USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 442 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= -0.0195 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.353 USER MOD Single : A 21 ASN : amide:sc= -0.0224 X(o=-0.022,f=-0.041) USER MOD Single : A 22 CYS SG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -5:sc= 0.857 USER MOD Single : A 28 HIS : no HD1:sc= -0.0726 X(o=-0.073,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 135:sc= -0.0022 (180deg=-0.339) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc=-0.00449 K(o=-0.0045,f=-0.53) USER MOD Single : A 49 SER OG : rot 169:sc= -1.46 USER MOD Single : A 54 SER OG : rot 31:sc= 0.0322 USER MOD Single : A 63 GLN : amide:sc= -1.37! C(o=-1.4!,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 77 N GLY A 9 4.043 -4.404 -0.838 1.00 0.00 N ATOM 78 CA GLY A 9 2.776 -3.875 -0.365 1.00 0.00 C ATOM 79 C GLY A 9 2.842 -2.389 -0.072 1.00 0.00 C ATOM 80 O GLY A 9 3.154 -1.984 1.048 1.00 0.00 O ATOM 0 HA2 GLY A 9 2.006 -4.061 -1.114 1.00 0.00 H new ATOM 0 HA3 GLY A 9 2.478 -4.408 0.538 1.00 0.00 H new ATOM 84 N TYR A 10 2.549 -1.575 -1.079 1.00 0.00 N ATOM 85 CA TYR A 10 2.580 -0.126 -0.925 1.00 0.00 C ATOM 86 C TYR A 10 1.337 0.514 -1.535 1.00 0.00 C ATOM 87 O TYR A 10 1.037 0.316 -2.713 1.00 0.00 O ATOM 88 CB TYR A 10 3.837 0.451 -1.578 1.00 0.00 C ATOM 89 CG TYR A 10 5.041 0.469 -0.663 1.00 0.00 C ATOM 90 CD1 TYR A 10 5.631 -0.714 -0.236 1.00 0.00 C ATOM 91 CD2 TYR A 10 5.588 1.669 -0.225 1.00 0.00 C ATOM 92 CE1 TYR A 10 6.731 -0.702 0.600 1.00 0.00 C ATOM 93 CE2 TYR A 10 6.688 1.690 0.610 1.00 0.00 C ATOM 94 CZ TYR A 10 7.255 0.502 1.020 1.00 0.00 C ATOM 95 OH TYR A 10 8.351 0.519 1.853 1.00 0.00 O ATOM 0 H TYR A 10 2.287 -1.894 -2.012 1.00 0.00 H new ATOM 0 HA TYR A 10 2.596 0.100 0.141 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.075 -0.133 -2.467 1.00 0.00 H new ATOM 0 HB3 TYR A 10 3.629 1.468 -1.911 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.223 -1.659 -0.563 1.00 0.00 H new ATOM 0 HD2 TYR A 10 5.145 2.601 -0.543 1.00 0.00 H new ATOM 0 HE1 TYR A 10 7.178 -1.631 0.923 1.00 0.00 H new ATOM 0 HE2 TYR A 10 7.102 2.632 0.940 1.00 0.00 H new ATOM 0 HH TYR A 10 8.595 1.447 2.054 1.00 0.00 H new ATOM 105 N VAL A 11 0.617 1.284 -0.725 1.00 0.00 N ATOM 106 CA VAL A 11 -0.593 1.955 -1.184 1.00 0.00 C ATOM 107 C VAL A 11 -0.511 3.459 -0.948 1.00 0.00 C ATOM 108 O VAL A 11 0.154 3.916 -0.018 1.00 0.00 O ATOM 109 CB VAL A 11 -1.845 1.403 -0.476 1.00 0.00 C ATOM 110 CG1 VAL A 11 -1.934 -0.105 -0.647 1.00 0.00 C ATOM 111 CG2 VAL A 11 -1.831 1.781 0.998 1.00 0.00 C ATOM 0 H VAL A 11 0.851 1.458 0.252 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.675 1.762 -2.254 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.728 1.849 -0.935 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.825 -0.477 -0.140 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.992 -0.348 -1.708 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.049 -0.573 -0.216 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.722 1.384 1.484 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -0.943 1.364 1.472 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.818 2.867 1.095 1.00 0.00 H new ATOM 121 N ILE A 12 -1.190 4.224 -1.796 1.00 0.00 N ATOM 122 CA ILE A 12 -1.194 5.677 -1.679 1.00 0.00 C ATOM 123 C ILE A 12 -2.585 6.196 -1.331 1.00 0.00 C ATOM 124 O ILE A 12 -3.591 5.678 -1.815 1.00 0.00 O ATOM 125 CB ILE A 12 -0.719 6.348 -2.981 1.00 0.00 C ATOM 126 CG1 ILE A 12 -0.371 7.816 -2.726 1.00 0.00 C ATOM 127 CG2 ILE A 12 -1.788 6.231 -4.058 1.00 0.00 C ATOM 128 CD1 ILE A 12 0.634 8.378 -3.706 1.00 0.00 C ATOM 0 H ILE A 12 -1.745 3.862 -2.572 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.502 5.931 -0.876 1.00 0.00 H new ATOM 0 HB ILE A 12 0.178 5.836 -3.330 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.283 8.411 -2.773 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.024 7.917 -1.715 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.437 6.710 -4.972 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.992 5.179 -4.255 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.701 6.720 -3.719 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.833 9.422 -3.465 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.561 7.808 -3.643 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.233 8.309 -4.717 1.00 0.00 H new ATOM 140 N ALA A 13 -2.634 7.223 -0.489 1.00 0.00 N ATOM 141 CA ALA A 13 -3.901 7.815 -0.079 1.00 0.00 C ATOM 142 C ALA A 13 -4.533 8.603 -1.220 1.00 0.00 C ATOM 143 O ALA A 13 -3.899 9.480 -1.809 1.00 0.00 O ATOM 144 CB ALA A 13 -3.697 8.711 1.134 1.00 0.00 C ATOM 0 H ALA A 13 -1.811 7.662 -0.078 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.581 7.007 0.190 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.652 9.147 1.429 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.297 8.121 1.959 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.997 9.508 0.884 1.00 0.00 H new ATOM 150 N LEU A 14 -5.786 8.287 -1.529 1.00 0.00 N ATOM 151 CA LEU A 14 -6.505 8.965 -2.601 1.00 0.00 C ATOM 152 C LEU A 14 -7.177 10.235 -2.088 1.00 0.00 C ATOM 153 O LEU A 14 -7.344 11.204 -2.829 1.00 0.00 O ATOM 154 CB LEU A 14 -7.552 8.032 -3.211 1.00 0.00 C ATOM 155 CG LEU A 14 -7.031 6.696 -3.744 1.00 0.00 C ATOM 156 CD1 LEU A 14 -8.161 5.683 -3.842 1.00 0.00 C ATOM 157 CD2 LEU A 14 -6.364 6.887 -5.098 1.00 0.00 C ATOM 0 H LEU A 14 -6.325 7.565 -1.051 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.783 9.242 -3.369 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.312 7.828 -2.456 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.047 8.558 -4.027 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.287 6.312 -3.045 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.771 4.739 -4.223 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.594 5.525 -2.854 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -8.928 6.058 -4.519 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.999 5.927 -5.463 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.087 7.293 -5.806 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.527 7.578 -4.997 1.00 0.00 H new ATOM 169 N ARG A 15 -7.558 10.223 -0.815 1.00 0.00 N ATOM 170 CA ARG A 15 -8.211 11.374 -0.202 1.00 0.00 C ATOM 171 C ARG A 15 -7.726 11.575 1.230 1.00 0.00 C ATOM 172 O ARG A 15 -7.206 10.651 1.856 1.00 0.00 O ATOM 173 CB ARG A 15 -9.730 11.194 -0.217 1.00 0.00 C ATOM 174 CG ARG A 15 -10.189 9.851 0.327 1.00 0.00 C ATOM 175 CD ARG A 15 -11.582 9.942 0.931 1.00 0.00 C ATOM 176 NE ARG A 15 -12.627 9.793 -0.078 1.00 0.00 N ATOM 177 CZ ARG A 15 -13.925 9.872 0.192 1.00 0.00 C ATOM 178 NH1 ARG A 15 -14.336 10.096 1.432 1.00 0.00 N ATOM 179 NH2 ARG A 15 -14.816 9.725 -0.781 1.00 0.00 N ATOM 0 H ARG A 15 -7.426 9.429 -0.188 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.951 12.259 -0.783 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -10.188 11.990 0.370 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -10.091 11.305 -1.240 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -10.186 9.112 -0.474 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -9.485 9.504 1.083 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -11.699 9.169 1.691 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -11.697 10.903 1.433 1.00 0.00 H new ATOM 0 HE ARG A 15 -12.345 9.619 -1.043 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -13.655 10.208 2.183 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -15.334 10.156 1.636 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -14.504 9.551 -1.736 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -15.813 9.786 -0.573 1.00 0.00 H new ATOM 193 N SER A 16 -7.899 12.789 1.743 1.00 0.00 N ATOM 194 CA SER A 16 -7.475 13.113 3.101 1.00 0.00 C ATOM 195 C SER A 16 -8.400 12.466 4.127 1.00 0.00 C ATOM 196 O SER A 16 -9.619 12.628 4.070 1.00 0.00 O ATOM 197 CB SER A 16 -7.452 14.629 3.302 1.00 0.00 C ATOM 198 OG SER A 16 -8.761 15.140 3.484 1.00 0.00 O ATOM 0 H SER A 16 -8.330 13.564 1.239 1.00 0.00 H new ATOM 0 HA SER A 16 -6.469 12.719 3.246 1.00 0.00 H new ATOM 0 HB2 SER A 16 -6.839 14.875 4.169 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.989 15.106 2.438 1.00 0.00 H new ATOM 0 HG SER A 16 -8.718 16.111 3.612 1.00 0.00 H new ATOM 204 N TYR A 17 -7.811 11.733 5.065 1.00 0.00 N ATOM 205 CA TYR A 17 -8.581 11.059 6.104 1.00 0.00 C ATOM 206 C TYR A 17 -8.211 11.588 7.487 1.00 0.00 C ATOM 207 O TYR A 17 -7.445 10.961 8.219 1.00 0.00 O ATOM 208 CB TYR A 17 -8.345 9.549 6.044 1.00 0.00 C ATOM 209 CG TYR A 17 -9.400 8.742 6.768 1.00 0.00 C ATOM 210 CD1 TYR A 17 -10.718 8.732 6.328 1.00 0.00 C ATOM 211 CD2 TYR A 17 -9.079 7.992 7.892 1.00 0.00 C ATOM 212 CE1 TYR A 17 -11.685 7.997 6.986 1.00 0.00 C ATOM 213 CE2 TYR A 17 -10.039 7.253 8.556 1.00 0.00 C ATOM 214 CZ TYR A 17 -11.341 7.259 8.099 1.00 0.00 C ATOM 215 OH TYR A 17 -12.300 6.525 8.758 1.00 0.00 O ATOM 0 H TYR A 17 -6.803 11.590 5.127 1.00 0.00 H new ATOM 0 HA TYR A 17 -9.637 11.263 5.928 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -8.313 9.236 5.000 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -7.369 9.325 6.474 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -10.991 9.309 5.457 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -8.061 7.986 8.253 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -12.705 8.000 6.631 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -9.772 6.674 9.428 1.00 0.00 H new ATOM 0 HH TYR A 17 -11.892 6.063 9.520 1.00 0.00 H new ATOM 225 N ILE A 18 -8.761 12.746 7.836 1.00 0.00 N ATOM 226 CA ILE A 18 -8.491 13.359 9.131 1.00 0.00 C ATOM 227 C ILE A 18 -9.152 12.575 10.259 1.00 0.00 C ATOM 228 O ILE A 18 -10.357 12.321 10.231 1.00 0.00 O ATOM 229 CB ILE A 18 -8.983 14.818 9.176 1.00 0.00 C ATOM 230 CG1 ILE A 18 -8.420 15.606 7.992 1.00 0.00 C ATOM 231 CG2 ILE A 18 -8.585 15.470 10.492 1.00 0.00 C ATOM 232 CD1 ILE A 18 -6.917 15.769 8.034 1.00 0.00 C ATOM 0 H ILE A 18 -9.396 13.278 7.241 1.00 0.00 H new ATOM 0 HA ILE A 18 -7.410 13.345 9.268 1.00 0.00 H new ATOM 0 HB ILE A 18 -10.071 14.822 9.105 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -8.697 15.102 7.066 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -8.884 16.592 7.969 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -8.939 16.501 10.509 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -9.030 14.919 11.320 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.500 15.458 10.590 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -6.588 16.337 7.164 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.634 16.300 8.943 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.444 14.787 8.026 1.00 0.00 H new ATOM 244 N THR A 19 -8.357 12.195 11.254 1.00 0.00 N ATOM 245 CA THR A 19 -8.864 11.441 12.393 1.00 0.00 C ATOM 246 C THR A 19 -8.511 12.127 13.708 1.00 0.00 C ATOM 247 O THR A 19 -7.418 12.673 13.861 1.00 0.00 O ATOM 248 CB THR A 19 -8.306 10.005 12.410 1.00 0.00 C ATOM 249 OG1 THR A 19 -6.876 10.037 12.481 1.00 0.00 O ATOM 250 CG2 THR A 19 -8.740 9.241 11.169 1.00 0.00 C ATOM 0 H THR A 19 -7.358 12.398 11.294 1.00 0.00 H new ATOM 0 HA THR A 19 -9.948 11.400 12.287 1.00 0.00 H new ATOM 0 HB THR A 19 -8.702 9.495 13.288 1.00 0.00 H new ATOM 0 HG1 THR A 19 -6.528 9.121 12.493 1.00 0.00 H new ATOM 0 HG21 THR A 19 -8.334 8.230 11.204 1.00 0.00 H new ATOM 0 HG22 THR A 19 -9.828 9.194 11.133 1.00 0.00 H new ATOM 0 HG23 THR A 19 -8.369 9.751 10.280 1.00 0.00 H new ATOM 258 N ASP A 20 -9.442 12.095 14.655 1.00 0.00 N ATOM 259 CA ASP A 20 -9.229 12.712 15.959 1.00 0.00 C ATOM 260 C ASP A 20 -8.993 11.652 17.030 1.00 0.00 C ATOM 261 O ASP A 20 -9.328 11.850 18.197 1.00 0.00 O ATOM 262 CB ASP A 20 -10.429 13.581 16.338 1.00 0.00 C ATOM 263 CG ASP A 20 -11.750 12.873 16.112 1.00 0.00 C ATOM 264 OD1 ASP A 20 -12.062 12.556 14.945 1.00 0.00 O ATOM 265 OD2 ASP A 20 -12.473 12.636 17.103 1.00 0.00 O ATOM 0 H ASP A 20 -10.352 11.648 14.544 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.341 13.341 15.895 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -10.349 13.869 17.386 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -10.408 14.500 15.753 1.00 0.00 H new ATOM 270 N ASN A 21 -8.416 10.526 16.624 1.00 0.00 N ATOM 271 CA ASN A 21 -8.137 9.433 17.549 1.00 0.00 C ATOM 272 C ASN A 21 -6.752 8.847 17.297 1.00 0.00 C ATOM 273 O ASN A 21 -6.097 9.178 16.308 1.00 0.00 O ATOM 274 CB ASN A 21 -9.199 8.340 17.414 1.00 0.00 C ATOM 275 CG ASN A 21 -10.575 8.814 17.839 1.00 0.00 C ATOM 276 OD1 ASN A 21 -11.304 9.421 17.055 1.00 0.00 O ATOM 277 ND2 ASN A 21 -10.937 8.539 19.087 1.00 0.00 N ATOM 0 H ASN A 21 -8.132 10.346 15.661 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.163 9.832 18.563 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -9.238 8.002 16.379 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -8.911 7.481 18.020 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -11.852 8.834 19.429 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -10.301 8.033 19.703 1.00 0.00 H new ATOM 284 N CYS A 22 -6.312 7.974 18.197 1.00 0.00 N ATOM 285 CA CYS A 22 -5.004 7.341 18.072 1.00 0.00 C ATOM 286 C CYS A 22 -5.115 6.002 17.350 1.00 0.00 C ATOM 287 O CYS A 22 -4.285 5.672 16.503 1.00 0.00 O ATOM 288 CB CYS A 22 -4.378 7.140 19.453 1.00 0.00 C ATOM 289 SG CYS A 22 -3.862 8.673 20.260 1.00 0.00 S ATOM 0 H CYS A 22 -6.842 7.689 19.021 1.00 0.00 H new ATOM 0 HA CYS A 22 -4.364 7.998 17.483 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -5.096 6.628 20.094 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -3.513 6.484 19.356 1.00 0.00 H new ATOM 0 HG CYS A 22 -3.347 8.400 21.422 1.00 0.00 H new ATOM 295 N SER A 23 -6.144 5.234 17.693 1.00 0.00 N ATOM 296 CA SER A 23 -6.360 3.928 17.082 1.00 0.00 C ATOM 297 C SER A 23 -6.332 4.030 15.560 1.00 0.00 C ATOM 298 O SER A 23 -5.708 3.212 14.883 1.00 0.00 O ATOM 299 CB SER A 23 -7.697 3.342 17.541 1.00 0.00 C ATOM 300 OG SER A 23 -7.685 3.073 18.932 1.00 0.00 O ATOM 0 H SER A 23 -6.841 5.494 18.391 1.00 0.00 H new ATOM 0 HA SER A 23 -5.554 3.267 17.400 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.502 4.039 17.309 1.00 0.00 H new ATOM 0 HB3 SER A 23 -7.903 2.423 16.992 1.00 0.00 H new ATOM 0 HG SER A 23 -8.551 2.701 19.201 1.00 0.00 H new ATOM 306 N LEU A 24 -7.014 5.038 15.028 1.00 0.00 N ATOM 307 CA LEU A 24 -7.068 5.248 13.585 1.00 0.00 C ATOM 308 C LEU A 24 -5.805 5.944 13.088 1.00 0.00 C ATOM 309 O LEU A 24 -4.947 6.336 13.880 1.00 0.00 O ATOM 310 CB LEU A 24 -8.299 6.078 13.217 1.00 0.00 C ATOM 311 CG LEU A 24 -9.634 5.582 13.774 1.00 0.00 C ATOM 312 CD1 LEU A 24 -10.594 6.745 13.975 1.00 0.00 C ATOM 313 CD2 LEU A 24 -10.244 4.539 12.849 1.00 0.00 C ATOM 0 H LEU A 24 -7.537 5.723 15.574 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.137 4.273 13.103 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.141 7.099 13.563 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -8.374 6.118 12.130 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.451 5.117 14.743 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -11.538 6.373 14.372 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.161 7.457 14.677 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.771 7.240 13.020 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.193 4.198 13.262 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -10.413 4.979 11.866 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.563 3.693 12.756 1.00 0.00 H new ATOM 325 N LEU A 25 -5.698 6.096 11.773 1.00 0.00 N ATOM 326 CA LEU A 25 -4.541 6.746 11.169 1.00 0.00 C ATOM 327 C LEU A 25 -4.939 8.060 10.504 1.00 0.00 C ATOM 328 O LEU A 25 -5.993 8.153 9.874 1.00 0.00 O ATOM 329 CB LEU A 25 -3.887 5.819 10.143 1.00 0.00 C ATOM 330 CG LEU A 25 -2.721 6.411 9.350 1.00 0.00 C ATOM 331 CD1 LEU A 25 -1.577 6.782 10.281 1.00 0.00 C ATOM 332 CD2 LEU A 25 -2.249 5.432 8.285 1.00 0.00 C ATOM 0 H LEU A 25 -6.399 5.778 11.104 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.824 6.964 11.961 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.532 4.929 10.662 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.652 5.494 9.438 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.067 7.318 8.853 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.756 7.202 9.699 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.922 7.519 11.006 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.232 5.891 10.806 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.419 5.870 7.731 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.920 4.508 8.760 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.069 5.216 7.600 1.00 0.00 H new ATOM 344 N SER A 26 -4.090 9.072 10.648 1.00 0.00 N ATOM 345 CA SER A 26 -4.354 10.381 10.062 1.00 0.00 C ATOM 346 C SER A 26 -3.349 10.695 8.958 1.00 0.00 C ATOM 347 O SER A 26 -2.143 10.755 9.200 1.00 0.00 O ATOM 348 CB SER A 26 -4.301 11.465 11.140 1.00 0.00 C ATOM 349 OG SER A 26 -2.963 11.814 11.447 1.00 0.00 O ATOM 0 H SER A 26 -3.213 9.011 11.166 1.00 0.00 H new ATOM 0 HA SER A 26 -5.352 10.362 9.625 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.841 12.348 10.799 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.804 11.112 12.040 1.00 0.00 H new ATOM 0 HG SER A 26 -2.351 11.230 10.953 1.00 0.00 H new ATOM 355 N PHE A 27 -3.854 10.896 7.746 1.00 0.00 N ATOM 356 CA PHE A 27 -3.002 11.204 6.604 1.00 0.00 C ATOM 357 C PHE A 27 -3.749 12.054 5.581 1.00 0.00 C ATOM 358 O PHE A 27 -4.967 12.215 5.661 1.00 0.00 O ATOM 359 CB PHE A 27 -2.507 9.913 5.947 1.00 0.00 C ATOM 360 CG PHE A 27 -3.608 9.088 5.344 1.00 0.00 C ATOM 361 CD1 PHE A 27 -4.309 9.544 4.240 1.00 0.00 C ATOM 362 CD2 PHE A 27 -3.940 7.855 5.882 1.00 0.00 C ATOM 363 CE1 PHE A 27 -5.323 8.787 3.684 1.00 0.00 C ATOM 364 CE2 PHE A 27 -4.953 7.092 5.330 1.00 0.00 C ATOM 365 CZ PHE A 27 -5.644 7.559 4.229 1.00 0.00 C ATOM 0 H PHE A 27 -4.850 10.851 7.529 1.00 0.00 H new ATOM 0 HA PHE A 27 -2.145 11.772 6.965 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.784 10.164 5.170 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.981 9.315 6.691 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.060 10.502 3.808 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.402 7.485 6.742 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.864 9.155 2.825 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.203 6.133 5.759 1.00 0.00 H new ATOM 0 HZ PHE A 27 -6.434 6.965 3.795 1.00 0.00 H new ATOM 375 N HIS A 28 -3.010 12.597 4.618 1.00 0.00 N ATOM 376 CA HIS A 28 -3.602 13.432 3.579 1.00 0.00 C ATOM 377 C HIS A 28 -3.604 12.707 2.236 1.00 0.00 C ATOM 378 O HIS A 28 -3.113 11.583 2.125 1.00 0.00 O ATOM 379 CB HIS A 28 -2.838 14.751 3.458 1.00 0.00 C ATOM 380 CG HIS A 28 -3.130 15.716 4.565 1.00 0.00 C ATOM 381 ND1 HIS A 28 -3.165 17.082 4.383 1.00 0.00 N ATOM 382 CD2 HIS A 28 -3.404 15.505 5.874 1.00 0.00 C ATOM 383 CE1 HIS A 28 -3.446 17.670 5.532 1.00 0.00 C ATOM 384 NE2 HIS A 28 -3.596 16.736 6.452 1.00 0.00 N ATOM 0 H HIS A 28 -2.001 12.474 4.536 1.00 0.00 H new ATOM 0 HA HIS A 28 -4.634 13.643 3.860 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -1.768 14.542 3.442 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -3.085 15.218 2.505 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -3.461 14.548 6.371 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -3.537 18.734 5.691 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -3.819 16.901 7.434 1.00 0.00 H new ATOM 393 N ARG A 29 -4.161 13.356 1.219 1.00 0.00 N ATOM 394 CA ARG A 29 -4.230 12.773 -0.115 1.00 0.00 C ATOM 395 C ARG A 29 -2.845 12.708 -0.752 1.00 0.00 C ATOM 396 O ARG A 29 -2.253 13.736 -1.079 1.00 0.00 O ATOM 397 CB ARG A 29 -5.174 13.585 -1.003 1.00 0.00 C ATOM 398 CG ARG A 29 -5.137 13.177 -2.466 1.00 0.00 C ATOM 399 CD ARG A 29 -6.368 13.665 -3.213 1.00 0.00 C ATOM 400 NE ARG A 29 -6.214 15.039 -3.683 1.00 0.00 N ATOM 401 CZ ARG A 29 -7.092 15.650 -4.471 1.00 0.00 C ATOM 402 NH1 ARG A 29 -8.182 15.011 -4.874 1.00 0.00 N ATOM 403 NH2 ARG A 29 -6.881 16.902 -4.856 1.00 0.00 N ATOM 0 H ARG A 29 -4.571 14.287 1.294 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.616 11.758 -0.020 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.193 13.477 -0.630 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.916 14.641 -0.923 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.241 13.583 -2.935 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.072 12.091 -2.540 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.559 13.010 -4.063 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.238 13.601 -2.559 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.386 15.558 -3.390 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -8.347 14.049 -4.579 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.855 15.482 -5.479 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.044 17.396 -4.547 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -7.556 17.370 -5.461 1.00 0.00 H new ATOM 417 N GLY A 30 -2.334 11.493 -0.924 1.00 0.00 N ATOM 418 CA GLY A 30 -1.022 11.317 -1.520 1.00 0.00 C ATOM 419 C GLY A 30 -0.041 10.651 -0.576 1.00 0.00 C ATOM 420 O GLY A 30 0.870 9.947 -1.013 1.00 0.00 O ATOM 0 H GLY A 30 -2.805 10.627 -0.661 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -1.115 10.717 -2.425 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.630 12.288 -1.821 1.00 0.00 H new ATOM 424 N ASP A 31 -0.225 10.874 0.720 1.00 0.00 N ATOM 425 CA ASP A 31 0.652 10.290 1.729 1.00 0.00 C ATOM 426 C ASP A 31 0.647 8.768 1.637 1.00 0.00 C ATOM 427 O ASP A 31 -0.321 8.114 2.029 1.00 0.00 O ATOM 428 CB ASP A 31 0.219 10.731 3.128 1.00 0.00 C ATOM 429 CG ASP A 31 0.659 12.145 3.451 1.00 0.00 C ATOM 430 OD1 ASP A 31 1.801 12.506 3.099 1.00 0.00 O ATOM 431 OD2 ASP A 31 -0.138 12.891 4.058 1.00 0.00 O ATOM 0 H ASP A 31 -0.974 11.455 1.097 1.00 0.00 H new ATOM 0 HA ASP A 31 1.666 10.644 1.543 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -0.866 10.664 3.207 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.635 10.046 3.867 1.00 0.00 H new ATOM 436 N LEU A 32 1.734 8.208 1.117 1.00 0.00 N ATOM 437 CA LEU A 32 1.855 6.762 0.972 1.00 0.00 C ATOM 438 C LEU A 32 1.768 6.070 2.329 1.00 0.00 C ATOM 439 O LEU A 32 2.402 6.495 3.295 1.00 0.00 O ATOM 440 CB LEU A 32 3.178 6.407 0.290 1.00 0.00 C ATOM 441 CG LEU A 32 3.224 5.054 -0.421 1.00 0.00 C ATOM 442 CD1 LEU A 32 4.295 5.054 -1.500 1.00 0.00 C ATOM 443 CD2 LEU A 32 3.472 3.934 0.579 1.00 0.00 C ATOM 0 H LEU A 32 2.544 8.734 0.789 1.00 0.00 H new ATOM 0 HA LEU A 32 1.029 6.413 0.353 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.409 7.185 -0.437 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.968 6.428 1.041 1.00 0.00 H new ATOM 0 HG LEU A 32 2.258 4.882 -0.897 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.313 4.083 -1.995 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.074 5.831 -2.232 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.267 5.248 -1.047 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.502 2.979 0.055 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.424 4.101 1.084 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.669 3.919 1.315 1.00 0.00 H new ATOM 455 N ILE A 33 0.982 5.001 2.393 1.00 0.00 N ATOM 456 CA ILE A 33 0.815 4.249 3.630 1.00 0.00 C ATOM 457 C ILE A 33 1.484 2.881 3.536 1.00 0.00 C ATOM 458 O ILE A 33 0.958 1.962 2.909 1.00 0.00 O ATOM 459 CB ILE A 33 -0.673 4.057 3.977 1.00 0.00 C ATOM 460 CG1 ILE A 33 -1.367 5.414 4.110 1.00 0.00 C ATOM 461 CG2 ILE A 33 -0.819 3.253 5.260 1.00 0.00 C ATOM 462 CD1 ILE A 33 -2.851 5.365 3.823 1.00 0.00 C ATOM 0 H ILE A 33 0.451 4.636 1.602 1.00 0.00 H new ATOM 0 HA ILE A 33 1.291 4.831 4.419 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.151 3.503 3.169 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.213 5.794 5.120 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.896 6.122 3.428 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.877 3.126 5.491 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.356 2.275 5.131 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.329 3.781 6.078 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.277 6.362 3.936 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.013 5.015 2.803 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -3.334 4.682 4.522 1.00 0.00 H new ATOM 474 N LYS A 34 2.646 2.753 4.166 1.00 0.00 N ATOM 475 CA LYS A 34 3.387 1.497 4.158 1.00 0.00 C ATOM 476 C LYS A 34 2.590 0.390 4.840 1.00 0.00 C ATOM 477 O LYS A 34 2.148 0.542 5.980 1.00 0.00 O ATOM 478 CB LYS A 34 4.737 1.673 4.857 1.00 0.00 C ATOM 479 CG LYS A 34 5.649 0.464 4.732 1.00 0.00 C ATOM 480 CD LYS A 34 6.782 0.514 5.743 1.00 0.00 C ATOM 481 CE LYS A 34 7.673 -0.715 5.643 1.00 0.00 C ATOM 482 NZ LYS A 34 7.019 -1.922 6.219 1.00 0.00 N ATOM 0 H LYS A 34 3.096 3.504 4.689 1.00 0.00 H new ATOM 0 HA LYS A 34 3.557 1.211 3.120 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.242 2.544 4.439 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.565 1.881 5.913 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.069 -0.447 4.879 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.061 0.421 3.724 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.378 1.411 5.579 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.370 0.585 6.750 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.921 -0.900 4.598 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.611 -0.527 6.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 7.153 -2.729 5.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 7.445 -2.140 7.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.002 -1.741 6.340 1.00 0.00 H new ATOM 496 N LEU A 35 2.411 -0.723 4.138 1.00 0.00 N ATOM 497 CA LEU A 35 1.668 -1.856 4.677 1.00 0.00 C ATOM 498 C LEU A 35 2.510 -2.628 5.688 1.00 0.00 C ATOM 499 O LEU A 35 3.453 -3.330 5.319 1.00 0.00 O ATOM 500 CB LEU A 35 1.228 -2.788 3.546 1.00 0.00 C ATOM 501 CG LEU A 35 0.193 -2.220 2.573 1.00 0.00 C ATOM 502 CD1 LEU A 35 -0.186 -3.260 1.530 1.00 0.00 C ATOM 503 CD2 LEU A 35 -1.040 -1.743 3.326 1.00 0.00 C ATOM 0 H LEU A 35 2.770 -0.865 3.194 1.00 0.00 H new ATOM 0 HA LEU A 35 0.785 -1.470 5.186 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.111 -3.079 2.977 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.821 -3.697 3.989 1.00 0.00 H new ATOM 0 HG LEU A 35 0.634 -1.366 2.060 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.923 -2.838 0.847 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.702 -3.554 0.970 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.609 -4.134 2.025 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.766 -1.342 2.619 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.483 -2.580 3.866 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.755 -0.965 4.034 1.00 0.00 H new ATOM 515 N LEU A 36 2.163 -2.496 6.963 1.00 0.00 N ATOM 516 CA LEU A 36 2.885 -3.183 8.028 1.00 0.00 C ATOM 517 C LEU A 36 2.367 -4.606 8.208 1.00 0.00 C ATOM 518 O LEU A 36 1.215 -4.916 7.903 1.00 0.00 O ATOM 519 CB LEU A 36 2.752 -2.410 9.342 1.00 0.00 C ATOM 520 CG LEU A 36 3.432 -1.041 9.387 1.00 0.00 C ATOM 521 CD1 LEU A 36 3.063 -0.304 10.664 1.00 0.00 C ATOM 522 CD2 LEU A 36 4.942 -1.192 9.273 1.00 0.00 C ATOM 0 H LEU A 36 1.386 -1.919 7.285 1.00 0.00 H new ATOM 0 HA LEU A 36 3.937 -3.232 7.747 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.692 -2.274 9.555 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.162 -3.024 10.144 1.00 0.00 H new ATOM 0 HG LEU A 36 3.081 -0.454 8.539 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.556 0.668 10.679 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.983 -0.164 10.704 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.385 -0.887 11.527 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.410 -0.208 9.307 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.311 -1.798 10.101 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.189 -1.679 8.329 1.00 0.00 H new ATOM 534 N PRO A 37 3.235 -5.493 8.716 1.00 0.00 N ATOM 535 CA PRO A 37 2.887 -6.897 8.950 1.00 0.00 C ATOM 536 C PRO A 37 1.894 -7.065 10.096 1.00 0.00 C ATOM 537 O PRO A 37 2.180 -6.701 11.237 1.00 0.00 O ATOM 538 CB PRO A 37 4.229 -7.541 9.307 1.00 0.00 C ATOM 539 CG PRO A 37 5.052 -6.425 9.850 1.00 0.00 C ATOM 540 CD PRO A 37 4.624 -5.192 9.101 1.00 0.00 C ATOM 0 HA PRO A 37 2.400 -7.346 8.084 1.00 0.00 H new ATOM 0 HB2 PRO A 37 4.104 -8.335 10.043 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.698 -7.989 8.431 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.890 -6.306 10.921 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.115 -6.619 9.707 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.684 -4.301 9.726 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.253 -5.013 8.229 1.00 0.00 H new ATOM 548 N VAL A 38 0.727 -7.619 9.785 1.00 0.00 N ATOM 549 CA VAL A 38 -0.308 -7.836 10.789 1.00 0.00 C ATOM 550 C VAL A 38 -0.800 -9.279 10.767 1.00 0.00 C ATOM 551 O VAL A 38 -0.865 -9.907 9.711 1.00 0.00 O ATOM 552 CB VAL A 38 -1.506 -6.893 10.574 1.00 0.00 C ATOM 553 CG1 VAL A 38 -2.034 -7.015 9.152 1.00 0.00 C ATOM 554 CG2 VAL A 38 -2.604 -7.187 11.586 1.00 0.00 C ATOM 0 H VAL A 38 0.474 -7.926 8.846 1.00 0.00 H new ATOM 0 HA VAL A 38 0.142 -7.623 11.759 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.170 -5.867 10.724 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.880 -6.341 9.019 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.246 -6.751 8.447 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.355 -8.041 8.970 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.443 -6.511 11.419 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.940 -8.218 11.470 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.217 -7.043 12.595 1.00 0.00 H new ATOM 564 N ALA A 39 -1.147 -9.798 11.941 1.00 0.00 N ATOM 565 CA ALA A 39 -1.637 -11.166 12.056 1.00 0.00 C ATOM 566 C ALA A 39 -2.954 -11.342 11.308 1.00 0.00 C ATOM 567 O ALA A 39 -3.059 -12.168 10.401 1.00 0.00 O ATOM 568 CB ALA A 39 -1.804 -11.544 13.520 1.00 0.00 C ATOM 0 H ALA A 39 -1.098 -9.292 12.825 1.00 0.00 H new ATOM 0 HA ALA A 39 -0.901 -11.830 11.602 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.171 -12.568 13.592 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.843 -11.466 14.028 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.519 -10.869 13.991 1.00 0.00 H new ATOM 574 N THR A 40 -3.958 -10.562 11.695 1.00 0.00 N ATOM 575 CA THR A 40 -5.269 -10.634 11.062 1.00 0.00 C ATOM 576 C THR A 40 -5.969 -9.280 11.092 1.00 0.00 C ATOM 577 O THR A 40 -5.845 -8.526 12.058 1.00 0.00 O ATOM 578 CB THR A 40 -6.168 -11.678 11.750 1.00 0.00 C ATOM 579 OG1 THR A 40 -7.226 -12.071 10.868 1.00 0.00 O ATOM 580 CG2 THR A 40 -6.756 -11.123 13.039 1.00 0.00 C ATOM 0 H THR A 40 -3.888 -9.873 12.444 1.00 0.00 H new ATOM 0 HA THR A 40 -5.104 -10.932 10.027 1.00 0.00 H new ATOM 0 HB THR A 40 -5.556 -12.547 11.993 1.00 0.00 H new ATOM 0 HG1 THR A 40 -7.792 -12.736 11.312 1.00 0.00 H new ATOM 0 HG21 THR A 40 -7.387 -11.879 13.506 1.00 0.00 H new ATOM 0 HG22 THR A 40 -5.949 -10.852 13.720 1.00 0.00 H new ATOM 0 HG23 THR A 40 -7.354 -10.239 12.815 1.00 0.00 H new ATOM 588 N LEU A 41 -6.705 -8.976 10.029 1.00 0.00 N ATOM 589 CA LEU A 41 -7.426 -7.712 9.933 1.00 0.00 C ATOM 590 C LEU A 41 -8.901 -7.948 9.620 1.00 0.00 C ATOM 591 O LEU A 41 -9.350 -9.090 9.529 1.00 0.00 O ATOM 592 CB LEU A 41 -6.800 -6.825 8.855 1.00 0.00 C ATOM 593 CG LEU A 41 -5.615 -5.966 9.298 1.00 0.00 C ATOM 594 CD1 LEU A 41 -4.888 -5.396 8.090 1.00 0.00 C ATOM 595 CD2 LEU A 41 -6.080 -4.848 10.219 1.00 0.00 C ATOM 0 H LEU A 41 -6.818 -9.588 9.221 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.354 -7.208 10.897 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.474 -7.462 8.033 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.573 -6.166 8.461 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.920 -6.598 9.850 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.048 -4.788 8.425 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.520 -6.212 7.468 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.574 -4.779 7.510 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.223 -4.248 10.524 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.796 -4.217 9.693 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.554 -5.277 11.101 1.00 0.00 H new ATOM 607 N GLU A 42 -9.647 -6.860 9.455 1.00 0.00 N ATOM 608 CA GLU A 42 -11.070 -6.950 9.151 1.00 0.00 C ATOM 609 C GLU A 42 -11.324 -6.719 7.664 1.00 0.00 C ATOM 610 O GLU A 42 -10.501 -6.148 6.949 1.00 0.00 O ATOM 611 CB GLU A 42 -11.857 -5.932 9.979 1.00 0.00 C ATOM 612 CG GLU A 42 -12.323 -6.469 11.321 1.00 0.00 C ATOM 613 CD GLU A 42 -11.174 -6.734 12.275 1.00 0.00 C ATOM 614 OE1 GLU A 42 -10.449 -7.729 12.066 1.00 0.00 O ATOM 615 OE2 GLU A 42 -11.001 -5.947 13.229 1.00 0.00 O ATOM 0 H GLU A 42 -9.290 -5.907 9.527 1.00 0.00 H new ATOM 0 HA GLU A 42 -11.408 -7.954 9.408 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.235 -5.053 10.145 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -12.725 -5.604 9.407 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -13.010 -5.755 11.775 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.881 -7.392 11.165 1.00 0.00 H new ATOM 622 N PRO A 43 -12.492 -7.173 7.186 1.00 0.00 N ATOM 623 CA PRO A 43 -12.883 -7.028 5.781 1.00 0.00 C ATOM 624 C PRO A 43 -13.182 -5.579 5.409 1.00 0.00 C ATOM 625 O PRO A 43 -14.334 -5.148 5.432 1.00 0.00 O ATOM 626 CB PRO A 43 -14.150 -7.880 5.675 1.00 0.00 C ATOM 627 CG PRO A 43 -14.707 -7.904 7.057 1.00 0.00 C ATOM 628 CD PRO A 43 -13.522 -7.863 7.981 1.00 0.00 C ATOM 0 HA PRO A 43 -12.088 -7.337 5.103 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -14.860 -7.448 4.970 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -13.922 -8.886 5.322 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -15.365 -7.052 7.228 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -15.301 -8.803 7.223 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -13.748 -7.323 8.901 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -13.203 -8.864 8.270 1.00 0.00 H new ATOM 636 N GLY A 44 -12.137 -4.833 5.067 1.00 0.00 N ATOM 637 CA GLY A 44 -12.309 -3.441 4.695 1.00 0.00 C ATOM 638 C GLY A 44 -11.317 -2.528 5.387 1.00 0.00 C ATOM 639 O GLY A 44 -10.963 -1.472 4.862 1.00 0.00 O ATOM 0 H GLY A 44 -11.174 -5.168 5.041 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -12.198 -3.341 3.615 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -13.322 -3.125 4.942 1.00 0.00 H new ATOM 643 N TRP A 45 -10.868 -2.934 6.570 1.00 0.00 N ATOM 644 CA TRP A 45 -9.912 -2.144 7.336 1.00 0.00 C ATOM 645 C TRP A 45 -8.480 -2.535 6.988 1.00 0.00 C ATOM 646 O TRP A 45 -8.198 -3.697 6.699 1.00 0.00 O ATOM 647 CB TRP A 45 -10.153 -2.326 8.835 1.00 0.00 C ATOM 648 CG TRP A 45 -11.389 -1.636 9.326 1.00 0.00 C ATOM 649 CD1 TRP A 45 -12.617 -2.199 9.531 1.00 0.00 C ATOM 650 CD2 TRP A 45 -11.518 -0.253 9.673 1.00 0.00 C ATOM 651 NE1 TRP A 45 -13.500 -1.249 9.983 1.00 0.00 N ATOM 652 CE2 TRP A 45 -12.851 -0.047 10.080 1.00 0.00 C ATOM 653 CE3 TRP A 45 -10.637 0.832 9.681 1.00 0.00 C ATOM 654 CZ2 TRP A 45 -13.321 1.198 10.488 1.00 0.00 C ATOM 655 CZ3 TRP A 45 -11.105 2.067 10.086 1.00 0.00 C ATOM 656 CH2 TRP A 45 -12.436 2.242 10.486 1.00 0.00 C ATOM 0 H TRP A 45 -11.151 -3.805 7.019 1.00 0.00 H new ATOM 0 HA TRP A 45 -10.056 -1.095 7.077 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -10.227 -3.391 9.057 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -9.291 -1.945 9.383 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -12.858 -3.238 9.362 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -14.481 -1.412 10.210 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -9.609 0.707 9.376 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -14.347 1.335 10.795 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -10.433 2.912 10.094 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -12.770 3.220 10.799 1.00 0.00 H new ATOM 667 N GLN A 46 -7.580 -1.557 7.018 1.00 0.00 N ATOM 668 CA GLN A 46 -6.177 -1.801 6.705 1.00 0.00 C ATOM 669 C GLN A 46 -5.276 -1.343 7.847 1.00 0.00 C ATOM 670 O GLN A 46 -5.656 -0.485 8.645 1.00 0.00 O ATOM 671 CB GLN A 46 -5.788 -1.080 5.413 1.00 0.00 C ATOM 672 CG GLN A 46 -6.460 -1.649 4.173 1.00 0.00 C ATOM 673 CD GLN A 46 -5.812 -2.934 3.696 1.00 0.00 C ATOM 674 OE1 GLN A 46 -6.010 -3.997 4.284 1.00 0.00 O ATOM 675 NE2 GLN A 46 -5.033 -2.842 2.625 1.00 0.00 N ATOM 0 H GLN A 46 -7.797 -0.589 7.256 1.00 0.00 H new ATOM 0 HA GLN A 46 -6.043 -2.874 6.569 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -6.045 -0.025 5.504 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -4.707 -1.135 5.288 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -7.512 -1.835 4.388 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -6.424 -0.910 3.373 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -4.897 -1.940 2.169 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -4.570 -3.674 2.258 1.00 0.00 H new ATOM 684 N PHE A 47 -4.082 -1.920 7.921 1.00 0.00 N ATOM 685 CA PHE A 47 -3.127 -1.572 8.967 1.00 0.00 C ATOM 686 C PHE A 47 -1.762 -1.242 8.370 1.00 0.00 C ATOM 687 O PHE A 47 -1.190 -2.037 7.624 1.00 0.00 O ATOM 688 CB PHE A 47 -2.994 -2.721 9.968 1.00 0.00 C ATOM 689 CG PHE A 47 -2.100 -2.402 11.132 1.00 0.00 C ATOM 690 CD1 PHE A 47 -2.505 -1.506 12.108 1.00 0.00 C ATOM 691 CD2 PHE A 47 -0.855 -2.997 11.250 1.00 0.00 C ATOM 692 CE1 PHE A 47 -1.684 -1.210 13.180 1.00 0.00 C ATOM 693 CE2 PHE A 47 -0.029 -2.705 12.320 1.00 0.00 C ATOM 694 CZ PHE A 47 -0.445 -1.811 13.286 1.00 0.00 C ATOM 0 H PHE A 47 -3.752 -2.631 7.269 1.00 0.00 H new ATOM 0 HA PHE A 47 -3.500 -0.689 9.485 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.984 -2.983 10.342 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -2.605 -3.599 9.452 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.473 -1.033 12.030 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -0.525 -3.698 10.497 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.011 -0.509 13.934 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.940 -3.176 12.400 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.197 -1.582 14.123 1.00 0.00 H new ATOM 704 N GLY A 48 -1.246 -0.063 8.703 1.00 0.00 N ATOM 705 CA GLY A 48 0.047 0.352 8.191 1.00 0.00 C ATOM 706 C GLY A 48 0.514 1.664 8.791 1.00 0.00 C ATOM 707 O GLY A 48 -0.155 2.232 9.654 1.00 0.00 O ATOM 0 H GLY A 48 -1.700 0.612 9.318 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.784 -0.423 8.402 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.010 0.451 7.107 1.00 0.00 H new ATOM 711 N SER A 49 1.666 2.144 8.335 1.00 0.00 N ATOM 712 CA SER A 49 2.225 3.394 8.837 1.00 0.00 C ATOM 713 C SER A 49 2.288 4.443 7.731 1.00 0.00 C ATOM 714 O SER A 49 2.494 4.118 6.562 1.00 0.00 O ATOM 715 CB SER A 49 3.623 3.158 9.412 1.00 0.00 C ATOM 716 OG SER A 49 3.559 2.820 10.786 1.00 0.00 O ATOM 0 H SER A 49 2.231 1.687 7.619 1.00 0.00 H new ATOM 0 HA SER A 49 1.573 3.763 9.628 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.116 2.358 8.860 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.229 4.055 9.283 1.00 0.00 H new ATOM 0 HG SER A 49 4.436 2.503 11.086 1.00 0.00 H new ATOM 722 N ALA A 50 2.110 5.705 8.110 1.00 0.00 N ATOM 723 CA ALA A 50 2.148 6.803 7.152 1.00 0.00 C ATOM 724 C ALA A 50 3.283 7.770 7.472 1.00 0.00 C ATOM 725 O ALA A 50 3.196 8.962 7.180 1.00 0.00 O ATOM 726 CB ALA A 50 0.815 7.536 7.136 1.00 0.00 C ATOM 0 H ALA A 50 1.938 5.992 9.074 1.00 0.00 H new ATOM 0 HA ALA A 50 2.331 6.384 6.162 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.858 8.353 6.416 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.022 6.844 6.852 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.608 7.937 8.128 1.00 0.00 H new ATOM 732 N GLY A 51 4.347 7.249 8.074 1.00 0.00 N ATOM 733 CA GLY A 51 5.483 8.082 8.424 1.00 0.00 C ATOM 734 C GLY A 51 6.000 7.800 9.821 1.00 0.00 C ATOM 735 O GLY A 51 7.090 7.255 9.989 1.00 0.00 O ATOM 0 H GLY A 51 4.443 6.265 8.326 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.285 7.919 7.704 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.197 9.131 8.351 1.00 0.00 H new ATOM 739 N GLY A 52 5.215 8.173 10.828 1.00 0.00 N ATOM 740 CA GLY A 52 5.618 7.951 12.204 1.00 0.00 C ATOM 741 C GLY A 52 4.499 7.375 13.049 1.00 0.00 C ATOM 742 O GLY A 52 4.748 6.616 13.986 1.00 0.00 O ATOM 0 H GLY A 52 4.308 8.625 10.715 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.471 7.273 12.225 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.950 8.894 12.639 1.00 0.00 H new ATOM 746 N ARG A 53 3.264 7.736 12.719 1.00 0.00 N ATOM 747 CA ARG A 53 2.103 7.252 13.457 1.00 0.00 C ATOM 748 C ARG A 53 1.486 6.041 12.765 1.00 0.00 C ATOM 749 O ARG A 53 1.532 5.922 11.541 1.00 0.00 O ATOM 750 CB ARG A 53 1.060 8.363 13.593 1.00 0.00 C ATOM 751 CG ARG A 53 1.481 9.483 14.530 1.00 0.00 C ATOM 752 CD ARG A 53 0.439 10.590 14.577 1.00 0.00 C ATOM 753 NE ARG A 53 1.031 11.884 14.907 1.00 0.00 N ATOM 754 CZ ARG A 53 0.321 12.945 15.273 1.00 0.00 C ATOM 755 NH1 ARG A 53 -1.000 12.866 15.356 1.00 0.00 N ATOM 756 NH2 ARG A 53 0.931 14.088 15.558 1.00 0.00 N ATOM 0 H ARG A 53 3.041 8.362 11.945 1.00 0.00 H new ATOM 0 HA ARG A 53 2.434 6.951 14.451 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.858 8.782 12.607 1.00 0.00 H new ATOM 0 HB3 ARG A 53 0.126 7.931 13.953 1.00 0.00 H new ATOM 0 HG2 ARG A 53 1.634 9.083 15.532 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.436 9.894 14.202 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.063 10.656 13.612 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.322 10.340 15.316 1.00 0.00 H new ATOM 0 HE ARG A 53 2.045 11.978 14.853 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.473 11.989 15.139 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.543 13.682 15.637 1.00 0.00 H new ATOM 0 HH21 ARG A 53 1.947 14.153 15.496 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.384 14.902 15.839 1.00 0.00 H new ATOM 770 N SER A 54 0.908 5.144 13.558 1.00 0.00 N ATOM 771 CA SER A 54 0.285 3.939 13.022 1.00 0.00 C ATOM 772 C SER A 54 -1.186 3.864 13.423 1.00 0.00 C ATOM 773 O SER A 54 -1.541 4.118 14.573 1.00 0.00 O ATOM 774 CB SER A 54 1.024 2.694 13.516 1.00 0.00 C ATOM 775 OG SER A 54 0.987 2.607 14.930 1.00 0.00 O ATOM 0 H SER A 54 0.858 5.229 14.573 1.00 0.00 H new ATOM 0 HA SER A 54 0.346 3.981 11.935 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.572 1.802 13.082 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.060 2.723 13.177 1.00 0.00 H new ATOM 0 HG SER A 54 0.159 3.013 15.261 1.00 0.00 H new ATOM 781 N GLY A 55 -2.037 3.513 12.463 1.00 0.00 N ATOM 782 CA GLY A 55 -3.459 3.411 12.734 1.00 0.00 C ATOM 783 C GLY A 55 -4.184 2.561 11.710 1.00 0.00 C ATOM 784 O GLY A 55 -3.570 2.037 10.779 1.00 0.00 O ATOM 0 H GLY A 55 -1.767 3.298 11.503 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.607 2.985 13.726 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.896 4.410 12.748 1.00 0.00 H new ATOM 788 N LEU A 56 -5.494 2.421 11.882 1.00 0.00 N ATOM 789 CA LEU A 56 -6.305 1.626 10.965 1.00 0.00 C ATOM 790 C LEU A 56 -7.099 2.524 10.022 1.00 0.00 C ATOM 791 O LEU A 56 -7.975 3.274 10.453 1.00 0.00 O ATOM 792 CB LEU A 56 -7.258 0.721 11.749 1.00 0.00 C ATOM 793 CG LEU A 56 -6.663 -0.587 12.271 1.00 0.00 C ATOM 794 CD1 LEU A 56 -7.598 -1.233 13.281 1.00 0.00 C ATOM 795 CD2 LEU A 56 -6.379 -1.541 11.119 1.00 0.00 C ATOM 0 H LEU A 56 -6.017 2.847 12.647 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.634 1.007 10.369 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.647 1.284 12.597 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.108 0.481 11.110 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.721 -0.361 12.771 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.158 -2.163 13.641 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.752 -0.555 14.120 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.556 -1.445 12.806 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.956 -2.467 11.509 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.307 -1.760 10.591 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.670 -1.080 10.431 1.00 0.00 H new ATOM 807 N PHE A 57 -6.789 2.441 8.733 1.00 0.00 N ATOM 808 CA PHE A 57 -7.474 3.245 7.728 1.00 0.00 C ATOM 809 C PHE A 57 -8.321 2.366 6.813 1.00 0.00 C ATOM 810 O PHE A 57 -8.041 1.184 6.612 1.00 0.00 O ATOM 811 CB PHE A 57 -6.460 4.037 6.899 1.00 0.00 C ATOM 812 CG PHE A 57 -5.425 3.174 6.236 1.00 0.00 C ATOM 813 CD1 PHE A 57 -4.388 2.624 6.972 1.00 0.00 C ATOM 814 CD2 PHE A 57 -5.488 2.913 4.877 1.00 0.00 C ATOM 815 CE1 PHE A 57 -3.433 1.830 6.364 1.00 0.00 C ATOM 816 CE2 PHE A 57 -4.537 2.120 4.263 1.00 0.00 C ATOM 817 CZ PHE A 57 -3.509 1.577 5.009 1.00 0.00 C ATOM 0 H PHE A 57 -6.067 1.825 8.359 1.00 0.00 H new ATOM 0 HA PHE A 57 -8.134 3.942 8.245 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -6.991 4.605 6.135 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -5.960 4.760 7.544 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -4.325 2.818 8.033 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -6.290 3.335 4.290 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.629 1.408 6.948 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -4.597 1.925 3.202 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.765 0.955 4.533 1.00 0.00 H new ATOM 827 N PRO A 58 -9.383 2.956 6.244 1.00 0.00 N ATOM 828 CA PRO A 58 -10.294 2.245 5.341 1.00 0.00 C ATOM 829 C PRO A 58 -9.640 1.911 4.004 1.00 0.00 C ATOM 830 O PRO A 58 -8.852 2.694 3.475 1.00 0.00 O ATOM 831 CB PRO A 58 -11.442 3.238 5.142 1.00 0.00 C ATOM 832 CG PRO A 58 -10.834 4.575 5.391 1.00 0.00 C ATOM 833 CD PRO A 58 -9.778 4.361 6.439 1.00 0.00 C ATOM 0 HA PRO A 58 -10.609 1.285 5.751 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -11.853 3.171 4.135 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -12.261 3.040 5.834 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -10.400 4.983 4.478 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -11.585 5.287 5.733 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -8.935 5.038 6.304 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -10.167 4.533 7.442 1.00 0.00 H new ATOM 841 N ALA A 59 -9.974 0.744 3.463 1.00 0.00 N ATOM 842 CA ALA A 59 -9.421 0.308 2.187 1.00 0.00 C ATOM 843 C ALA A 59 -10.304 0.753 1.025 1.00 0.00 C ATOM 844 O ALA A 59 -10.266 0.166 -0.056 1.00 0.00 O ATOM 845 CB ALA A 59 -9.251 -1.204 2.174 1.00 0.00 C ATOM 0 H ALA A 59 -10.625 0.084 3.889 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.443 0.774 2.065 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -8.837 -1.515 1.215 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -8.574 -1.501 2.975 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -10.220 -1.680 2.323 1.00 0.00 H new ATOM 851 N ASP A 60 -11.098 1.792 1.257 1.00 0.00 N ATOM 852 CA ASP A 60 -11.991 2.316 0.229 1.00 0.00 C ATOM 853 C ASP A 60 -11.574 3.722 -0.188 1.00 0.00 C ATOM 854 O ASP A 60 -12.224 4.351 -1.024 1.00 0.00 O ATOM 855 CB ASP A 60 -13.435 2.327 0.736 1.00 0.00 C ATOM 856 CG ASP A 60 -14.445 2.324 -0.395 1.00 0.00 C ATOM 857 OD1 ASP A 60 -14.124 2.855 -1.478 1.00 0.00 O ATOM 858 OD2 ASP A 60 -15.556 1.790 -0.196 1.00 0.00 O ATOM 0 H ASP A 60 -11.142 2.288 2.147 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.925 1.664 -0.642 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -13.601 1.456 1.370 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.592 3.209 1.358 1.00 0.00 H new ATOM 863 N ILE A 61 -10.487 4.210 0.400 1.00 0.00 N ATOM 864 CA ILE A 61 -9.984 5.542 0.089 1.00 0.00 C ATOM 865 C ILE A 61 -8.503 5.500 -0.270 1.00 0.00 C ATOM 866 O ILE A 61 -7.850 6.538 -0.382 1.00 0.00 O ATOM 867 CB ILE A 61 -10.187 6.511 1.270 1.00 0.00 C ATOM 868 CG1 ILE A 61 -9.167 6.224 2.374 1.00 0.00 C ATOM 869 CG2 ILE A 61 -11.605 6.399 1.809 1.00 0.00 C ATOM 870 CD1 ILE A 61 -9.270 7.169 3.551 1.00 0.00 C ATOM 0 H ILE A 61 -9.938 3.703 1.094 1.00 0.00 H new ATOM 0 HA ILE A 61 -10.553 5.902 -0.768 1.00 0.00 H new ATOM 0 HB ILE A 61 -10.034 7.530 0.916 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -9.303 5.201 2.726 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.163 6.286 1.955 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -11.733 7.089 2.643 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -12.315 6.647 1.020 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -11.785 5.380 2.151 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.518 6.907 4.295 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -9.105 8.192 3.212 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -10.262 7.090 3.995 1.00 0.00 H new ATOM 882 N VAL A 62 -7.977 4.293 -0.451 1.00 0.00 N ATOM 883 CA VAL A 62 -6.573 4.114 -0.801 1.00 0.00 C ATOM 884 C VAL A 62 -6.419 3.185 -2.000 1.00 0.00 C ATOM 885 O VAL A 62 -7.194 2.244 -2.171 1.00 0.00 O ATOM 886 CB VAL A 62 -5.768 3.546 0.382 1.00 0.00 C ATOM 887 CG1 VAL A 62 -5.811 4.500 1.565 1.00 0.00 C ATOM 888 CG2 VAL A 62 -6.294 2.173 0.774 1.00 0.00 C ATOM 0 H VAL A 62 -8.503 3.424 -0.361 1.00 0.00 H new ATOM 0 HA VAL A 62 -6.183 5.099 -1.057 1.00 0.00 H new ATOM 0 HB VAL A 62 -4.729 3.437 0.072 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.236 4.081 2.391 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.383 5.459 1.275 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.845 4.644 1.879 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.713 1.787 1.612 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -7.341 2.254 1.065 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -6.205 1.494 -0.074 1.00 0.00 H new ATOM 898 N GLN A 63 -5.414 3.456 -2.827 1.00 0.00 N ATOM 899 CA GLN A 63 -5.159 2.643 -4.010 1.00 0.00 C ATOM 900 C GLN A 63 -3.729 2.114 -4.009 1.00 0.00 C ATOM 901 O GLN A 63 -2.811 2.735 -3.471 1.00 0.00 O ATOM 902 CB GLN A 63 -5.413 3.459 -5.279 1.00 0.00 C ATOM 903 CG GLN A 63 -4.299 4.443 -5.602 1.00 0.00 C ATOM 904 CD GLN A 63 -4.427 5.031 -6.994 1.00 0.00 C ATOM 905 OE1 GLN A 63 -5.134 4.492 -7.846 1.00 0.00 O ATOM 906 NE2 GLN A 63 -3.741 6.143 -7.232 1.00 0.00 N ATOM 0 H GLN A 63 -4.764 4.232 -2.700 1.00 0.00 H new ATOM 0 HA GLN A 63 -5.841 1.793 -3.990 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.540 2.777 -6.120 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -6.349 4.006 -5.168 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.307 5.249 -4.869 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.337 3.939 -5.511 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -3.167 6.556 -6.496 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -3.788 6.584 -8.150 1.00 0.00 H new ATOM 915 N PRO A 64 -3.532 0.939 -4.625 1.00 0.00 N ATOM 916 CA PRO A 64 -2.215 0.300 -4.708 1.00 0.00 C ATOM 917 C PRO A 64 -1.263 1.054 -5.630 1.00 0.00 C ATOM 918 O PRO A 64 -1.682 1.635 -6.631 1.00 0.00 O ATOM 919 CB PRO A 64 -2.528 -1.085 -5.280 1.00 0.00 C ATOM 920 CG PRO A 64 -3.801 -0.905 -6.033 1.00 0.00 C ATOM 921 CD PRO A 64 -4.579 0.143 -5.287 1.00 0.00 C ATOM 0 HA PRO A 64 -1.713 0.273 -3.741 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -1.728 -1.434 -5.933 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -2.638 -1.825 -4.487 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -3.607 -0.591 -7.058 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.358 -1.840 -6.087 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -5.181 0.752 -5.961 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -5.262 -0.303 -4.564 1.00 0.00 H new ATOM 929 N ALA A 65 0.021 1.039 -5.287 1.00 0.00 N ATOM 930 CA ALA A 65 1.033 1.720 -6.085 1.00 0.00 C ATOM 931 C ALA A 65 2.365 0.980 -6.029 1.00 0.00 C ATOM 932 O ALA A 65 2.713 0.384 -5.010 1.00 0.00 O ATOM 933 CB ALA A 65 1.204 3.155 -5.609 1.00 0.00 C ATOM 0 H ALA A 65 0.385 0.563 -4.462 1.00 0.00 H new ATOM 0 HA ALA A 65 0.696 1.731 -7.122 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.963 3.651 -6.214 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.257 3.686 -5.707 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.515 3.157 -4.564 1.00 0.00 H new ATOM 939 N ALA A 66 3.107 1.021 -7.132 1.00 0.00 N ATOM 940 CA ALA A 66 4.401 0.356 -7.207 1.00 0.00 C ATOM 941 C ALA A 66 5.266 0.699 -6.000 1.00 0.00 C ATOM 942 O ALA A 66 5.092 1.746 -5.377 1.00 0.00 O ATOM 943 CB ALA A 66 5.115 0.735 -8.496 1.00 0.00 C ATOM 0 H ALA A 66 2.833 1.508 -7.985 1.00 0.00 H new ATOM 0 HA ALA A 66 4.229 -0.720 -7.203 1.00 0.00 H new ATOM 0 HB1 ALA A 66 6.081 0.231 -8.539 1.00 0.00 H new ATOM 0 HB2 ALA A 66 4.509 0.432 -9.350 1.00 0.00 H new ATOM 0 HB3 ALA A 66 5.267 1.814 -8.524 1.00 0.00 H new ATOM 949 N ALA A 67 6.199 -0.190 -5.674 1.00 0.00 N ATOM 950 CA ALA A 67 7.092 0.020 -4.541 1.00 0.00 C ATOM 951 C ALA A 67 8.279 0.895 -4.933 1.00 0.00 C ATOM 952 O ALA A 67 8.793 0.822 -6.049 1.00 0.00 O ATOM 953 CB ALA A 67 7.576 -1.315 -3.996 1.00 0.00 C ATOM 0 H ALA A 67 6.356 -1.062 -6.179 1.00 0.00 H new ATOM 0 HA ALA A 67 6.534 0.538 -3.761 1.00 0.00 H new ATOM 0 HB1 ALA A 67 8.242 -1.143 -3.150 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.721 -1.906 -3.670 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.113 -1.854 -4.777 1.00 0.00 H new