-0.27) USER MOD Single : A 51 ASN : amide:sc= -1.03 X(o=-1,f=-1.2) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.228 K(o=-0.23,f=-1.1) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN :FLIP amide:sc= -3.33 F(o=-4.9!,f=-3.3) USER MOD Single : A 75 ASN :FLIP amide:sc= -3.46! C(o=-4!,f=-3.5!) USER MOD Single : A 76 HIS : no HD1:sc= -0.152 X(o=-0.15,f=-0.13) USER MOD Single : A 78 CYS SG : rot -70:sc= -3.18! USER MOD Single : A 81 TYR OH : rot 130:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.529 X(o=-0.53,f=-0.47) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.0442 K(o=-0.044,f=-0.77) USER MOD Single : A 98 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.069) USER MOD ----------------------------------------------------------------- ATOM 103 N GLY A 10 10.009 -7.560 -3.538 1.00 0.00 N ATOM 104 CA GLY A 10 9.223 -7.745 -2.330 1.00 0.00 C ATOM 105 C GLY A 10 8.393 -6.498 -2.019 1.00 0.00 C ATOM 106 O GLY A 10 8.661 -5.797 -1.045 1.00 0.00 O ATOM 0 HA2 GLY A 10 8.564 -8.605 -2.449 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.884 -7.964 -1.492 1.00 0.00 H new ATOM 110 N LEU A 11 7.403 -6.260 -2.866 1.00 0.00 N ATOM 111 CA LEU A 11 6.531 -5.110 -2.694 1.00 0.00 C ATOM 112 C LEU A 11 5.572 -5.371 -1.531 1.00 0.00 C ATOM 113 O LEU A 11 4.965 -6.438 -1.450 1.00 0.00 O ATOM 114 CB LEU A 11 5.826 -4.770 -4.009 1.00 0.00 C ATOM 115 CG LEU A 11 5.968 -3.326 -4.493 1.00 0.00 C ATOM 116 CD1 LEU A 11 5.181 -2.367 -3.597 1.00 0.00 C ATOM 117 CD2 LEU A 11 7.441 -2.928 -4.605 1.00 0.00 C ATOM 0 H LEU A 11 7.185 -6.844 -3.674 1.00 0.00 H new ATOM 0 HA LEU A 11 7.114 -4.226 -2.434 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.210 -5.432 -4.785 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.765 -4.992 -3.897 1.00 0.00 H new ATOM 0 HG LEU A 11 5.539 -3.257 -5.493 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.299 -1.347 -3.963 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.125 -2.638 -3.612 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.557 -2.432 -2.576 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.514 -1.897 -4.951 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.917 -3.018 -3.629 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.943 -3.585 -5.315 1.00 0.00 H new ATOM 129 N ARG A 12 5.466 -4.379 -0.659 1.00 0.00 N ATOM 130 CA ARG A 12 4.591 -4.488 0.496 1.00 0.00 C ATOM 131 C ARG A 12 3.718 -3.238 0.621 1.00 0.00 C ATOM 132 O ARG A 12 4.227 -2.118 0.610 1.00 0.00 O ATOM 133 CB ARG A 12 5.398 -4.669 1.783 1.00 0.00 C ATOM 134 CG ARG A 12 6.277 -5.920 1.708 1.00 0.00 C ATOM 135 CD ARG A 12 6.397 -6.588 3.079 1.00 0.00 C ATOM 136 NE ARG A 12 7.823 -6.764 3.433 1.00 0.00 N ATOM 137 CZ ARG A 12 8.259 -7.550 4.427 1.00 0.00 C ATOM 138 NH1 ARG A 12 7.382 -8.238 5.171 1.00 0.00 N ATOM 139 NH2 ARG A 12 9.572 -7.649 4.676 1.00 0.00 N ATOM 0 H ARG A 12 5.972 -3.496 -0.729 1.00 0.00 H new ATOM 0 HA ARG A 12 3.958 -5.364 0.351 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.022 -3.791 1.952 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.721 -4.747 2.633 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.853 -6.624 0.992 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.268 -5.651 1.342 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.899 -5.980 3.834 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.895 -7.555 3.067 1.00 0.00 H new ATOM 0 HE ARG A 12 8.518 -6.255 2.886 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.383 -8.163 4.981 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.714 -8.836 5.928 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.239 -7.126 4.109 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.904 -8.247 5.433 1.00 0.00 H new ATOM 153 N VAL A 13 2.419 -3.471 0.736 1.00 0.00 N ATOM 154 CA VAL A 13 1.471 -2.378 0.863 1.00 0.00 C ATOM 155 C VAL A 13 0.921 -2.348 2.291 1.00 0.00 C ATOM 156 O VAL A 13 0.016 -3.110 2.627 1.00 0.00 O ATOM 157 CB VAL A 13 0.376 -2.509 -0.197 1.00 0.00 C ATOM 158 CG1 VAL A 13 -0.848 -1.668 0.172 1.00 0.00 C ATOM 159 CG2 VAL A 13 0.904 -2.130 -1.581 1.00 0.00 C ATOM 0 H VAL A 13 2.001 -4.401 0.744 1.00 0.00 H new ATOM 0 HA VAL A 13 1.964 -1.422 0.685 1.00 0.00 H new ATOM 0 HB VAL A 13 0.067 -3.554 -0.231 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.611 -1.779 -0.598 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.246 -2.005 1.129 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.560 -0.620 0.248 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.105 -2.232 -2.316 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.254 -1.098 -1.567 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.729 -2.790 -1.849 1.00 0.00 H new ATOM 169 N TYR A 14 1.491 -1.461 3.092 1.00 0.00 N ATOM 170 CA TYR A 14 1.069 -1.322 4.476 1.00 0.00 C ATOM 171 C TYR A 14 -0.292 -0.630 4.567 1.00 0.00 C ATOM 172 O TYR A 14 -0.396 0.576 4.345 1.00 0.00 O ATOM 173 CB TYR A 14 2.122 -0.442 5.152 1.00 0.00 C ATOM 174 CG TYR A 14 3.433 -1.167 5.462 1.00 0.00 C ATOM 175 CD1 TYR A 14 4.290 -1.512 4.436 1.00 0.00 C ATOM 176 CD2 TYR A 14 3.760 -1.476 6.767 1.00 0.00 C ATOM 177 CE1 TYR A 14 5.524 -2.194 4.728 1.00 0.00 C ATOM 178 CE2 TYR A 14 4.994 -2.158 7.058 1.00 0.00 C ATOM 179 CZ TYR A 14 5.815 -2.484 6.024 1.00 0.00 C ATOM 180 OH TYR A 14 6.981 -3.128 6.300 1.00 0.00 O ATOM 0 H TYR A 14 2.242 -0.831 2.810 1.00 0.00 H new ATOM 0 HA TYR A 14 0.976 -2.300 4.949 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.334 0.412 4.509 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.709 -0.047 6.080 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.035 -1.270 3.415 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.090 -1.206 7.570 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.204 -2.469 3.935 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.262 -2.405 8.075 1.00 0.00 H new ATOM 0 HH TYR A 14 7.056 -3.268 7.267 1.00 0.00 H new ATOM 190 N SER A 15 -1.302 -1.422 4.895 1.00 0.00 N ATOM 191 CA SER A 15 -2.653 -0.900 5.019 1.00 0.00 C ATOM 192 C SER A 15 -3.201 -1.192 6.417 1.00 0.00 C ATOM 193 O SER A 15 -2.523 -1.809 7.237 1.00 0.00 O ATOM 194 CB SER A 15 -3.573 -1.496 3.952 1.00 0.00 C ATOM 195 OG SER A 15 -3.893 -2.858 4.224 1.00 0.00 O ATOM 0 H SER A 15 -1.212 -2.421 5.079 1.00 0.00 H new ATOM 0 HA SER A 15 -2.618 0.179 4.868 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.491 -0.912 3.898 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.091 -1.424 2.977 1.00 0.00 H new ATOM 0 HG SER A 15 -4.863 -2.984 4.168 1.00 0.00 H new ATOM 201 N THR A 16 -4.423 -0.736 6.646 1.00 0.00 N ATOM 202 CA THR A 16 -5.070 -0.940 7.931 1.00 0.00 C ATOM 203 C THR A 16 -6.555 -1.254 7.736 1.00 0.00 C ATOM 204 O THR A 16 -7.124 -0.954 6.688 1.00 0.00 O ATOM 205 CB THR A 16 -4.818 0.300 8.790 1.00 0.00 C ATOM 206 OG1 THR A 16 -5.315 -0.062 10.076 1.00 0.00 O ATOM 207 CG2 THR A 16 -5.689 1.487 8.374 1.00 0.00 C ATOM 0 H THR A 16 -4.983 -0.226 5.963 1.00 0.00 H new ATOM 0 HA THR A 16 -4.653 -1.802 8.451 1.00 0.00 H new ATOM 0 HB THR A 16 -3.767 0.580 8.723 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.190 0.685 10.697 1.00 0.00 H new ATOM 0 HG21 THR A 16 -5.471 2.341 9.015 1.00 0.00 H new ATOM 0 HG22 THR A 16 -5.477 1.748 7.337 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.741 1.219 8.473 1.00 0.00 H new ATOM 215 N SER A 17 -7.140 -1.852 8.763 1.00 0.00 N ATOM 216 CA SER A 17 -8.548 -2.209 8.718 1.00 0.00 C ATOM 217 C SER A 17 -9.328 -1.395 9.753 1.00 0.00 C ATOM 218 O SER A 17 -10.447 -0.960 9.490 1.00 0.00 O ATOM 219 CB SER A 17 -8.745 -3.707 8.964 1.00 0.00 C ATOM 220 OG SER A 17 -9.726 -4.266 8.095 1.00 0.00 O ATOM 0 H SER A 17 -6.665 -2.098 9.631 1.00 0.00 H new ATOM 0 HA SER A 17 -8.927 -1.978 7.722 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.797 -4.226 8.822 1.00 0.00 H new ATOM 0 HB3 SER A 17 -9.044 -3.868 10.000 1.00 0.00 H new ATOM 0 HG SER A 17 -9.821 -5.223 8.282 1.00 0.00 H new ATOM 226 N VAL A 18 -8.705 -1.214 10.908 1.00 0.00 N ATOM 227 CA VAL A 18 -9.326 -0.460 11.984 1.00 0.00 C ATOM 228 C VAL A 18 -8.869 0.998 11.908 1.00 0.00 C ATOM 229 O VAL A 18 -7.960 1.406 12.629 1.00 0.00 O ATOM 230 CB VAL A 18 -9.013 -1.115 13.331 1.00 0.00 C ATOM 231 CG1 VAL A 18 -9.502 -0.244 14.490 1.00 0.00 C ATOM 232 CG2 VAL A 18 -9.614 -2.520 13.409 1.00 0.00 C ATOM 0 H VAL A 18 -7.776 -1.577 11.122 1.00 0.00 H new ATOM 0 HA VAL A 18 -10.411 -0.467 11.879 1.00 0.00 H new ATOM 0 HB VAL A 18 -7.930 -1.208 13.416 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -9.267 -0.732 15.436 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -9.007 0.726 14.450 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -10.580 -0.105 14.411 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -9.377 -2.964 14.376 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.696 -2.460 13.292 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.197 -3.139 12.614 1.00 0.00 H new ATOM 242 N THR A 19 -9.521 1.744 11.028 1.00 0.00 N ATOM 243 CA THR A 19 -9.193 3.148 10.848 1.00 0.00 C ATOM 244 C THR A 19 -10.469 3.976 10.678 1.00 0.00 C ATOM 245 O THR A 19 -11.221 3.774 9.726 1.00 0.00 O ATOM 246 CB THR A 19 -8.232 3.262 9.663 1.00 0.00 C ATOM 247 OG1 THR A 19 -8.037 4.665 9.508 1.00 0.00 O ATOM 248 CG2 THR A 19 -8.875 2.827 8.344 1.00 0.00 C ATOM 0 H THR A 19 -10.275 1.402 10.432 1.00 0.00 H new ATOM 0 HA THR A 19 -8.694 3.553 11.728 1.00 0.00 H new ATOM 0 HB THR A 19 -7.347 2.654 9.853 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.424 4.830 8.761 1.00 0.00 H new ATOM 0 HG21 THR A 19 -8.151 2.927 7.536 1.00 0.00 H new ATOM 0 HG22 THR A 19 -9.193 1.787 8.420 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.740 3.456 8.136 1.00 0.00 H new ATOM 256 N GLY A 20 -10.673 4.890 11.615 1.00 0.00 N ATOM 257 CA GLY A 20 -11.844 5.749 11.580 1.00 0.00 C ATOM 258 C GLY A 20 -11.564 7.026 10.785 1.00 0.00 C ATOM 259 O GLY A 20 -11.620 8.126 11.331 1.00 0.00 O ATOM 0 H GLY A 20 -10.047 5.054 12.403 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -12.680 5.212 11.131 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -12.141 6.007 12.597 1.00 0.00 H new ATOM 263 N SER A 21 -11.270 6.836 9.507 1.00 0.00 N ATOM 264 CA SER A 21 -10.981 7.959 8.631 1.00 0.00 C ATOM 265 C SER A 21 -11.818 7.855 7.354 1.00 0.00 C ATOM 266 O SER A 21 -12.444 8.828 6.937 1.00 0.00 O ATOM 267 CB SER A 21 -9.492 8.019 8.285 1.00 0.00 C ATOM 268 OG SER A 21 -8.785 8.924 9.129 1.00 0.00 O ATOM 0 H SER A 21 -11.226 5.922 9.057 1.00 0.00 H new ATOM 0 HA SER A 21 -11.242 8.878 9.156 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.058 7.023 8.376 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.373 8.324 7.245 1.00 0.00 H new ATOM 0 HG SER A 21 -7.838 8.933 8.878 1.00 0.00 H new ATOM 274 N ARG A 22 -11.803 6.666 6.770 1.00 0.00 N ATOM 275 CA ARG A 22 -12.553 6.422 5.549 1.00 0.00 C ATOM 276 C ARG A 22 -11.733 6.846 4.329 1.00 0.00 C ATOM 277 O ARG A 22 -11.645 6.108 3.349 1.00 0.00 O ATOM 278 CB ARG A 22 -13.878 7.186 5.555 1.00 0.00 C ATOM 279 CG ARG A 22 -14.905 6.509 4.646 1.00 0.00 C ATOM 280 CD ARG A 22 -15.908 5.693 5.463 1.00 0.00 C ATOM 281 NE ARG A 22 -15.704 4.248 5.219 1.00 0.00 N ATOM 282 CZ ARG A 22 -16.610 3.302 5.502 1.00 0.00 C ATOM 283 NH1 ARG A 22 -17.789 3.644 6.041 1.00 0.00 N ATOM 284 NH2 ARG A 22 -16.339 2.015 5.245 1.00 0.00 N ATOM 0 H ARG A 22 -11.283 5.861 7.119 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.763 5.354 5.496 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -14.266 7.239 6.572 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -13.713 8.211 5.223 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -15.434 7.264 4.064 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -14.394 5.858 3.936 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -15.788 5.911 6.524 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -16.925 5.976 5.192 1.00 0.00 H new ATOM 0 HE ARG A 22 -14.818 3.953 4.809 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -17.996 4.624 6.235 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -18.479 2.924 6.257 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -15.443 1.755 4.834 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -17.029 1.296 5.461 1.00 0.00 H new ATOM 298 N GLU A 23 -11.153 8.033 4.429 1.00 0.00 N ATOM 299 CA GLU A 23 -10.343 8.564 3.346 1.00 0.00 C ATOM 300 C GLU A 23 -9.079 7.722 3.165 1.00 0.00 C ATOM 301 O GLU A 23 -8.704 7.392 2.041 1.00 0.00 O ATOM 302 CB GLU A 23 -9.993 10.033 3.592 1.00 0.00 C ATOM 303 CG GLU A 23 -10.571 10.927 2.494 1.00 0.00 C ATOM 304 CD GLU A 23 -10.665 12.380 2.962 1.00 0.00 C ATOM 305 OE1 GLU A 23 -11.115 12.578 4.112 1.00 0.00 O ATOM 306 OE2 GLU A 23 -10.285 13.261 2.161 1.00 0.00 O ATOM 0 H GLU A 23 -11.228 8.642 5.244 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.924 8.512 2.425 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.381 10.345 4.562 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.910 10.151 3.629 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.944 10.868 1.604 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.560 10.568 2.211 1.00 0.00 H new ATOM 313 N ILE A 24 -8.458 7.397 4.289 1.00 0.00 N ATOM 314 CA ILE A 24 -7.244 6.599 4.270 1.00 0.00 C ATOM 315 C ILE A 24 -7.504 5.301 3.502 1.00 0.00 C ATOM 316 O ILE A 24 -6.759 4.957 2.586 1.00 0.00 O ATOM 317 CB ILE A 24 -6.724 6.379 5.692 1.00 0.00 C ATOM 318 CG1 ILE A 24 -6.519 7.712 6.413 1.00 0.00 C ATOM 319 CG2 ILE A 24 -5.451 5.529 5.685 1.00 0.00 C ATOM 320 CD1 ILE A 24 -5.781 7.511 7.738 1.00 0.00 C ATOM 0 H ILE A 24 -8.773 7.672 5.219 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.449 7.128 3.744 1.00 0.00 H new ATOM 0 HB ILE A 24 -7.479 5.824 6.250 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.952 8.391 5.776 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -7.485 8.182 6.598 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.102 5.388 6.708 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.664 4.558 5.237 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.679 6.035 5.105 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.648 8.474 8.230 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.363 6.851 8.382 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.806 7.064 7.547 1.00 0.00 H new ATOM 332 N LYS A 25 -8.564 4.615 3.905 1.00 0.00 N ATOM 333 CA LYS A 25 -8.932 3.363 3.267 1.00 0.00 C ATOM 334 C LYS A 25 -8.929 3.549 1.748 1.00 0.00 C ATOM 335 O LYS A 25 -8.254 2.814 1.030 1.00 0.00 O ATOM 336 CB LYS A 25 -10.262 2.850 3.821 1.00 0.00 C ATOM 337 CG LYS A 25 -10.101 2.348 5.257 1.00 0.00 C ATOM 338 CD LYS A 25 -11.270 2.805 6.132 1.00 0.00 C ATOM 339 CE LYS A 25 -12.533 1.998 5.825 1.00 0.00 C ATOM 340 NZ LYS A 25 -13.308 1.756 7.062 1.00 0.00 N ATOM 0 H LYS A 25 -9.179 4.903 4.666 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.199 2.589 3.495 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.004 3.648 3.792 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.636 2.044 3.190 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.043 1.260 5.261 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.164 2.719 5.673 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.008 2.691 7.184 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.462 3.865 5.964 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.148 2.535 5.103 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.261 1.047 5.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.162 1.207 6.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.724 1.224 7.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.584 2.666 7.483 1.00 0.00 H new ATOM 354 N SER A 26 -9.692 4.537 1.304 1.00 0.00 N ATOM 355 CA SER A 26 -9.786 4.830 -0.116 1.00 0.00 C ATOM 356 C SER A 26 -8.395 4.790 -0.752 1.00 0.00 C ATOM 357 O SER A 26 -8.172 4.067 -1.721 1.00 0.00 O ATOM 358 CB SER A 26 -10.441 6.191 -0.356 1.00 0.00 C ATOM 359 OG SER A 26 -11.579 6.094 -1.207 1.00 0.00 O ATOM 0 H SER A 26 -10.251 5.145 1.903 1.00 0.00 H new ATOM 0 HA SER A 26 -10.413 4.069 -0.581 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.739 6.623 0.599 1.00 0.00 H new ATOM 0 HB3 SER A 26 -9.713 6.870 -0.800 1.00 0.00 H new ATOM 0 HG SER A 26 -11.969 6.984 -1.334 1.00 0.00 H new ATOM 365 N GLN A 27 -7.495 5.576 -0.179 1.00 0.00 N ATOM 366 CA GLN A 27 -6.132 5.640 -0.678 1.00 0.00 C ATOM 367 C GLN A 27 -5.541 4.234 -0.789 1.00 0.00 C ATOM 368 O GLN A 27 -4.921 3.895 -1.796 1.00 0.00 O ATOM 369 CB GLN A 27 -5.263 6.531 0.213 1.00 0.00 C ATOM 370 CG GLN A 27 -5.588 8.010 -0.008 1.00 0.00 C ATOM 371 CD GLN A 27 -5.569 8.779 1.315 1.00 0.00 C ATOM 372 OE1 GLN A 27 -4.881 8.425 2.258 1.00 0.00 O ATOM 373 NE2 GLN A 27 -6.360 9.848 1.331 1.00 0.00 N ATOM 0 H GLN A 27 -7.683 6.174 0.626 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.151 6.085 -1.673 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -5.424 6.272 1.260 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.210 6.350 -0.002 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -4.864 8.446 -0.697 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -6.569 8.105 -0.474 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.910 10.088 0.506 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.417 10.428 2.168 1.00 0.00 H new ATOM 382 N GLN A 28 -5.754 3.452 0.259 1.00 0.00 N ATOM 383 CA GLN A 28 -5.250 2.090 0.292 1.00 0.00 C ATOM 384 C GLN A 28 -5.887 1.261 -0.825 1.00 0.00 C ATOM 385 O GLN A 28 -5.193 0.540 -1.541 1.00 0.00 O ATOM 386 CB GLN A 28 -5.495 1.447 1.659 1.00 0.00 C ATOM 387 CG GLN A 28 -4.968 2.338 2.786 1.00 0.00 C ATOM 388 CD GLN A 28 -5.862 2.242 4.024 1.00 0.00 C ATOM 389 OE1 GLN A 28 -6.136 3.219 4.701 1.00 0.00 O ATOM 390 NE2 GLN A 28 -6.300 1.012 4.281 1.00 0.00 N ATOM 0 H GLN A 28 -6.269 3.736 1.092 1.00 0.00 H new ATOM 0 HA GLN A 28 -4.173 2.118 0.128 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.562 1.273 1.797 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.005 0.474 1.700 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.951 2.042 3.043 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.922 3.372 2.445 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.032 0.238 3.673 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.903 0.843 5.086 1.00 0.00 H new ATOM 399 N SER A 29 -7.200 1.392 -0.941 1.00 0.00 N ATOM 400 CA SER A 29 -7.938 0.664 -1.959 1.00 0.00 C ATOM 401 C SER A 29 -7.437 1.057 -3.350 1.00 0.00 C ATOM 402 O SER A 29 -7.259 0.201 -4.215 1.00 0.00 O ATOM 403 CB SER A 29 -9.441 0.926 -1.843 1.00 0.00 C ATOM 404 OG SER A 29 -10.176 -0.272 -1.607 1.00 0.00 O ATOM 0 H SER A 29 -7.772 1.992 -0.347 1.00 0.00 H new ATOM 0 HA SER A 29 -7.769 -0.402 -1.807 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.625 1.630 -1.031 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.799 1.396 -2.759 1.00 0.00 H new ATOM 0 HG SER A 29 -11.131 -0.062 -1.537 1.00 0.00 H new ATOM 410 N GLU A 30 -7.223 2.354 -3.522 1.00 0.00 N ATOM 411 CA GLU A 30 -6.746 2.871 -4.794 1.00 0.00 C ATOM 412 C GLU A 30 -5.379 2.271 -5.131 1.00 0.00 C ATOM 413 O GLU A 30 -5.242 1.543 -6.113 1.00 0.00 O ATOM 414 CB GLU A 30 -6.684 4.399 -4.776 1.00 0.00 C ATOM 415 CG GLU A 30 -7.804 5.003 -5.626 1.00 0.00 C ATOM 416 CD GLU A 30 -8.232 6.367 -5.079 1.00 0.00 C ATOM 417 OE1 GLU A 30 -8.224 6.508 -3.837 1.00 0.00 O ATOM 418 OE2 GLU A 30 -8.559 7.236 -5.916 1.00 0.00 O ATOM 0 H GLU A 30 -7.371 3.061 -2.802 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.452 2.578 -5.571 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.767 4.758 -3.750 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.717 4.732 -5.153 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.466 5.110 -6.657 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.660 4.328 -5.640 1.00 0.00 H new ATOM 425 N VAL A 31 -4.403 2.599 -4.298 1.00 0.00 N ATOM 426 CA VAL A 31 -3.052 2.101 -4.496 1.00 0.00 C ATOM 427 C VAL A 31 -3.111 0.637 -4.935 1.00 0.00 C ATOM 428 O VAL A 31 -2.602 0.283 -5.998 1.00 0.00 O ATOM 429 CB VAL A 31 -2.226 2.311 -3.225 1.00 0.00 C ATOM 430 CG1 VAL A 31 -0.842 1.671 -3.358 1.00 0.00 C ATOM 431 CG2 VAL A 31 -2.112 3.798 -2.884 1.00 0.00 C ATOM 0 H VAL A 31 -4.520 3.203 -3.485 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.552 2.658 -5.289 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.745 1.818 -2.403 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.276 1.835 -2.441 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.951 0.600 -3.530 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.312 2.121 -4.197 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.520 3.919 -1.977 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.627 4.324 -3.706 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.108 4.212 -2.726 1.00 0.00 H new ATOM 441 N THR A 32 -3.738 -0.175 -4.096 1.00 0.00 N ATOM 442 CA THR A 32 -3.870 -1.593 -4.385 1.00 0.00 C ATOM 443 C THR A 32 -4.515 -1.799 -5.757 1.00 0.00 C ATOM 444 O THR A 32 -4.069 -2.640 -6.537 1.00 0.00 O ATOM 445 CB THR A 32 -4.656 -2.237 -3.242 1.00 0.00 C ATOM 446 OG1 THR A 32 -5.897 -1.536 -3.235 1.00 0.00 O ATOM 447 CG2 THR A 32 -4.049 -1.933 -1.870 1.00 0.00 C ATOM 0 H THR A 32 -4.160 0.122 -3.216 1.00 0.00 H new ATOM 0 HA THR A 32 -2.895 -2.078 -4.442 1.00 0.00 H new ATOM 0 HB THR A 32 -4.695 -3.316 -3.391 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.848 -0.790 -2.601 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.645 -2.413 -1.094 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.028 -2.313 -1.831 1.00 0.00 H new ATOM 0 HG23 THR A 32 -4.041 -0.855 -1.706 1.00 0.00 H new ATOM 455 N ARG A 33 -5.554 -1.018 -6.011 1.00 0.00 N ATOM 456 CA ARG A 33 -6.265 -1.104 -7.275 1.00 0.00 C ATOM 457 C ARG A 33 -5.289 -0.954 -8.444 1.00 0.00 C ATOM 458 O ARG A 33 -5.187 -1.840 -9.291 1.00 0.00 O ATOM 459 CB ARG A 33 -7.343 -0.023 -7.377 1.00 0.00 C ATOM 460 CG ARG A 33 -8.583 -0.551 -8.100 1.00 0.00 C ATOM 461 CD ARG A 33 -8.853 0.244 -9.379 1.00 0.00 C ATOM 462 NE ARG A 33 -10.111 -0.218 -10.007 1.00 0.00 N ATOM 463 CZ ARG A 33 -11.333 0.068 -9.538 1.00 0.00 C ATOM 464 NH1 ARG A 33 -11.470 0.817 -8.435 1.00 0.00 N ATOM 465 NH2 ARG A 33 -12.419 -0.394 -10.173 1.00 0.00 N ATOM 0 H ARG A 33 -5.921 -0.322 -5.362 1.00 0.00 H new ATOM 0 HA ARG A 33 -6.744 -2.082 -7.320 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.617 0.317 -6.378 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.947 0.841 -7.911 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -8.445 -1.604 -8.345 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.448 -0.488 -7.439 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.921 1.307 -9.148 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -8.023 0.121 -10.075 1.00 0.00 H new ATOM 0 HE ARG A 33 -10.043 -0.790 -10.849 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -10.644 1.170 -7.952 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.401 1.034 -8.078 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -12.315 -0.963 -11.013 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -13.349 -0.176 -9.816 1.00 0.00 H new ATOM 479 N ILE A 34 -4.596 0.176 -8.453 1.00 0.00 N ATOM 480 CA ILE A 34 -3.632 0.454 -9.504 1.00 0.00 C ATOM 481 C ILE A 34 -2.621 -0.691 -9.579 1.00 0.00 C ATOM 482 O ILE A 34 -2.375 -1.238 -10.653 1.00 0.00 O ATOM 483 CB ILE A 34 -2.992 1.827 -9.293 1.00 0.00 C ATOM 484 CG1 ILE A 34 -4.055 2.926 -9.237 1.00 0.00 C ATOM 485 CG2 ILE A 34 -1.933 2.109 -10.362 1.00 0.00 C ATOM 486 CD1 ILE A 34 -3.965 3.710 -7.926 1.00 0.00 C ATOM 0 H ILE A 34 -4.683 0.909 -7.749 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.128 0.505 -10.473 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.484 1.821 -8.329 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.926 3.605 -10.080 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.046 2.483 -9.333 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.494 3.091 -10.189 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.153 1.349 -10.311 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.397 2.088 -11.348 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.731 4.485 -7.912 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.118 3.033 -7.086 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.981 4.172 -7.845 1.00 0.00 H new ATOM 498 N LEU A 35 -2.062 -1.021 -8.424 1.00 0.00 N ATOM 499 CA LEU A 35 -1.083 -2.091 -8.345 1.00 0.00 C ATOM 500 C LEU A 35 -1.656 -3.351 -8.997 1.00 0.00 C ATOM 501 O LEU A 35 -0.956 -4.050 -9.728 1.00 0.00 O ATOM 502 CB LEU A 35 -0.632 -2.300 -6.897 1.00 0.00 C ATOM 503 CG LEU A 35 0.321 -1.244 -6.333 1.00 0.00 C ATOM 504 CD1 LEU A 35 0.586 -1.483 -4.845 1.00 0.00 C ATOM 505 CD2 LEU A 35 1.617 -1.185 -7.144 1.00 0.00 C ATOM 0 H LEU A 35 -2.269 -0.566 -7.535 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.184 -1.825 -8.900 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.518 -2.337 -6.263 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.147 -3.274 -6.825 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.159 -0.269 -6.422 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.266 -0.719 -4.469 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.354 -1.434 -4.296 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.035 -2.467 -4.709 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.276 -0.427 -6.722 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.112 -2.156 -7.110 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.387 -0.931 -8.179 1.00 0.00 H new ATOM 517 N ASP A 36 -2.925 -3.602 -8.710 1.00 0.00 N ATOM 518 CA ASP A 36 -3.601 -4.764 -9.260 1.00 0.00 C ATOM 519 C ASP A 36 -3.561 -4.697 -10.788 1.00 0.00 C ATOM 520 O ASP A 36 -3.275 -5.694 -11.449 1.00 0.00 O ATOM 521 CB ASP A 36 -5.068 -4.805 -8.827 1.00 0.00 C ATOM 522 CG ASP A 36 -5.418 -5.910 -7.829 1.00 0.00 C ATOM 523 OD1 ASP A 36 -4.749 -6.965 -7.893 1.00 0.00 O ATOM 524 OD2 ASP A 36 -6.345 -5.676 -7.025 1.00 0.00 O ATOM 0 H ASP A 36 -3.503 -3.020 -8.103 1.00 0.00 H new ATOM 0 HA ASP A 36 -3.092 -5.655 -8.892 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.328 -3.843 -8.386 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.690 -4.927 -9.714 1.00 0.00 H new ATOM 529 N GLY A 37 -3.851 -3.512 -11.304 1.00 0.00 N ATOM 530 CA GLY A 37 -3.851 -3.302 -12.742 1.00 0.00 C ATOM 531 C GLY A 37 -2.430 -3.358 -13.305 1.00 0.00 C ATOM 532 O GLY A 37 -2.195 -3.962 -14.350 1.00 0.00 O ATOM 0 H GLY A 37 -4.088 -2.687 -10.752 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.467 -4.061 -13.224 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.299 -2.335 -12.972 1.00 0.00 H new ATOM 536 N LYS A 38 -1.517 -2.719 -12.586 1.00 0.00 N ATOM 537 CA LYS A 38 -0.125 -2.689 -13.001 1.00 0.00 C ATOM 538 C LYS A 38 0.435 -4.113 -12.997 1.00 0.00 C ATOM 539 O LYS A 38 1.490 -4.370 -13.574 1.00 0.00 O ATOM 540 CB LYS A 38 0.671 -1.713 -12.132 1.00 0.00 C ATOM 541 CG LYS A 38 0.174 -0.279 -12.322 1.00 0.00 C ATOM 542 CD LYS A 38 1.318 0.648 -12.740 1.00 0.00 C ATOM 543 CE LYS A 38 0.949 2.114 -12.505 1.00 0.00 C ATOM 544 NZ LYS A 38 0.959 2.861 -13.783 1.00 0.00 N ATOM 0 H LYS A 38 -1.715 -2.219 -11.719 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.039 -2.315 -14.021 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.581 -1.997 -11.084 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.729 -1.772 -12.388 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.610 -0.259 -13.079 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.270 0.081 -11.394 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.217 0.400 -12.175 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.551 0.492 -13.793 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -0.038 2.178 -12.047 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.654 2.566 -11.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.707 3.854 -13.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.909 2.815 -14.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.269 2.439 -14.437 1.00 0.00 H new ATOM 558 N ARG A 39 -0.297 -5.001 -12.341 1.00 0.00 N ATOM 559 CA ARG A 39 0.113 -6.392 -12.255 1.00 0.00 C ATOM 560 C ARG A 39 1.454 -6.506 -11.527 1.00 0.00 C ATOM 561 O ARG A 39 2.310 -7.300 -11.916 1.00 0.00 O ATOM 562 CB ARG A 39 0.241 -7.016 -13.646 1.00 0.00 C ATOM 563 CG ARG A 39 -1.126 -7.125 -14.326 1.00 0.00 C ATOM 564 CD ARG A 39 -1.791 -8.465 -14.007 1.00 0.00 C ATOM 565 NE ARG A 39 -2.776 -8.294 -12.915 1.00 0.00 N ATOM 566 CZ ARG A 39 -3.210 -9.291 -12.132 1.00 0.00 C ATOM 567 NH1 ARG A 39 -2.750 -10.536 -12.315 1.00 0.00 N ATOM 568 NH2 ARG A 39 -4.105 -9.043 -11.166 1.00 0.00 N ATOM 0 H ARG A 39 -1.172 -4.784 -11.864 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.654 -6.930 -11.698 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.909 -6.412 -14.260 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.691 -8.006 -13.565 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.767 -6.308 -13.994 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.009 -7.021 -15.405 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.286 -8.856 -14.896 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.036 -9.195 -13.716 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.147 -7.359 -12.748 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.069 -10.725 -13.051 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.081 -11.295 -11.719 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -4.456 -8.095 -11.027 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -4.435 -9.802 -10.570 1.00 0.00 H new ATOM 582 N ILE A 40 1.595 -5.701 -10.484 1.00 0.00 N ATOM 583 CA ILE A 40 2.818 -5.702 -9.699 1.00 0.00 C ATOM 584 C ILE A 40 2.682 -6.705 -8.552 1.00 0.00 C ATOM 585 O ILE A 40 1.636 -6.780 -7.909 1.00 0.00 O ATOM 586 CB ILE A 40 3.159 -4.283 -9.238 1.00 0.00 C ATOM 587 CG1 ILE A 40 3.537 -3.396 -10.426 1.00 0.00 C ATOM 588 CG2 ILE A 40 4.251 -4.303 -8.166 1.00 0.00 C ATOM 589 CD1 ILE A 40 3.693 -1.937 -9.994 1.00 0.00 C ATOM 0 H ILE A 40 0.883 -5.044 -10.164 1.00 0.00 H new ATOM 0 HA ILE A 40 3.662 -6.027 -10.308 1.00 0.00 H new ATOM 0 HB ILE A 40 2.269 -3.848 -8.783 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.469 -3.750 -10.867 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.771 -3.470 -11.198 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.475 -3.282 -7.856 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.906 -4.877 -7.306 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.151 -4.764 -8.572 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.962 -1.329 -10.858 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.752 -1.579 -9.576 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.476 -1.863 -9.240 1.00 0.00 H new ATOM 601 N GLN A 41 3.754 -7.451 -8.330 1.00 0.00 N ATOM 602 CA GLN A 41 3.767 -8.446 -7.272 1.00 0.00 C ATOM 603 C GLN A 41 4.013 -7.778 -5.918 1.00 0.00 C ATOM 604 O GLN A 41 5.110 -7.287 -5.654 1.00 0.00 O ATOM 605 CB GLN A 41 4.814 -9.527 -7.549 1.00 0.00 C ATOM 606 CG GLN A 41 4.151 -10.886 -7.784 1.00 0.00 C ATOM 607 CD GLN A 41 4.348 -11.808 -6.579 1.00 0.00 C ATOM 608 OE1 GLN A 41 5.367 -11.786 -5.908 1.00 0.00 O ATOM 609 NE2 GLN A 41 3.320 -12.618 -6.344 1.00 0.00 N ATOM 0 H GLN A 41 4.620 -7.386 -8.865 1.00 0.00 H new ATOM 0 HA GLN A 41 2.791 -8.931 -7.244 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.405 -9.251 -8.422 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.503 -9.595 -6.707 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.086 -10.748 -7.970 1.00 0.00 H new ATOM 0 HG3 GLN A 41 4.573 -11.351 -8.675 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.497 -12.585 -6.945 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.355 -13.273 -5.563 1.00 0.00 H new ATOM 618 N TYR A 42 2.975 -7.782 -5.094 1.00 0.00 N ATOM 619 CA TYR A 42 3.065 -7.182 -3.774 1.00 0.00 C ATOM 620 C TYR A 42 2.231 -7.964 -2.758 1.00 0.00 C ATOM 621 O TYR A 42 1.485 -8.870 -3.128 1.00 0.00 O ATOM 622 CB TYR A 42 2.489 -5.771 -3.911 1.00 0.00 C ATOM 623 CG TYR A 42 0.961 -5.727 -3.972 1.00 0.00 C ATOM 624 CD1 TYR A 42 0.219 -5.891 -2.820 1.00 0.00 C ATOM 625 CD2 TYR A 42 0.324 -5.523 -5.179 1.00 0.00 C ATOM 626 CE1 TYR A 42 -1.219 -5.849 -2.877 1.00 0.00 C ATOM 627 CE2 TYR A 42 -1.114 -5.481 -5.237 1.00 0.00 C ATOM 628 CZ TYR A 42 -1.815 -5.646 -4.083 1.00 0.00 C ATOM 629 OH TYR A 42 -3.173 -5.607 -4.137 1.00 0.00 O ATOM 0 H TYR A 42 2.067 -8.191 -5.315 1.00 0.00 H new ATOM 0 HA TYR A 42 4.097 -7.180 -3.424 1.00 0.00 H new ATOM 0 HB2 TYR A 42 2.826 -5.168 -3.068 1.00 0.00 H new ATOM 0 HB3 TYR A 42 2.892 -5.311 -4.813 1.00 0.00 H new ATOM 0 HD1 TYR A 42 0.717 -6.051 -1.875 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.904 -5.395 -6.081 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -1.811 -5.976 -1.983 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -1.624 -5.322 -6.175 1.00 0.00 H new ATOM 0 HH TYR A 42 -3.459 -5.454 -5.062 1.00 0.00 H new ATOM 639 N GLN A 43 2.385 -7.587 -1.497 1.00 0.00 N ATOM 640 CA GLN A 43 1.655 -8.242 -0.426 1.00 0.00 C ATOM 641 C GLN A 43 1.036 -7.201 0.509 1.00 0.00 C ATOM 642 O GLN A 43 1.727 -6.304 0.990 1.00 0.00 O ATOM 643 CB GLN A 43 2.560 -9.203 0.347 1.00 0.00 C ATOM 644 CG GLN A 43 1.757 -10.371 0.923 1.00 0.00 C ATOM 645 CD GLN A 43 2.670 -11.551 1.260 1.00 0.00 C ATOM 646 OE1 GLN A 43 3.059 -12.332 0.408 1.00 0.00 O ATOM 647 NE2 GLN A 43 2.989 -11.637 2.549 1.00 0.00 N ATOM 0 H GLN A 43 3.005 -6.836 -1.193 1.00 0.00 H new ATOM 0 HA GLN A 43 0.850 -8.829 -0.868 1.00 0.00 H new ATOM 0 HB2 GLN A 43 3.340 -9.584 -0.313 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.059 -8.667 1.154 1.00 0.00 H new ATOM 0 HG2 GLN A 43 1.230 -10.047 1.820 1.00 0.00 H new ATOM 0 HG3 GLN A 43 1.000 -10.686 0.205 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.629 -10.949 3.211 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.594 -12.391 2.876 1.00 0.00 H new ATOM 656 N LEU A 44 -0.260 -7.354 0.738 1.00 0.00 N ATOM 657 CA LEU A 44 -0.980 -6.438 1.606 1.00 0.00 C ATOM 658 C LEU A 44 -0.610 -6.725 3.062 1.00 0.00 C ATOM 659 O LEU A 44 -0.941 -7.784 3.594 1.00 0.00 O ATOM 660 CB LEU A 44 -2.483 -6.507 1.329 1.00 0.00 C ATOM 661 CG LEU A 44 -3.204 -5.163 1.201 1.00 0.00 C ATOM 662 CD1 LEU A 44 -3.721 -4.951 -0.223 1.00 0.00 C ATOM 663 CD2 LEU A 44 -4.320 -5.039 2.241 1.00 0.00 C ATOM 0 H LEU A 44 -0.830 -8.099 0.337 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.688 -5.408 1.399 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.637 -7.069 0.408 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.954 -7.075 2.131 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.485 -4.369 1.403 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.229 -3.989 -0.286 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.883 -4.965 -0.920 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.420 -5.748 -0.479 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.817 -4.075 2.129 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.045 -5.840 2.094 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.895 -5.114 3.242 1.00 0.00 H new ATOM 675 N VAL A 45 0.072 -5.764 3.667 1.00 0.00 N ATOM 676 CA VAL A 45 0.491 -5.900 5.052 1.00 0.00 C ATOM 677 C VAL A 45 -0.422 -5.054 5.942 1.00 0.00 C ATOM 678 O VAL A 45 -0.241 -3.842 6.049 1.00 0.00 O ATOM 679 CB VAL A 45 1.969 -5.531 5.190 1.00 0.00 C ATOM 680 CG1 VAL A 45 2.408 -5.563 6.655 1.00 0.00 C ATOM 681 CG2 VAL A 45 2.845 -6.449 4.335 1.00 0.00 C ATOM 0 H VAL A 45 0.345 -4.887 3.223 1.00 0.00 H new ATOM 0 HA VAL A 45 0.396 -6.935 5.380 1.00 0.00 H new ATOM 0 HB VAL A 45 2.095 -4.512 4.825 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.463 -5.297 6.725 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.815 -4.850 7.228 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.259 -6.565 7.058 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.891 -6.165 4.451 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.711 -7.482 4.656 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.558 -6.354 3.288 1.00 0.00 H new ATOM 691 N ASP A 46 -1.383 -5.726 6.558 1.00 0.00 N ATOM 692 CA ASP A 46 -2.325 -5.052 7.435 1.00 0.00 C ATOM 693 C ASP A 46 -1.610 -4.641 8.724 1.00 0.00 C ATOM 694 O ASP A 46 -1.282 -5.489 9.553 1.00 0.00 O ATOM 695 CB ASP A 46 -3.485 -5.974 7.812 1.00 0.00 C ATOM 696 CG ASP A 46 -4.452 -5.407 8.853 1.00 0.00 C ATOM 697 OD1 ASP A 46 -4.096 -4.367 9.449 1.00 0.00 O ATOM 698 OD2 ASP A 46 -5.523 -6.025 9.030 1.00 0.00 O ATOM 0 H ASP A 46 -1.530 -6.731 6.467 1.00 0.00 H new ATOM 0 HA ASP A 46 -2.714 -4.182 6.906 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -4.047 -6.213 6.909 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -3.076 -6.911 8.191 1.00 0.00 H new ATOM 703 N ILE A 47 -1.390 -3.341 8.852 1.00 0.00 N ATOM 704 CA ILE A 47 -0.720 -2.808 10.026 1.00 0.00 C ATOM 705 C ILE A 47 -1.572 -3.087 11.266 1.00 0.00 C ATOM 706 O ILE A 47 -1.067 -3.582 12.273 1.00 0.00 O ATOM 707 CB ILE A 47 -0.389 -1.327 9.829 1.00 0.00 C ATOM 708 CG1 ILE A 47 -1.651 -0.467 9.916 1.00 0.00 C ATOM 709 CG2 ILE A 47 0.367 -1.105 8.517 1.00 0.00 C ATOM 710 CD1 ILE A 47 -1.331 1.005 9.652 1.00 0.00 C ATOM 0 H ILE A 47 -1.664 -2.641 8.162 1.00 0.00 H new ATOM 0 HA ILE A 47 0.237 -3.308 10.177 1.00 0.00 H new ATOM 0 HB ILE A 47 0.270 -1.013 10.638 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.386 -0.819 9.192 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.101 -0.574 10.903 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.590 -0.044 8.401 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.298 -1.672 8.533 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.248 -1.440 7.682 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.246 1.594 9.720 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.615 1.360 10.393 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.904 1.111 8.655 1.00 0.00 H new ATOM 722 N SER A 48 -2.851 -2.759 11.152 1.00 0.00 N ATOM 723 CA SER A 48 -3.778 -2.969 12.250 1.00 0.00 C ATOM 724 C SER A 48 -3.526 -4.333 12.895 1.00 0.00 C ATOM 725 O SER A 48 -3.355 -4.427 14.110 1.00 0.00 O ATOM 726 CB SER A 48 -5.228 -2.867 11.774 1.00 0.00 C ATOM 727 OG SER A 48 -6.038 -3.915 12.300 1.00 0.00 O ATOM 0 H SER A 48 -3.267 -2.349 10.315 1.00 0.00 H new ATOM 0 HA SER A 48 -3.612 -2.188 12.991 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.641 -1.904 12.074 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.255 -2.900 10.685 1.00 0.00 H new ATOM 0 HG SER A 48 -6.957 -3.813 11.974 1.00 0.00 H new ATOM 733 N GLN A 49 -3.510 -5.356 12.053 1.00 0.00 N ATOM 734 CA GLN A 49 -3.282 -6.711 12.526 1.00 0.00 C ATOM 735 C GLN A 49 -2.226 -6.715 13.633 1.00 0.00 C ATOM 736 O GLN A 49 -2.502 -7.131 14.758 1.00 0.00 O ATOM 737 CB GLN A 49 -2.873 -7.632 11.375 1.00 0.00 C ATOM 738 CG GLN A 49 -4.067 -8.449 10.877 1.00 0.00 C ATOM 739 CD GLN A 49 -4.317 -9.659 11.780 1.00 0.00 C ATOM 740 OE1 GLN A 49 -4.999 -9.583 12.788 1.00 0.00 O ATOM 741 NE2 GLN A 49 -3.729 -10.777 11.362 1.00 0.00 N ATOM 0 H GLN A 49 -3.651 -5.274 11.046 1.00 0.00 H new ATOM 0 HA GLN A 49 -4.216 -7.093 12.939 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.467 -7.038 10.556 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.081 -8.303 11.706 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.957 -7.820 10.850 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.883 -8.784 9.856 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.171 -10.771 10.508 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.836 -11.640 11.895 1.00 0.00 H new ATOM 750 N ASP A 50 -1.038 -6.249 13.276 1.00 0.00 N ATOM 751 CA ASP A 50 0.061 -6.194 14.226 1.00 0.00 C ATOM 752 C ASP A 50 0.432 -4.732 14.486 1.00 0.00 C ATOM 753 O ASP A 50 0.906 -4.039 13.587 1.00 0.00 O ATOM 754 CB ASP A 50 1.299 -6.905 13.676 1.00 0.00 C ATOM 755 CG ASP A 50 1.959 -7.892 14.642 1.00 0.00 C ATOM 756 OD1 ASP A 50 1.417 -9.011 14.767 1.00 0.00 O ATOM 757 OD2 ASP A 50 2.990 -7.505 15.232 1.00 0.00 O ATOM 0 H ASP A 50 -0.812 -5.906 12.342 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.261 -6.687 15.144 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.019 -7.440 12.768 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.034 -6.153 13.389 1.00 0.00 H new ATOM 762 N ASN A 51 0.202 -4.308 15.719 1.00 0.00 N ATOM 763 CA ASN A 51 0.506 -2.941 16.109 1.00 0.00 C ATOM 764 C ASN A 51 1.947 -2.612 15.715 1.00 0.00 C ATOM 765 O ASN A 51 2.234 -1.502 15.267 1.00 0.00 O ATOM 766 CB ASN A 51 0.376 -2.758 17.623 1.00 0.00 C ATOM 767 CG ASN A 51 1.149 -3.844 18.374 1.00 0.00 C ATOM 768 OD1 ASN A 51 2.334 -3.727 18.640 1.00 0.00 O ATOM 769 ND2 ASN A 51 0.415 -4.903 18.701 1.00 0.00 N ATOM 0 H ASN A 51 -0.191 -4.886 16.462 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.200 -2.281 15.604 1.00 0.00 H new ATOM 0 HB2 ASN A 51 0.752 -1.776 17.908 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -0.675 -2.792 17.908 1.00 0.00 H new ATOM 0 HD21 ASN A 51 0.839 -5.682 19.205 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -0.572 -4.937 18.448 1.00 0.00 H new ATOM 776 N ALA A 52 2.816 -3.595 15.896 1.00 0.00 N ATOM 777 CA ALA A 52 4.220 -3.424 15.564 1.00 0.00 C ATOM 778 C ALA A 52 4.338 -2.783 14.180 1.00 0.00 C ATOM 779 O ALA A 52 5.031 -1.780 14.014 1.00 0.00 O ATOM 780 CB ALA A 52 4.932 -4.776 15.644 1.00 0.00 C ATOM 0 H ALA A 52 2.575 -4.513 16.269 1.00 0.00 H new ATOM 0 HA ALA A 52 4.705 -2.758 16.278 1.00 0.00 H new ATOM 0 HB1 ALA A 52 5.985 -4.648 15.395 1.00 0.00 H new ATOM 0 HB2 ALA A 52 4.844 -5.174 16.655 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.474 -5.470 14.939 1.00 0.00 H new ATOM 786 N LEU A 53 3.652 -3.389 13.222 1.00 0.00 N ATOM 787 CA LEU A 53 3.672 -2.890 11.858 1.00 0.00 C ATOM 788 C LEU A 53 3.533 -1.367 11.874 1.00 0.00 C ATOM 789 O LEU A 53 4.377 -0.657 11.329 1.00 0.00 O ATOM 790 CB LEU A 53 2.608 -3.595 11.014 1.00 0.00 C ATOM 791 CG LEU A 53 2.862 -5.074 10.713 1.00 0.00 C ATOM 792 CD1 LEU A 53 1.552 -5.865 10.707 1.00 0.00 C ATOM 793 CD2 LEU A 53 3.640 -5.242 9.407 1.00 0.00 C ATOM 0 H LEU A 53 3.079 -4.221 13.364 1.00 0.00 H new ATOM 0 HA LEU A 53 4.626 -3.118 11.383 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.650 -3.508 11.526 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.512 -3.063 10.067 1.00 0.00 H new ATOM 0 HG LEU A 53 3.481 -5.484 11.511 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.761 -6.913 10.491 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.074 -5.784 11.683 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.887 -5.462 9.943 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.807 -6.302 9.217 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.068 -4.812 8.585 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.600 -4.732 9.487 1.00 0.00 H new ATOM 805 N ARG A 54 2.462 -0.909 12.506 1.00 0.00 N ATOM 806 CA ARG A 54 2.202 0.518 12.601 1.00 0.00 C ATOM 807 C ARG A 54 3.511 1.283 12.808 1.00 0.00 C ATOM 808 O ARG A 54 3.742 2.308 12.168 1.00 0.00 O ATOM 809 CB ARG A 54 1.250 0.828 13.757 1.00 0.00 C ATOM 810 CG ARG A 54 0.545 2.170 13.542 1.00 0.00 C ATOM 811 CD ARG A 54 -0.819 2.190 14.234 1.00 0.00 C ATOM 812 NE ARG A 54 -1.789 2.953 13.418 1.00 0.00 N ATOM 813 CZ ARG A 54 -2.984 3.366 13.863 1.00 0.00 C ATOM 814 NH1 ARG A 54 -3.363 3.092 15.119 1.00 0.00 N ATOM 815 NH2 ARG A 54 -3.800 4.053 13.052 1.00 0.00 N ATOM 0 H ARG A 54 1.764 -1.501 12.957 1.00 0.00 H new ATOM 0 HA ARG A 54 1.736 0.834 11.667 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.509 0.034 13.845 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.806 0.851 14.694 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.166 2.977 13.931 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.418 2.351 12.475 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.177 1.171 14.380 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.728 2.641 15.222 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.532 3.179 12.457 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.742 2.569 15.737 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.272 3.406 15.457 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.512 4.262 12.096 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -4.709 4.367 13.391 1.00 0.00 H new ATOM 829 N ASP A 55 4.333 0.756 13.704 1.00 0.00 N ATOM 830 CA ASP A 55 5.612 1.377 14.002 1.00 0.00 C ATOM 831 C ASP A 55 6.593 1.086 12.865 1.00 0.00 C ATOM 832 O ASP A 55 7.124 2.008 12.247 1.00 0.00 O ATOM 833 CB ASP A 55 6.207 0.817 15.296 1.00 0.00 C ATOM 834 CG ASP A 55 7.202 1.739 16.002 1.00 0.00 C ATOM 835 OD1 ASP A 55 7.497 2.807 15.422 1.00 0.00 O ATOM 836 OD2 ASP A 55 7.647 1.356 17.106 1.00 0.00 O ATOM 0 H ASP A 55 4.138 -0.094 14.233 1.00 0.00 H new ATOM 0 HA ASP A 55 5.449 2.449 14.114 1.00 0.00 H new ATOM 0 HB2 ASP A 55 5.393 0.591 15.984 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.705 -0.126 15.071 1.00 0.00 H new ATOM 841 N GLU A 56 6.805 -0.200 12.624 1.00 0.00 N ATOM 842 CA GLU A 56 7.714 -0.624 11.572 1.00 0.00 C ATOM 843 C GLU A 56 7.539 0.257 10.333 1.00 0.00 C ATOM 844 O GLU A 56 8.519 0.654 9.706 1.00 0.00 O ATOM 845 CB GLU A 56 7.505 -2.100 11.230 1.00 0.00 C ATOM 846 CG GLU A 56 8.576 -2.972 11.888 1.00 0.00 C ATOM 847 CD GLU A 56 8.162 -3.374 13.305 1.00 0.00 C ATOM 848 OE1 GLU A 56 7.245 -4.217 13.411 1.00 0.00 O ATOM 849 OE2 GLU A 56 8.771 -2.829 14.251 1.00 0.00 O ATOM 0 H GLU A 56 6.363 -0.962 13.139 1.00 0.00 H new ATOM 0 HA GLU A 56 8.736 -0.510 11.933 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.517 -2.418 11.563 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.535 -2.234 10.149 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.742 -3.866 11.287 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.521 -2.430 11.921 1.00 0.00 H new ATOM 856 N MET A 57 6.282 0.535 10.017 1.00 0.00 N ATOM 857 CA MET A 57 5.966 1.361 8.864 1.00 0.00 C ATOM 858 C MET A 57 6.461 2.794 9.064 1.00 0.00 C ATOM 859 O MET A 57 7.212 3.316 8.240 1.00 0.00 O ATOM 860 CB MET A 57 4.453 1.369 8.641 1.00 0.00 C ATOM 861 CG MET A 57 4.097 2.041 7.313 1.00 0.00 C ATOM 862 SD MET A 57 4.145 3.816 7.495 1.00 0.00 S ATOM 863 CE MET A 57 2.690 4.064 8.499 1.00 0.00 C ATOM 0 H MET A 57 5.471 0.203 10.539 1.00 0.00 H new ATOM 0 HA MET A 57 6.468 0.942 7.992 1.00 0.00 H new ATOM 0 HB2 MET A 57 4.076 0.346 8.648 1.00 0.00 H new ATOM 0 HB3 MET A 57 3.964 1.895 9.461 1.00 0.00 H new ATOM 0 HG2 MET A 57 4.797 1.728 6.538 1.00 0.00 H new ATOM 0 HG3 MET A 57 3.104 1.727 6.992 1.00 0.00 H new ATOM 0 HE1 MET A 57 2.261 5.042 8.283 1.00 0.00 H new ATOM 0 HE2 MET A 57 1.957 3.289 8.275 1.00 0.00 H new ATOM 0 HE3 MET A 57 2.962 4.012 9.553 1.00 0.00 H new ATOM 873 N ARG A 58 6.022 3.390 10.162 1.00 0.00 N ATOM 874 CA ARG A 58 6.411 4.754 10.481 1.00 0.00 C ATOM 875 C ARG A 58 7.923 4.925 10.323 1.00 0.00 C ATOM 876 O ARG A 58 8.381 5.884 9.705 1.00 0.00 O ATOM 877 CB ARG A 58 6.009 5.121 11.911 1.00 0.00 C ATOM 878 CG ARG A 58 4.587 5.684 11.954 1.00 0.00 C ATOM 879 CD ARG A 58 3.753 4.985 13.030 1.00 0.00 C ATOM 880 NE ARG A 58 2.416 4.648 12.493 1.00 0.00 N ATOM 881 CZ ARG A 58 1.403 5.519 12.398 1.00 0.00 C ATOM 882 NH1 ARG A 58 1.568 6.786 12.803 1.00 0.00 N ATOM 883 NH2 ARG A 58 0.224 5.125 11.899 1.00 0.00 N ATOM 0 H ARG A 58 5.400 2.954 10.843 1.00 0.00 H new ATOM 0 HA ARG A 58 5.893 5.418 9.789 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.074 4.239 12.548 1.00 0.00 H new ATOM 0 HB3 ARG A 58 6.707 5.856 12.311 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.622 6.755 12.154 1.00 0.00 H new ATOM 0 HG3 ARG A 58 4.112 5.557 10.981 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.259 4.079 13.363 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.652 5.632 13.901 1.00 0.00 H new ATOM 0 HE ARG A 58 2.256 3.692 12.175 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.465 7.087 13.184 1.00 0.00 H new ATOM 0 HH12 ARG A 58 0.796 7.449 12.731 1.00 0.00 H new ATOM 0 HH21 ARG A 58 0.097 4.161 11.591 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.547 5.789 11.827 1.00 0.00 H new ATOM 897 N THR A 59 8.656 3.979 10.892 1.00 0.00 N ATOM 898 CA THR A 59 10.107 4.013 10.822 1.00 0.00 C ATOM 899 C THR A 59 10.572 3.969 9.365 1.00 0.00 C ATOM 900 O THR A 59 11.353 4.816 8.934 1.00 0.00 O ATOM 901 CB THR A 59 10.648 2.858 11.668 1.00 0.00 C ATOM 902 OG1 THR A 59 10.657 3.375 12.996 1.00 0.00 O ATOM 903 CG2 THR A 59 12.120 2.558 11.375 1.00 0.00 C ATOM 0 H THR A 59 8.272 3.184 11.403 1.00 0.00 H new ATOM 0 HA THR A 59 10.501 4.945 11.228 1.00 0.00 H new ATOM 0 HB THR A 59 10.052 1.964 11.486 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.993 2.690 13.611 1.00 0.00 H new ATOM 0 HG21 THR A 59 12.454 1.731 12.001 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.234 2.288 10.325 1.00 0.00 H new ATOM 0 HG23 THR A 59 12.721 3.442 11.590 1.00 0.00 H new ATOM 911 N LEU A 60 10.072 2.974 8.648 1.00 0.00 N ATOM 912 CA LEU A 60 10.426 2.809 7.248 1.00 0.00 C ATOM 913 C LEU A 60 10.144 4.112 6.498 1.00 0.00 C ATOM 914 O LEU A 60 11.013 4.631 5.799 1.00 0.00 O ATOM 915 CB LEU A 60 9.714 1.592 6.655 1.00 0.00 C ATOM 916 CG LEU A 60 10.181 0.227 7.166 1.00 0.00 C ATOM 917 CD1 LEU A 60 9.266 -0.890 6.660 1.00 0.00 C ATOM 918 CD2 LEU A 60 11.646 -0.023 6.802 1.00 0.00 C ATOM 0 H LEU A 60 9.425 2.274 9.010 1.00 0.00 H new ATOM 0 HA LEU A 60 11.492 2.606 7.146 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.647 1.687 6.855 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.839 1.615 5.572 1.00 0.00 H new ATOM 0 HG LEU A 60 10.116 0.229 8.254 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.620 -1.849 7.037 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.249 -0.715 7.011 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.276 -0.903 5.570 1.00 0.00 H new ATOM 0 HD21 LEU A 60 11.952 -1.000 7.177 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.761 0.002 5.718 1.00 0.00 H new ATOM 0 HD23 LEU A 60 12.270 0.750 7.251 1.00 0.00 H new ATOM 930 N ALA A 61 8.926 4.604 6.669 1.00 0.00 N ATOM 931 CA ALA A 61 8.519 5.837 6.017 1.00 0.00 C ATOM 932 C ALA A 61 9.436 6.975 6.468 1.00 0.00 C ATOM 933 O ALA A 61 9.847 7.804 5.657 1.00 0.00 O ATOM 934 CB ALA A 61 7.047 6.117 6.327 1.00 0.00 C ATOM 0 H ALA A 61 8.208 4.171 7.250 1.00 0.00 H new ATOM 0 HA ALA A 61 8.613 5.747 4.935 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.742 7.042 5.838 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.435 5.293 5.960 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.914 6.215 7.404 1.00 0.00 H new ATOM 940 N GLY A 62 9.731 6.978 7.759 1.00 0.00 N ATOM 941 CA GLY A 62 10.592 8.001 8.328 1.00 0.00 C ATOM 942 C GLY A 62 9.772 9.062 9.064 1.00 0.00 C ATOM 943 O GLY A 62 10.149 10.232 9.096 1.00 0.00 O ATOM 0 H GLY A 62 9.389 6.288 8.428 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.301 7.542 9.017 1.00 0.00 H new ATOM 0 HA3 GLY A 62 11.175 8.472 7.537 1.00 0.00 H new ATOM 947 N ASN A 63 8.664 8.615 9.638 1.00 0.00 N ATOM 948 CA ASN A 63 7.787 9.512 10.371 1.00 0.00 C ATOM 949 C ASN A 63 6.973 8.705 11.385 1.00 0.00 C ATOM 950 O ASN A 63 6.412 7.664 11.048 1.00 0.00 O ATOM 951 CB ASN A 63 6.807 10.215 9.430 1.00 0.00 C ATOM 952 CG ASN A 63 6.498 11.632 9.920 1.00 0.00 C ATOM 953 OD1 ASN A 63 7.367 12.370 10.353 1.00 0.00 O ATOM 954 ND2 ASN A 63 5.215 11.968 9.828 1.00 0.00 N ATOM 0 H ASN A 63 8.354 7.644 9.610 1.00 0.00 H new ATOM 0 HA ASN A 63 8.407 10.258 10.869 1.00 0.00 H new ATOM 0 HB2 ASN A 63 7.228 10.257 8.426 1.00 0.00 H new ATOM 0 HB3 ASN A 63 5.884 9.639 9.364 1.00 0.00 H new ATOM 0 HD21 ASN A 63 4.907 12.892 10.130 1.00 0.00 H new ATOM 0 HD22 ASN A 63 4.539 11.301 9.456 1.00 0.00 H new ATOM 961 N PRO A 64 6.933 9.231 12.639 1.00 0.00 N ATOM 962 CA PRO A 64 6.197 8.571 13.704 1.00 0.00 C ATOM 963 C PRO A 64 4.690 8.772 13.534 1.00 0.00 C ATOM 964 O PRO A 64 3.899 7.906 13.905 1.00 0.00 O ATOM 965 CB PRO A 64 6.737 9.177 14.989 1.00 0.00 C ATOM 966 CG PRO A 64 7.415 10.476 14.584 1.00 0.00 C ATOM 967 CD PRO A 64 7.586 10.462 13.074 1.00 0.00 C ATOM 0 HA PRO A 64 6.332 7.489 13.702 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.933 9.362 15.702 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.443 8.502 15.473 1.00 0.00 H new ATOM 0 HG2 PRO A 64 6.815 11.332 14.892 1.00 0.00 H new ATOM 0 HG3 PRO A 64 8.383 10.571 15.077 1.00 0.00 H new ATOM 0 HD2 PRO A 64 7.127 11.338 12.615 1.00 0.00 H new ATOM 0 HD3 PRO A 64 8.640 10.472 12.795 1.00 0.00 H new ATOM 975 N LYS A 65 4.337 9.920 12.974 1.00 0.00 N ATOM 976 CA LYS A 65 2.939 10.246 12.751 1.00 0.00 C ATOM 977 C LYS A 65 2.592 10.005 11.280 1.00 0.00 C ATOM 978 O LYS A 65 2.017 10.872 10.624 1.00 0.00 O ATOM 979 CB LYS A 65 2.638 11.667 13.229 1.00 0.00 C ATOM 980 CG LYS A 65 2.906 11.810 14.729 1.00 0.00 C ATOM 981 CD LYS A 65 1.596 11.908 15.513 1.00 0.00 C ATOM 982 CE LYS A 65 1.144 10.529 15.999 1.00 0.00 C ATOM 983 NZ LYS A 65 0.025 10.659 16.959 1.00 0.00 N ATOM 0 H LYS A 65 4.996 10.636 12.668 1.00 0.00 H new ATOM 0 HA LYS A 65 2.296 9.593 13.342 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.253 12.378 12.677 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.598 11.913 13.017 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.482 10.955 15.082 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.510 12.699 14.911 1.00 0.00 H new ATOM 0 HD2 LYS A 65 1.728 12.573 16.366 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.823 12.347 14.883 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.833 9.921 15.149 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.979 10.012 16.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.270 9.714 17.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.334 11.221 17.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.776 11.133 16.496 1.00 0.00 H new ATOM 997 N ALA A 66 2.955 8.822 10.806 1.00 0.00 N ATOM 998 CA ALA A 66 2.690 8.456 9.425 1.00 0.00 C ATOM 999 C ALA A 66 1.369 7.687 9.351 1.00 0.00 C ATOM 1000 O ALA A 66 0.804 7.316 10.379 1.00 0.00 O ATOM 1001 CB ALA A 66 3.867 7.648 8.875 1.00 0.00 C ATOM 0 H ALA A 66 3.430 8.105 11.354 1.00 0.00 H new ATOM 0 HA ALA A 66 2.589 9.346 8.805 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.668 7.374 7.839 1.00 0.00 H new ATOM 0 HB2 ALA A 66 4.775 8.249 8.923 1.00 0.00 H new ATOM 0 HB3 ALA A 66 3.998 6.745 9.471 1.00 0.00 H new ATOM 1007 N THR A 67 0.915 7.471 8.125 1.00 0.00 N ATOM 1008 CA THR A 67 -0.328 6.752 7.904 1.00 0.00 C ATOM 1009 C THR A 67 -0.326 6.096 6.522 1.00 0.00 C ATOM 1010 O THR A 67 0.447 6.484 5.647 1.00 0.00 O ATOM 1011 CB THR A 67 -1.484 7.734 8.109 1.00 0.00 C ATOM 1012 OG1 THR A 67 -1.176 8.820 7.239 1.00 0.00 O ATOM 1013 CG2 THR A 67 -1.479 8.361 9.504 1.00 0.00 C ATOM 0 H THR A 67 1.386 7.781 7.275 1.00 0.00 H new ATOM 0 HA THR A 67 -0.445 5.935 8.616 1.00 0.00 H new ATOM 0 HB THR A 67 -2.431 7.219 7.946 1.00 0.00 H new ATOM 0 HG1 THR A 67 -1.876 9.503 7.307 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.319 9.049 9.597 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.568 7.577 10.256 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.546 8.905 9.655 1.00 0.00 H new ATOM 1021 N PRO A 68 -1.224 5.087 6.363 1.00 0.00 N ATOM 1022 CA PRO A 68 -1.333 4.373 5.102 1.00 0.00 C ATOM 1023 C PRO A 68 -2.051 5.223 4.051 1.00 0.00 C ATOM 1024 O PRO A 68 -2.655 6.243 4.380 1.00 0.00 O ATOM 1025 CB PRO A 68 -2.077 3.091 5.439 1.00 0.00 C ATOM 1026 CG PRO A 68 -2.763 3.345 6.772 1.00 0.00 C ATOM 1027 CD PRO A 68 -2.156 4.601 7.377 1.00 0.00 C ATOM 0 HA PRO A 68 -0.362 4.150 4.659 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -2.805 2.847 4.665 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.390 2.247 5.508 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -3.837 3.470 6.631 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -2.626 2.495 7.440 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.922 5.344 7.599 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.643 4.382 8.314 1.00 0.00 H new ATOM 1035 N PRO A 69 -1.958 4.759 2.776 1.00 0.00 N ATOM 1036 CA PRO A 69 -1.223 3.542 2.474 1.00 0.00 C ATOM 1037 C PRO A 69 0.286 3.784 2.532 1.00 0.00 C ATOM 1038 O PRO A 69 0.730 4.911 2.748 1.00 0.00 O ATOM 1039 CB PRO A 69 -1.705 3.124 1.095 1.00 0.00 C ATOM 1040 CG PRO A 69 -2.340 4.362 0.482 1.00 0.00 C ATOM 1041 CD PRO A 69 -2.548 5.377 1.593 1.00 0.00 C ATOM 0 HA PRO A 69 -1.403 2.750 3.201 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -0.876 2.767 0.483 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -2.425 2.309 1.164 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -1.698 4.774 -0.297 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -3.291 4.110 0.012 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -2.064 6.325 1.359 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -3.607 5.588 1.743 1.00 0.00 H new ATOM 1049 N GLN A 70 1.034 2.709 2.336 1.00 0.00 N ATOM 1050 CA GLN A 70 2.485 2.790 2.363 1.00 0.00 C ATOM 1051 C GLN A 70 3.094 1.714 1.462 1.00 0.00 C ATOM 1052 O GLN A 70 2.967 0.523 1.739 1.00 0.00 O ATOM 1053 CB GLN A 70 3.014 2.671 3.793 1.00 0.00 C ATOM 1054 CG GLN A 70 3.818 3.912 4.186 1.00 0.00 C ATOM 1055 CD GLN A 70 2.921 4.961 4.846 1.00 0.00 C ATOM 1056 OE1 GLN A 70 2.064 4.659 5.660 1.00 0.00 O ATOM 1057 NE2 GLN A 70 3.166 6.207 4.451 1.00 0.00 N ATOM 0 H GLN A 70 0.663 1.776 2.158 1.00 0.00 H new ATOM 0 HA GLN A 70 2.782 3.767 1.981 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.180 2.540 4.483 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.642 1.784 3.880 1.00 0.00 H new ATOM 0 HG2 GLN A 70 4.618 3.630 4.871 1.00 0.00 H new ATOM 0 HG3 GLN A 70 4.291 4.338 3.301 1.00 0.00 H new ATOM 0 HE21 GLN A 70 3.899 6.390 3.766 1.00 0.00 H new ATOM 0 HE22 GLN A 70 2.621 6.980 4.834 1.00 0.00 H new ATOM 1066 N ILE A 71 3.742 2.174 0.401 1.00 0.00 N ATOM 1067 CA ILE A 71 4.371 1.265 -0.543 1.00 0.00 C ATOM 1068 C ILE A 71 5.839 1.072 -0.157 1.00 0.00 C ATOM 1069 O ILE A 71 6.564 2.045 0.044 1.00 0.00 O ATOM 1070 CB ILE A 71 4.172 1.760 -1.977 1.00 0.00 C ATOM 1071 CG1 ILE A 71 2.695 2.047 -2.258 1.00 0.00 C ATOM 1072 CG2 ILE A 71 4.766 0.774 -2.984 1.00 0.00 C ATOM 1073 CD1 ILE A 71 2.458 3.544 -2.468 1.00 0.00 C ATOM 0 H ILE A 71 3.845 3.163 0.174 1.00 0.00 H new ATOM 0 HA ILE A 71 3.898 0.284 -0.501 1.00 0.00 H new ATOM 0 HB ILE A 71 4.710 2.701 -2.092 1.00 0.00 H new ATOM 0 HG12 ILE A 71 2.376 1.497 -3.143 1.00 0.00 H new ATOM 0 HG13 ILE A 71 2.087 1.692 -1.426 1.00 0.00 H new ATOM 0 HG21 ILE A 71 4.611 1.149 -3.996 1.00 0.00 H new ATOM 0 HG22 ILE A 71 5.834 0.663 -2.798 1.00 0.00 H new ATOM 0 HG23 ILE A 71 4.277 -0.194 -2.877 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.401 3.721 -2.666 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.755 4.089 -1.572 1.00 0.00 H new ATOM 0 HD13 ILE A 71 3.049 3.890 -3.316 1.00 0.00 H new ATOM 1085 N VAL A 72 6.233 -0.190 -0.065 1.00 0.00 N ATOM 1086 CA VAL A 72 7.601 -0.522 0.293 1.00 0.00 C ATOM 1087 C VAL A 72 8.135 -1.578 -0.678 1.00 0.00 C ATOM 1088 O VAL A 72 7.422 -2.514 -1.036 1.00 0.00 O ATOM 1089 CB VAL A 72 7.666 -0.967 1.755 1.00 0.00 C ATOM 1090 CG1 VAL A 72 9.114 -1.033 2.245 1.00 0.00 C ATOM 1091 CG2 VAL A 72 6.826 -0.049 2.645 1.00 0.00 C ATOM 0 H VAL A 72 5.629 -0.994 -0.232 1.00 0.00 H new ATOM 0 HA VAL A 72 8.243 0.355 0.206 1.00 0.00 H new ATOM 0 HB VAL A 72 7.246 -1.971 1.819 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.131 -1.352 3.287 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.671 -1.746 1.638 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.572 -0.048 2.159 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.889 -0.387 3.679 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.203 0.971 2.573 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.787 -0.076 2.317 1.00 0.00 H new ATOM 1101 N ASN A 73 9.385 -1.391 -1.076 1.00 0.00 N ATOM 1102 CA ASN A 73 10.023 -2.315 -1.998 1.00 0.00 C ATOM 1103 C ASN A 73 11.235 -2.954 -1.316 1.00 0.00 C ATOM 1104 O ASN A 73 12.274 -2.315 -1.164 1.00 0.00 O ATOM 1105 CB ASN A 73 10.514 -1.591 -3.253 1.00 0.00 C ATOM 1106 CG ASN A 73 10.554 -2.539 -4.453 1.00 0.00 C ATOM 1107 OD1 ASN A 73 9.951 -2.063 -5.538 1.00 0.00 O flip ATOM 1108 ND2 ASN A 73 11.096 -3.630 -4.397 1.00 0.00 N flip ATOM 0 H ASN A 73 9.973 -0.613 -0.777 1.00 0.00 H new ATOM 0 HA ASN A 73 9.289 -3.069 -2.281 1.00 0.00 H new ATOM 0 HB2 ASN A 73 9.857 -0.749 -3.472 1.00 0.00 H new ATOM 0 HB3 ASN A 73 11.508 -1.182 -3.075 1.00 0.00 H new ATOM 0 HD21 ASN A 73 11.541 -3.934 -3.531 1.00 0.00 H new ATOM 0 HD22 ASN A 73 11.104 -4.238 -5.216 1.00 0.00 H new ATOM 1115 N GLY A 74 11.060 -4.207 -0.923 1.00 0.00 N ATOM 1116 CA GLY A 74 12.127 -4.939 -0.261 1.00 0.00 C ATOM 1117 C GLY A 74 12.924 -4.024 0.670 1.00 0.00 C ATOM 1118 O GLY A 74 14.104 -3.769 0.435 1.00 0.00 O ATOM 0 H GLY A 74 10.196 -4.734 -1.050 1.00 0.00 H new ATOM 0 HA2 GLY A 74 11.705 -5.766 0.310 1.00 0.00 H new ATOM 0 HA3 GLY A 74 12.792 -5.373 -1.007 1.00 0.00 H new ATOM 1122 N ASN A 75 12.247 -3.555 1.708 1.00 0.00 N ATOM 1123 CA ASN A 75 12.877 -2.673 2.676 1.00 0.00 C ATOM 1124 C ASN A 75 12.807 -1.232 2.168 1.00 0.00 C ATOM 1125 O ASN A 75 12.456 -0.322 2.918 1.00 0.00 O ATOM 1126 CB ASN A 75 14.351 -3.034 2.872 1.00 0.00 C ATOM 1127 CG ASN A 75 14.548 -4.551 2.875 1.00 0.00 C ATOM 1128 OD1 ASN A 75 15.534 -4.970 2.086 1.00 0.00 O flip ATOM 1129 ND2 ASN A 75 13.852 -5.293 3.549 1.00 0.00 N flip ATOM 0 H ASN A 75 11.268 -3.769 1.900 1.00 0.00 H new ATOM 0 HA ASN A 75 12.350 -2.781 3.624 1.00 0.00 H new ATOM 0 HB2 ASN A 75 14.947 -2.588 2.076 1.00 0.00 H new ATOM 0 HB3 ASN A 75 14.710 -2.615 3.812 1.00 0.00 H new ATOM 0 HD21 ASN A 75 13.111 -4.906 4.134 1.00 0.00 H new ATOM 0 HD22 ASN A 75 14.011 -6.300 3.528 1.00 0.00 H new ATOM 1136 N HIS A 76 13.147 -1.068 0.898 1.00 0.00 N ATOM 1137 CA HIS A 76 13.127 0.247 0.281 1.00 0.00 C ATOM 1138 C HIS A 76 11.748 0.882 0.471 1.00 0.00 C ATOM 1139 O HIS A 76 10.752 0.177 0.627 1.00 0.00 O ATOM 1140 CB HIS A 76 13.544 0.165 -1.188 1.00 0.00 C ATOM 1141 CG HIS A 76 14.796 -0.645 -1.427 1.00 0.00 C ATOM 1142 ND1 HIS A 76 15.973 -0.429 -0.731 1.00 0.00 N ATOM 1143 CD2 HIS A 76 15.042 -1.673 -2.289 1.00 0.00 C ATOM 1144 CE1 HIS A 76 16.879 -1.293 -1.164 1.00 0.00 C ATOM 1145 NE2 HIS A 76 16.301 -2.062 -2.130 1.00 0.00 N ATOM 0 H HIS A 76 13.438 -1.825 0.279 1.00 0.00 H new ATOM 0 HA HIS A 76 13.857 0.892 0.770 1.00 0.00 H new ATOM 0 HB2 HIS A 76 12.727 -0.270 -1.763 1.00 0.00 H new ATOM 0 HB3 HIS A 76 13.699 1.175 -1.568 1.00 0.00 H new ATOM 0 HD2 HIS A 76 14.333 -2.098 -2.983 1.00 0.00 H new ATOM 0 HE1 HIS A 76 17.897 -1.374 -0.813 1.00 0.00 H new ATOM 0 HE2 HIS A 76 16.760 -2.813 -2.646 1.00 0.00 H new ATOM 1153 N TYR A 77 11.734 2.207 0.452 1.00 0.00 N ATOM 1154 CA TYR A 77 10.494 2.945 0.621 1.00 0.00 C ATOM 1155 C TYR A 77 10.164 3.756 -0.634 1.00 0.00 C ATOM 1156 O TYR A 77 10.988 4.537 -1.107 1.00 0.00 O ATOM 1157 CB TYR A 77 10.730 3.906 1.788 1.00 0.00 C ATOM 1158 CG TYR A 77 9.572 4.873 2.041 1.00 0.00 C ATOM 1159 CD1 TYR A 77 8.314 4.383 2.329 1.00 0.00 C ATOM 1160 CD2 TYR A 77 9.785 6.235 1.983 1.00 0.00 C ATOM 1161 CE1 TYR A 77 7.224 5.294 2.567 1.00 0.00 C ATOM 1162 CE2 TYR A 77 8.695 7.146 2.222 1.00 0.00 C ATOM 1163 CZ TYR A 77 7.469 6.630 2.502 1.00 0.00 C ATOM 1164 OH TYR A 77 6.439 7.490 2.727 1.00 0.00 O ATOM 0 H TYR A 77 12.562 2.788 0.322 1.00 0.00 H new ATOM 0 HA TYR A 77 9.663 2.263 0.803 1.00 0.00 H new ATOM 0 HB2 TYR A 77 10.909 3.325 2.693 1.00 0.00 H new ATOM 0 HB3 TYR A 77 11.635 4.482 1.594 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.147 3.317 2.376 1.00 0.00 H new ATOM 0 HD2 TYR A 77 10.769 6.618 1.758 1.00 0.00 H new ATOM 0 HE1 TYR A 77 6.234 4.924 2.792 1.00 0.00 H new ATOM 0 HE2 TYR A 77 8.848 8.214 2.180 1.00 0.00 H new ATOM 0 HH TYR A 77 6.760 8.413 2.649 1.00 0.00 H new ATOM 1174 N CYS A 78 8.957 3.544 -1.137 1.00 0.00 N ATOM 1175 CA CYS A 78 8.508 4.246 -2.327 1.00 0.00 C ATOM 1176 C CYS A 78 8.023 5.636 -1.911 1.00 0.00 C ATOM 1177 O CYS A 78 8.628 6.643 -2.275 1.00 0.00 O ATOM 1178 CB CYS A 78 7.424 3.462 -3.071 1.00 0.00 C ATOM 1179 SG CYS A 78 7.922 1.710 -3.238 1.00 0.00 S ATOM 0 H CYS A 78 8.276 2.896 -0.742 1.00 0.00 H new ATOM 0 HA CYS A 78 9.337 4.346 -3.027 1.00 0.00 H new ATOM 0 HB2 CYS A 78 6.479 3.530 -2.532 1.00 0.00 H new ATOM 0 HB3 CYS A 78 7.260 3.898 -4.057 1.00 0.00 H new ATOM 0 HG CYS A 78 8.909 1.618 -4.079 1.00 0.00 H new ATOM 1185 N GLY A 79 6.936 5.647 -1.153 1.00 0.00 N ATOM 1186 CA GLY A 79 6.364 6.897 -0.683 1.00 0.00 C ATOM 1187 C GLY A 79 4.947 6.683 -0.146 1.00 0.00 C ATOM 1188 O GLY A 79 4.647 5.635 0.423 1.00 0.00 O ATOM 0 H GLY A 79 6.436 4.810 -0.853 1.00 0.00 H new ATOM 0 HA2 GLY A 79 6.994 7.318 0.101 1.00 0.00 H new ATOM 0 HA3 GLY A 79 6.343 7.621 -1.498 1.00 0.00 H new ATOM 1192 N ASP A 80 4.114 7.694 -0.345 1.00 0.00 N ATOM 1193 CA ASP A 80 2.737 7.630 0.112 1.00 0.00 C ATOM 1194 C ASP A 80 1.800 7.652 -1.098 1.00 0.00 C ATOM 1195 O ASP A 80 2.248 7.825 -2.230 1.00 0.00 O ATOM 1196 CB ASP A 80 2.394 8.830 0.997 1.00 0.00 C ATOM 1197 CG ASP A 80 2.257 10.161 0.257 1.00 0.00 C ATOM 1198 OD1 ASP A 80 2.882 10.279 -0.820 1.00 0.00 O ATOM 1199 OD2 ASP A 80 1.530 11.032 0.783 1.00 0.00 O ATOM 0 H ASP A 80 4.367 8.562 -0.817 1.00 0.00 H new ATOM 0 HA ASP A 80 2.615 6.712 0.686 1.00 0.00 H new ATOM 0 HB2 ASP A 80 1.459 8.623 1.517 1.00 0.00 H new ATOM 0 HB3 ASP A 80 3.167 8.933 1.759 1.00 0.00 H new ATOM 1204 N TYR A 81 0.518 7.475 -0.817 1.00 0.00 N ATOM 1205 CA TYR A 81 -0.485 7.472 -1.868 1.00 0.00 C ATOM 1206 C TYR A 81 -0.269 8.639 -2.835 1.00 0.00 C ATOM 1207 O TYR A 81 -0.440 8.487 -4.043 1.00 0.00 O ATOM 1208 CB TYR A 81 -1.833 7.651 -1.165 1.00 0.00 C ATOM 1209 CG TYR A 81 -3.001 7.915 -2.117 1.00 0.00 C ATOM 1210 CD1 TYR A 81 -3.296 9.206 -2.507 1.00 0.00 C ATOM 1211 CD2 TYR A 81 -3.760 6.862 -2.587 1.00 0.00 C ATOM 1212 CE1 TYR A 81 -4.395 9.454 -3.403 1.00 0.00 C ATOM 1213 CE2 TYR A 81 -4.859 7.110 -3.483 1.00 0.00 C ATOM 1214 CZ TYR A 81 -5.123 8.394 -3.847 1.00 0.00 C ATOM 1215 OH TYR A 81 -6.161 8.629 -4.693 1.00 0.00 O ATOM 0 H TYR A 81 0.150 7.333 0.124 1.00 0.00 H new ATOM 0 HA TYR A 81 -0.434 6.549 -2.445 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -2.048 6.756 -0.581 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -1.757 8.480 -0.461 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.702 10.030 -2.140 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -3.529 5.852 -2.282 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -4.636 10.459 -3.716 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -5.460 6.295 -3.858 1.00 0.00 H new ATOM 0 HH TYR A 81 -6.090 8.037 -5.470 1.00 0.00 H new ATOM 1225 N GLU A 82 0.103 9.776 -2.266 1.00 0.00 N ATOM 1226 CA GLU A 82 0.344 10.967 -3.062 1.00 0.00 C ATOM 1227 C GLU A 82 1.435 10.700 -4.100 1.00 0.00 C ATOM 1228 O GLU A 82 1.158 10.645 -5.297 1.00 0.00 O ATOM 1229 CB GLU A 82 0.713 12.156 -2.172 1.00 0.00 C ATOM 1230 CG GLU A 82 -0.539 12.904 -1.710 1.00 0.00 C ATOM 1231 CD GLU A 82 -0.384 14.412 -1.917 1.00 0.00 C ATOM 1232 OE1 GLU A 82 -0.675 14.863 -3.047 1.00 0.00 O ATOM 1233 OE2 GLU A 82 0.021 15.081 -0.942 1.00 0.00 O ATOM 0 H GLU A 82 0.243 9.898 -1.263 1.00 0.00 H new ATOM 0 HA GLU A 82 -0.576 11.221 -3.588 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.273 11.806 -1.305 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.366 12.836 -2.719 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.407 12.545 -2.263 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.724 12.695 -0.656 1.00 0.00 H new ATOM 1240 N LEU A 83 2.653 10.541 -3.604 1.00 0.00 N ATOM 1241 CA LEU A 83 3.788 10.280 -4.473 1.00 0.00 C ATOM 1242 C LEU A 83 3.373 9.288 -5.562 1.00 0.00 C ATOM 1243 O LEU A 83 3.642 9.508 -6.742 1.00 0.00 O ATOM 1244 CB LEU A 83 4.998 9.826 -3.655 1.00 0.00 C ATOM 1245 CG LEU A 83 6.086 10.876 -3.426 1.00 0.00 C ATOM 1246 CD1 LEU A 83 5.594 11.979 -2.487 1.00 0.00 C ATOM 1247 CD2 LEU A 83 7.377 10.227 -2.922 1.00 0.00 C ATOM 0 H LEU A 83 2.879 10.588 -2.610 1.00 0.00 H new ATOM 0 HA LEU A 83 4.100 11.195 -4.977 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.645 9.480 -2.684 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.448 8.968 -4.155 1.00 0.00 H new ATOM 0 HG LEU A 83 6.314 11.346 -4.383 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.387 12.713 -2.341 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.723 12.468 -2.924 1.00 0.00 H new ATOM 0 HD13 LEU A 83 5.321 11.544 -1.526 1.00 0.00 H new ATOM 0 HD21 LEU A 83 8.134 10.996 -2.767 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.183 9.714 -1.980 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.735 9.508 -3.659 1.00 0.00 H new ATOM 1259 N PHE A 84 2.726 8.217 -5.126 1.00 0.00 N ATOM 1260 CA PHE A 84 2.272 7.190 -6.048 1.00 0.00 C ATOM 1261 C PHE A 84 1.425 7.796 -7.169 1.00 0.00 C ATOM 1262 O PHE A 84 1.726 7.613 -8.348 1.00 0.00 O ATOM 1263 CB PHE A 84 1.410 6.216 -5.243 1.00 0.00 C ATOM 1264 CG PHE A 84 1.222 4.853 -5.913 1.00 0.00 C ATOM 1265 CD1 PHE A 84 2.297 4.049 -6.133 1.00 0.00 C ATOM 1266 CD2 PHE A 84 -0.020 4.444 -6.287 1.00 0.00 C ATOM 1267 CE1 PHE A 84 2.123 2.784 -6.755 1.00 0.00 C ATOM 1268 CE2 PHE A 84 -0.194 3.180 -6.908 1.00 0.00 C ATOM 1269 CZ PHE A 84 0.881 2.376 -7.129 1.00 0.00 C ATOM 0 H PHE A 84 2.505 8.038 -4.146 1.00 0.00 H new ATOM 0 HA PHE A 84 3.129 6.694 -6.504 1.00 0.00 H new ATOM 0 HB2 PHE A 84 1.865 6.068 -4.263 1.00 0.00 H new ATOM 0 HB3 PHE A 84 0.431 6.666 -5.076 1.00 0.00 H new ATOM 0 HD1 PHE A 84 3.283 4.373 -5.835 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.874 5.081 -6.111 1.00 0.00 H new ATOM 0 HE1 PHE A 84 2.977 2.146 -6.931 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.180 2.856 -7.205 1.00 0.00 H new ATOM 0 HZ PHE A 84 0.748 1.414 -7.601 1.00 0.00 H new ATOM 1279 N VAL A 85 0.382 8.505 -6.762 1.00 0.00 N ATOM 1280 CA VAL A 85 -0.511 9.138 -7.718 1.00 0.00 C ATOM 1281 C VAL A 85 0.298 10.063 -8.629 1.00 0.00 C ATOM 1282 O VAL A 85 0.124 10.048 -9.847 1.00 0.00 O ATOM 1283 CB VAL A 85 -1.638 9.863 -6.979 1.00 0.00 C ATOM 1284 CG1 VAL A 85 -1.391 11.372 -6.947 1.00 0.00 C ATOM 1285 CG2 VAL A 85 -2.997 9.543 -7.604 1.00 0.00 C ATOM 0 H VAL A 85 0.135 8.655 -5.784 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.985 8.389 -8.353 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.649 9.504 -5.950 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.207 11.863 -6.416 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.450 11.576 -6.436 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.340 11.754 -7.967 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -3.781 10.071 -7.060 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -3.002 9.861 -8.647 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.178 8.469 -7.551 1.00 0.00 H new ATOM 1295 N GLU A 86 1.165 10.846 -8.005 1.00 0.00 N ATOM 1296 CA GLU A 86 2.001 11.776 -8.745 1.00 0.00 C ATOM 1297 C GLU A 86 2.659 11.069 -9.932 1.00 0.00 C ATOM 1298 O GLU A 86 2.455 11.458 -11.081 1.00 0.00 O ATOM 1299 CB GLU A 86 3.054 12.412 -7.834 1.00 0.00 C ATOM 1300 CG GLU A 86 3.194 13.908 -8.120 1.00 0.00 C ATOM 1301 CD GLU A 86 4.649 14.359 -7.977 1.00 0.00 C ATOM 1302 OE1 GLU A 86 5.415 14.117 -8.935 1.00 0.00 O ATOM 1303 OE2 GLU A 86 4.963 14.936 -6.914 1.00 0.00 O ATOM 0 H GLU A 86 1.307 10.856 -6.995 1.00 0.00 H new ATOM 0 HA GLU A 86 1.368 12.577 -9.128 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.776 12.262 -6.791 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.014 11.918 -7.982 1.00 0.00 H new ATOM 0 HG2 GLU A 86 2.840 14.124 -9.128 1.00 0.00 H new ATOM 0 HG3 GLU A 86 2.565 14.474 -7.433 1.00 0.00 H new ATOM 1310 N ALA A 87 3.435 10.044 -9.614 1.00 0.00 N ATOM 1311 CA ALA A 87 4.124 9.280 -10.640 1.00 0.00 C ATOM 1312 C ALA A 87 3.092 8.599 -11.541 1.00 0.00 C ATOM 1313 O ALA A 87 3.074 8.826 -12.750 1.00 0.00 O ATOM 1314 CB ALA A 87 5.073 8.277 -9.979 1.00 0.00 C ATOM 0 H ALA A 87 3.602 9.724 -8.660 1.00 0.00 H new ATOM 0 HA ALA A 87 4.728 9.936 -11.267 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.590 7.704 -10.749 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.804 8.813 -9.373 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.502 7.600 -9.344 1.00 0.00 H new ATOM 1320 N VAL A 88 2.259 7.779 -10.919 1.00 0.00 N ATOM 1321 CA VAL A 88 1.227 7.064 -11.650 1.00 0.00 C ATOM 1322 C VAL A 88 0.622 7.990 -12.707 1.00 0.00 C ATOM 1323 O VAL A 88 0.608 7.661 -13.892 1.00 0.00 O ATOM 1324 CB VAL A 88 0.186 6.507 -10.677 1.00 0.00 C ATOM 1325 CG1 VAL A 88 -1.159 6.295 -11.375 1.00 0.00 C ATOM 1326 CG2 VAL A 88 0.679 5.210 -10.031 1.00 0.00 C ATOM 0 H VAL A 88 2.277 7.593 -9.916 1.00 0.00 H new ATOM 0 HA VAL A 88 1.654 6.208 -12.173 1.00 0.00 H new ATOM 0 HB VAL A 88 0.040 7.242 -9.885 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -1.881 5.899 -10.661 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.520 7.246 -11.766 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.035 5.589 -12.196 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -0.079 4.835 -9.344 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.867 4.466 -10.805 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.601 5.404 -9.483 1.00 0.00 H new ATOM 1336 N GLU A 89 0.136 9.131 -12.239 1.00 0.00 N ATOM 1337 CA GLU A 89 -0.469 10.107 -13.129 1.00 0.00 C ATOM 1338 C GLU A 89 0.546 10.572 -14.175 1.00 0.00 C ATOM 1339 O GLU A 89 0.248 10.589 -15.369 1.00 0.00 O ATOM 1340 CB GLU A 89 -1.028 11.294 -12.342 1.00 0.00 C ATOM 1341 CG GLU A 89 -2.159 10.851 -11.411 1.00 0.00 C ATOM 1342 CD GLU A 89 -3.437 11.648 -11.684 1.00 0.00 C ATOM 1343 OE1 GLU A 89 -4.072 11.364 -12.723 1.00 0.00 O ATOM 1344 OE2 GLU A 89 -3.750 12.522 -10.848 1.00 0.00 O ATOM 0 H GLU A 89 0.149 9.401 -11.255 1.00 0.00 H new ATOM 0 HA GLU A 89 -1.302 9.631 -13.646 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -0.231 11.755 -11.758 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.397 12.052 -13.033 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -2.353 9.787 -11.549 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -1.855 10.988 -10.373 1.00 0.00 H new ATOM 1351 N GLN A 90 1.723 10.938 -13.690 1.00 0.00 N ATOM 1352 CA GLN A 90 2.783 11.402 -14.568 1.00 0.00 C ATOM 1353 C GLN A 90 3.177 10.300 -15.553 1.00 0.00 C ATOM 1354 O GLN A 90 3.828 10.567 -16.562 1.00 0.00 O ATOM 1355 CB GLN A 90 3.994 11.877 -13.762 1.00 0.00 C ATOM 1356 CG GLN A 90 3.757 13.275 -13.188 1.00 0.00 C ATOM 1357 CD GLN A 90 3.471 14.284 -14.302 1.00 0.00 C ATOM 1358 OE1 GLN A 90 4.346 14.682 -15.055 1.00 0.00 O ATOM 1359 NE2 GLN A 90 2.201 14.675 -14.365 1.00 0.00 N ATOM 0 H GLN A 90 1.966 10.923 -12.699 1.00 0.00 H new ATOM 0 HA GLN A 90 2.410 12.254 -15.137 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.193 11.176 -12.951 1.00 0.00 H new ATOM 0 HB3 GLN A 90 4.878 11.887 -14.399 1.00 0.00 H new ATOM 0 HG2 GLN A 90 2.918 13.249 -12.492 1.00 0.00 H new ATOM 0 HG3 GLN A 90 4.632 13.592 -12.621 1.00 0.00 H new ATOM 0 HE21 GLN A 90 1.519 14.303 -13.704 1.00 0.00 H new ATOM 0 HE22 GLN A 90 1.909 15.347 -15.074 1.00 0.00 H new ATOM 1368 N ASP A 91 2.766 9.084 -15.226 1.00 0.00 N ATOM 1369 CA ASP A 91 3.068 7.939 -16.069 1.00 0.00 C ATOM 1370 C ASP A 91 4.538 7.553 -15.889 1.00 0.00 C ATOM 1371 O ASP A 91 5.150 6.990 -16.795 1.00 0.00 O ATOM 1372 CB ASP A 91 2.842 8.269 -17.546 1.00 0.00 C ATOM 1373 CG ASP A 91 2.158 7.166 -18.357 1.00 0.00 C ATOM 1374 OD1 ASP A 91 1.801 6.143 -17.735 1.00 0.00 O ATOM 1375 OD2 ASP A 91 2.007 7.373 -19.580 1.00 0.00 O ATOM 0 H ASP A 91 2.226 8.866 -14.389 1.00 0.00 H new ATOM 0 HA ASP A 91 2.409 7.121 -15.778 1.00 0.00 H new ATOM 0 HB2 ASP A 91 2.240 9.175 -17.612 1.00 0.00 H new ATOM 0 HB3 ASP A 91 3.805 8.492 -18.005 1.00 0.00 H new ATOM 1380 N THR A 92 5.061 7.872 -14.715 1.00 0.00 N ATOM 1381 CA THR A 92 6.447 7.565 -14.405 1.00 0.00 C ATOM 1382 C THR A 92 6.540 6.777 -13.097 1.00 0.00 C ATOM 1383 O THR A 92 7.579 6.781 -12.438 1.00 0.00 O ATOM 1384 CB THR A 92 7.228 8.880 -14.379 1.00 0.00 C ATOM 1385 OG1 THR A 92 6.493 9.703 -13.477 1.00 0.00 O ATOM 1386 CG2 THR A 92 7.156 9.631 -15.711 1.00 0.00 C ATOM 0 H THR A 92 4.550 8.340 -13.967 1.00 0.00 H new ATOM 0 HA THR A 92 6.889 6.922 -15.166 1.00 0.00 H new ATOM 0 HB THR A 92 8.270 8.678 -14.132 1.00 0.00 H new ATOM 0 HG1 THR A 92 6.931 10.576 -13.399 1.00 0.00 H new ATOM 0 HG21 THR A 92 7.727 10.557 -15.638 1.00 0.00 H new ATOM 0 HG22 THR A 92 7.573 9.009 -16.503 1.00 0.00 H new ATOM 0 HG23 THR A 92 6.116 9.863 -15.942 1.00 0.00 H new ATOM 1394 N LEU A 93 5.440 6.121 -12.759 1.00 0.00 N ATOM 1395 CA LEU A 93 5.384 5.330 -11.542 1.00 0.00 C ATOM 1396 C LEU A 93 6.538 4.326 -11.537 1.00 0.00 C ATOM 1397 O LEU A 93 7.137 4.068 -10.494 1.00 0.00 O ATOM 1398 CB LEU A 93 4.006 4.684 -11.385 1.00 0.00 C ATOM 1399 CG LEU A 93 3.879 3.635 -10.278 1.00 0.00 C ATOM 1400 CD1 LEU A 93 4.596 2.340 -10.665 1.00 0.00 C ATOM 1401 CD2 LEU A 93 4.374 4.187 -8.940 1.00 0.00 C ATOM 0 H LEU A 93 4.580 6.121 -13.307 1.00 0.00 H new ATOM 0 HA LEU A 93 5.513 5.968 -10.668 1.00 0.00 H new ATOM 0 HB2 LEU A 93 3.277 5.472 -11.197 1.00 0.00 H new ATOM 0 HB3 LEU A 93 3.735 4.218 -12.332 1.00 0.00 H new ATOM 0 HG LEU A 93 2.823 3.394 -10.155 1.00 0.00 H new ATOM 0 HD11 LEU A 93 4.490 1.611 -9.861 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.156 1.939 -11.578 1.00 0.00 H new ATOM 0 HD13 LEU A 93 5.653 2.545 -10.832 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.273 3.421 -8.171 1.00 0.00 H new ATOM 0 HD22 LEU A 93 5.422 4.474 -9.030 1.00 0.00 H new ATOM 0 HD23 LEU A 93 3.781 5.059 -8.664 1.00 0.00 H new ATOM 1413 N GLN A 94 6.815 3.786 -12.715 1.00 0.00 N ATOM 1414 CA GLN A 94 7.887 2.815 -12.860 1.00 0.00 C ATOM 1415 C GLN A 94 9.185 3.366 -12.266 1.00 0.00 C ATOM 1416 O GLN A 94 10.070 2.602 -11.883 1.00 0.00 O ATOM 1417 CB GLN A 94 8.077 2.423 -14.326 1.00 0.00 C ATOM 1418 CG GLN A 94 6.998 1.435 -14.774 1.00 0.00 C ATOM 1419 CD GLN A 94 6.669 1.618 -16.257 1.00 0.00 C ATOM 1420 OE1 GLN A 94 7.440 2.166 -17.028 1.00 0.00 O ATOM 1421 NE2 GLN A 94 5.484 1.129 -16.613 1.00 0.00 N ATOM 0 H GLN A 94 6.316 4.002 -13.578 1.00 0.00 H new ATOM 0 HA GLN A 94 7.613 1.914 -12.311 1.00 0.00 H new ATOM 0 HB2 GLN A 94 8.041 3.315 -14.952 1.00 0.00 H new ATOM 0 HB3 GLN A 94 9.062 1.977 -14.462 1.00 0.00 H new ATOM 0 HG2 GLN A 94 7.338 0.415 -14.596 1.00 0.00 H new ATOM 0 HG3 GLN A 94 6.097 1.579 -14.177 1.00 0.00 H new ATOM 0 HE21 GLN A 94 4.887 0.682 -15.917 1.00 0.00 H new ATOM 0 HE22 GLN A 94 5.173 1.201 -17.582 1.00 0.00 H new ATOM 1430 N GLU A 95 9.258 4.687 -12.209 1.00 0.00 N ATOM 1431 CA GLU A 95 10.434 5.349 -11.669 1.00 0.00 C ATOM 1432 C GLU A 95 10.324 5.467 -10.147 1.00 0.00 C ATOM 1433 O GLU A 95 11.236 5.071 -9.423 1.00 0.00 O ATOM 1434 CB GLU A 95 10.634 6.723 -12.312 1.00 0.00 C ATOM 1435 CG GLU A 95 11.822 7.454 -11.684 1.00 0.00 C ATOM 1436 CD GLU A 95 13.129 6.706 -11.949 1.00 0.00 C ATOM 1437 OE1 GLU A 95 13.229 6.107 -13.041 1.00 0.00 O ATOM 1438 OE2 GLU A 95 13.999 6.749 -11.052 1.00 0.00 O ATOM 0 H GLU A 95 8.522 5.317 -12.528 1.00 0.00 H new ATOM 0 HA GLU A 95 11.309 4.743 -11.905 1.00 0.00 H new ATOM 0 HB2 GLU A 95 10.799 6.607 -13.383 1.00 0.00 H new ATOM 0 HB3 GLU A 95 9.730 7.320 -12.192 1.00 0.00 H new ATOM 0 HG2 GLU A 95 11.888 8.463 -12.090 1.00 0.00 H new ATOM 0 HG3 GLU A 95 11.666 7.552 -10.610 1.00 0.00 H new ATOM 1445 N PHE A 96 9.200 6.013 -9.707 1.00 0.00 N ATOM 1446 CA PHE A 96 8.959 6.188 -8.285 1.00 0.00 C ATOM 1447 C PHE A 96 9.319 4.920 -7.508 1.00 0.00 C ATOM 1448 O PHE A 96 10.210 4.939 -6.661 1.00 0.00 O ATOM 1449 CB PHE A 96 7.465 6.470 -8.116 1.00 0.00 C ATOM 1450 CG PHE A 96 6.989 6.451 -6.661 1.00 0.00 C ATOM 1451 CD1 PHE A 96 7.543 7.300 -5.754 1.00 0.00 C ATOM 1452 CD2 PHE A 96 6.013 5.587 -6.276 1.00 0.00 C ATOM 1453 CE1 PHE A 96 7.102 7.282 -4.405 1.00 0.00 C ATOM 1454 CE2 PHE A 96 5.571 5.569 -4.927 1.00 0.00 C ATOM 1455 CZ PHE A 96 6.125 6.418 -4.019 1.00 0.00 C ATOM 0 H PHE A 96 8.446 6.340 -10.311 1.00 0.00 H new ATOM 0 HA PHE A 96 9.572 7.003 -7.901 1.00 0.00 H new ATOM 0 HB2 PHE A 96 7.238 7.444 -8.549 1.00 0.00 H new ATOM 0 HB3 PHE A 96 6.900 5.730 -8.682 1.00 0.00 H new ATOM 0 HD1 PHE A 96 8.318 7.987 -6.060 1.00 0.00 H new ATOM 0 HD2 PHE A 96 5.573 4.914 -6.997 1.00 0.00 H new ATOM 0 HE1 PHE A 96 7.543 7.955 -3.684 1.00 0.00 H new ATOM 0 HE2 PHE A 96 4.796 4.882 -4.622 1.00 0.00 H new ATOM 0 HZ PHE A 96 5.789 6.406 -2.993 1.00 0.00 H new ATOM 1465 N LEU A 97 8.606 3.849 -7.824 1.00 0.00 N ATOM 1466 CA LEU A 97 8.839 2.575 -7.166 1.00 0.00 C ATOM 1467 C LEU A 97 10.275 2.120 -7.438 1.00 0.00 C ATOM 1468 O LEU A 97 11.145 2.940 -7.728 1.00 0.00 O ATOM 1469 CB LEU A 97 7.781 1.553 -7.586 1.00 0.00 C ATOM 1470 CG LEU A 97 6.325 2.014 -7.482 1.00 0.00 C ATOM 1471 CD1 LEU A 97 5.380 0.994 -8.121 1.00 0.00 C ATOM 1472 CD2 LEU A 97 5.948 2.314 -6.030 1.00 0.00 C ATOM 0 H LEU A 97 7.867 3.837 -8.527 1.00 0.00 H new ATOM 0 HA LEU A 97 8.736 2.680 -6.086 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.976 1.261 -8.618 1.00 0.00 H new ATOM 0 HB3 LEU A 97 7.903 0.660 -6.973 1.00 0.00 H new ATOM 0 HG LEU A 97 6.220 2.944 -8.041 1.00 0.00 H new ATOM 0 HD11 LEU A 97 4.352 1.346 -8.033 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.634 0.873 -9.174 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.480 0.036 -7.611 1.00 0.00 H new ATOM 0 HD21 LEU A 97 4.909 2.640 -5.984 1.00 0.00 H new ATOM 0 HD22 LEU A 97 6.073 1.414 -5.428 1.00 0.00 H new ATOM 0 HD23 LEU A 97 6.593 3.103 -5.642 1.00 0.00 H new ATOM 1484 N LYS A 98 10.478 0.815 -7.334 1.00 0.00 N ATOM 1485 CA LYS A 98 11.793 0.241 -7.565 1.00 0.00 C ATOM 1486 C LYS A 98 11.713 -0.758 -8.722 1.00 0.00 C ATOM 1487 O LYS A 98 12.150 -1.900 -8.591 1.00 0.00 O ATOM 1488 CB LYS A 98 12.351 -0.357 -6.273 1.00 0.00 C ATOM 1489 CG LYS A 98 13.505 0.488 -5.731 1.00 0.00 C ATOM 1490 CD LYS A 98 12.988 1.777 -5.091 1.00 0.00 C ATOM 1491 CE LYS A 98 14.135 2.753 -4.818 1.00 0.00 C ATOM 1492 NZ LYS A 98 14.570 3.404 -6.074 1.00 0.00 N ATOM 0 H LYS A 98 9.754 0.138 -7.093 1.00 0.00 H new ATOM 0 HA LYS A 98 12.500 1.016 -7.861 1.00 0.00 H new ATOM 0 HB2 LYS A 98 11.560 -0.420 -5.526 1.00 0.00 H new ATOM 0 HB3 LYS A 98 12.696 -1.374 -6.458 1.00 0.00 H new ATOM 0 HG2 LYS A 98 14.067 -0.087 -4.995 1.00 0.00 H new ATOM 0 HG3 LYS A 98 14.194 0.731 -6.540 1.00 0.00 H new ATOM 0 HD2 LYS A 98 12.256 2.246 -5.749 1.00 0.00 H new ATOM 0 HD3 LYS A 98 12.475 1.544 -4.158 1.00 0.00 H new ATOM 0 HE2 LYS A 98 13.814 3.509 -4.101 1.00 0.00 H new ATOM 0 HE3 LYS A 98 14.973 2.222 -4.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 15.213 4.191 -5.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 15.065 2.711 -6.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 13.739 3.768 -6.582 1.00 0.00 H new ATOM 1506 N LEU A 99 11.151 -0.291 -9.827 1.00 0.00 N ATOM 1507 CA LEU A 99 11.008 -1.129 -11.005 1.00 0.00 C ATOM 1508 C LEU A 99 12.114 -0.788 -12.006 1.00 0.00 C ATOM 1509 O LEU A 99 12.810 -1.676 -12.493 1.00 0.00 O ATOM 1510 CB LEU A 99 9.596 -1.006 -11.583 1.00 0.00 C ATOM 1511 CG LEU A 99 8.509 -1.818 -10.876 1.00 0.00 C ATOM 1512 CD1 LEU A 99 8.006 -1.091 -9.627 1.00 0.00 C ATOM 1513 CD2 LEU A 99 7.369 -2.161 -11.838 1.00 0.00 C ATOM 0 H LEU A 99 10.789 0.657 -9.931 1.00 0.00 H new ATOM 0 HA LEU A 99 11.129 -2.180 -10.741 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.307 0.045 -11.564 1.00 0.00 H new ATOM 0 HB3 LEU A 99 9.625 -1.309 -12.630 1.00 0.00 H new ATOM 0 HG LEU A 99 8.946 -2.760 -10.545 1.00 0.00 H new ATOM 0 HD11 LEU A 99 7.234 -1.690 -9.144 1.00 0.00 H new ATOM 0 HD12 LEU A 99 8.835 -0.940 -8.935 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.590 -0.124 -9.911 1.00 0.00 H new ATOM 0 HD21 LEU A 99 6.609 -2.738 -11.311 1.00 0.00 H new ATOM 0 HD22 LEU A 99 6.926 -1.241 -12.220 1.00 0.00 H new ATOM 0 HD23 LEU A 99 7.759 -2.748 -12.670 1.00 0.00 H new ATOM 1525 N ALA A 100 12.240 0.502 -12.282 1.00 0.00 N ATOM 1526 CA ALA A 100 13.250 0.972 -13.216 1.00 0.00 C ATOM 1527 C ALA A 100 13.652 2.401 -12.849 1.00 0.00 C ATOM 1528 O ALA A 100 13.005 3.038 -12.019 1.00 0.00 O ATOM 1529 CB ALA A 100 12.712 0.866 -14.645 1.00 0.00 C ATOM 0 H ALA A 100 11.660 1.236 -11.876 1.00 0.00 H new ATOM 0 HA ALA A 100 14.145 0.353 -13.158 1.00 0.00 H new ATOM 0 HB1 ALA A 100 13.469 1.218 -15.346 1.00 0.00 H new ATOM 0 HB2 ALA A 100 12.469 -0.173 -14.866 1.00 0.00 H new ATOM 0 HB3 ALA A 100 11.815 1.477 -14.742 1.00 0.00 H new