USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 592 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 28 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 29 SER OG : rot 180:sc=-0.00635 USER MOD Set 2.1: A 17 HIS :FLIP no HD1:sc= -0.0408 F(o=-1.5,f=-0.54) USER MOD Set 2.2: A 81 GLN : amide:sc= -0.502 K(o=-0.54,f=-1.5) USER MOD Single : A 15 SER OG : rot 137:sc= 0.888 USER MOD Single : A 16 ASN : amide:sc= -5.52! C(o=-5.5!,f=-18!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl -115:sc= -6.05! (180deg=-9.76!) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0387 USER MOD Single : A 45 THR OG1 : rot 180:sc=-0.00208 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.01 USER MOD Single : A 66 GLN : amide:sc= -0.121 K(o=-0.12,f=-1.9!) USER MOD Single : A 67 THR OG1 : rot -2:sc= 0.883 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 72 THR OG1 : rot 97:sc= 0.827 USER MOD Single : A 73 HIS :FLIP no HD1:sc= -0.57 F(o=-1.6,f=-0.57) USER MOD Single : A 75 MET CE :methyl -113:sc= -1.45 (180deg=-2.83) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 10.770 8.953 2.405 1.00 0.00 N ATOM 81 CA ALA A 9 9.538 8.256 2.055 1.00 0.00 C ATOM 82 C ALA A 9 9.569 7.781 0.607 1.00 0.00 C ATOM 83 O ALA A 9 9.963 8.525 -0.292 1.00 0.00 O ATOM 84 CB ALA A 9 8.336 9.157 2.293 1.00 0.00 C ATOM 0 HA ALA A 9 9.451 7.378 2.695 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.423 8.624 2.027 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.297 9.442 3.344 1.00 0.00 H new ATOM 0 HB3 ALA A 9 8.425 10.052 1.678 1.00 0.00 H new ATOM 90 N ARG A 10 9.150 6.539 0.387 1.00 0.00 N ATOM 91 CA ARG A 10 9.132 5.964 -0.953 1.00 0.00 C ATOM 92 C ARG A 10 7.718 5.971 -1.527 1.00 0.00 C ATOM 93 O ARG A 10 6.732 5.775 -0.816 1.00 0.00 O ATOM 94 CB ARG A 10 9.678 4.535 -0.927 1.00 0.00 C ATOM 95 CG ARG A 10 11.183 4.461 -0.730 1.00 0.00 C ATOM 96 CD ARG A 10 11.703 3.050 -0.947 1.00 0.00 C ATOM 97 NE ARG A 10 13.161 3.012 -1.032 1.00 0.00 N ATOM 98 CZ ARG A 10 13.962 3.110 0.025 1.00 0.00 C ATOM 99 NH1 ARG A 10 13.448 3.252 1.238 1.00 0.00 N ATOM 100 NH2 ARG A 10 15.279 3.067 -0.133 1.00 0.00 N ATOM 0 H ARG A 10 8.818 5.911 1.120 1.00 0.00 H new ATOM 0 HA ARG A 10 9.769 6.575 -1.592 1.00 0.00 H new ATOM 0 HB2 ARG A 10 9.188 3.982 -0.126 1.00 0.00 H new ATOM 0 HB3 ARG A 10 9.418 4.039 -1.862 1.00 0.00 H new ATOM 0 HG2 ARG A 10 11.676 5.142 -1.423 1.00 0.00 H new ATOM 0 HG3 ARG A 10 11.436 4.793 0.277 1.00 0.00 H new ATOM 0 HD2 ARG A 10 11.371 2.411 -0.129 1.00 0.00 H new ATOM 0 HD3 ARG A 10 11.276 2.643 -1.863 1.00 0.00 H new ATOM 0 HE ARG A 10 13.588 2.904 -1.952 1.00 0.00 H new ATOM 0 HH11 ARG A 10 12.436 3.286 1.362 1.00 0.00 H new ATOM 0 HH12 ARG A 10 14.064 3.327 2.047 1.00 0.00 H new ATOM 0 HH21 ARG A 10 15.677 2.959 -1.066 1.00 0.00 H new ATOM 0 HH22 ARG A 10 15.893 3.142 0.678 1.00 0.00 H new ATOM 114 N PRO A 11 7.615 6.201 -2.844 1.00 0.00 N ATOM 115 CA PRO A 11 6.327 6.238 -3.544 1.00 0.00 C ATOM 116 C PRO A 11 5.677 4.861 -3.634 1.00 0.00 C ATOM 117 O PRO A 11 6.364 3.843 -3.705 1.00 0.00 O ATOM 118 CB PRO A 11 6.695 6.747 -4.939 1.00 0.00 C ATOM 119 CG PRO A 11 8.123 6.362 -5.119 1.00 0.00 C ATOM 120 CD PRO A 11 8.749 6.442 -3.754 1.00 0.00 C ATOM 0 HA PRO A 11 5.600 6.863 -3.026 1.00 0.00 H new ATOM 0 HB2 PRO A 11 6.064 6.295 -5.704 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.564 7.826 -5.014 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.207 5.355 -5.528 1.00 0.00 H new ATOM 0 HG3 PRO A 11 8.623 7.033 -5.818 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.532 5.695 -3.627 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.206 7.416 -3.578 1.00 0.00 H new ATOM 128 N PHE A 12 4.348 4.838 -3.630 1.00 0.00 N ATOM 129 CA PHE A 12 3.605 3.586 -3.711 1.00 0.00 C ATOM 130 C PHE A 12 2.231 3.808 -4.337 1.00 0.00 C ATOM 131 O PHE A 12 1.604 4.848 -4.130 1.00 0.00 O ATOM 132 CB PHE A 12 3.450 2.970 -2.320 1.00 0.00 C ATOM 133 CG PHE A 12 4.760 2.688 -1.640 1.00 0.00 C ATOM 134 CD1 PHE A 12 5.653 1.775 -2.177 1.00 0.00 C ATOM 135 CD2 PHE A 12 5.097 3.336 -0.463 1.00 0.00 C ATOM 136 CE1 PHE A 12 6.858 1.514 -1.554 1.00 0.00 C ATOM 137 CE2 PHE A 12 6.302 3.080 0.164 1.00 0.00 C ATOM 138 CZ PHE A 12 7.184 2.167 -0.381 1.00 0.00 C ATOM 0 H PHE A 12 3.764 5.672 -3.572 1.00 0.00 H new ATOM 0 HA PHE A 12 4.167 2.900 -4.345 1.00 0.00 H new ATOM 0 HB2 PHE A 12 2.864 3.644 -1.696 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.886 2.041 -2.403 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.404 1.261 -3.094 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.411 4.049 -0.030 1.00 0.00 H new ATOM 0 HE1 PHE A 12 7.545 0.800 -1.984 1.00 0.00 H new ATOM 0 HE2 PHE A 12 6.554 3.594 1.080 1.00 0.00 H new ATOM 0 HZ PHE A 12 8.125 1.964 0.108 1.00 0.00 H new ATOM 148 N ARG A 13 1.770 2.826 -5.104 1.00 0.00 N ATOM 149 CA ARG A 13 0.472 2.914 -5.762 1.00 0.00 C ATOM 150 C ARG A 13 -0.583 2.130 -4.988 1.00 0.00 C ATOM 151 O ARG A 13 -0.303 1.062 -4.442 1.00 0.00 O ATOM 152 CB ARG A 13 0.566 2.388 -7.195 1.00 0.00 C ATOM 153 CG ARG A 13 0.968 3.447 -8.208 1.00 0.00 C ATOM 154 CD ARG A 13 2.478 3.516 -8.372 1.00 0.00 C ATOM 155 NE ARG A 13 2.889 4.660 -9.183 1.00 0.00 N ATOM 156 CZ ARG A 13 2.801 5.920 -8.773 1.00 0.00 C ATOM 157 NH1 ARG A 13 2.322 6.197 -7.568 1.00 0.00 N ATOM 158 NH2 ARG A 13 3.195 6.907 -9.567 1.00 0.00 N ATOM 0 H ARG A 13 2.276 1.959 -5.285 1.00 0.00 H new ATOM 0 HA ARG A 13 0.175 3.962 -5.787 1.00 0.00 H new ATOM 0 HB2 ARG A 13 1.290 1.574 -7.227 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.398 1.969 -7.483 1.00 0.00 H new ATOM 0 HG2 ARG A 13 0.506 3.226 -9.170 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.591 4.419 -7.889 1.00 0.00 H new ATOM 0 HD2 ARG A 13 2.947 3.581 -7.390 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.835 2.596 -8.835 1.00 0.00 H new ATOM 0 HE ARG A 13 3.264 4.481 -10.115 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.020 5.441 -6.953 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.256 7.166 -7.256 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.566 6.699 -10.494 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.127 7.874 -9.251 1.00 0.00 H new ATOM 172 N VAL A 14 -1.799 2.666 -4.946 1.00 0.00 N ATOM 173 CA VAL A 14 -2.897 2.017 -4.240 1.00 0.00 C ATOM 174 C VAL A 14 -4.117 1.865 -5.141 1.00 0.00 C ATOM 175 O VAL A 14 -4.372 2.706 -6.003 1.00 0.00 O ATOM 176 CB VAL A 14 -3.299 2.806 -2.980 1.00 0.00 C ATOM 177 CG1 VAL A 14 -4.253 1.990 -2.120 1.00 0.00 C ATOM 178 CG2 VAL A 14 -2.064 3.208 -2.186 1.00 0.00 C ATOM 0 H VAL A 14 -2.048 3.548 -5.393 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.542 1.030 -3.944 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.815 3.714 -3.291 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.526 2.564 -1.234 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -5.151 1.758 -2.693 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.767 1.063 -1.816 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.367 3.765 -1.299 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.518 2.314 -1.884 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.421 3.834 -2.805 1.00 0.00 H new ATOM 188 N SER A 15 -4.867 0.788 -4.936 1.00 0.00 N ATOM 189 CA SER A 15 -6.059 0.523 -5.734 1.00 0.00 C ATOM 190 C SER A 15 -7.163 -0.087 -4.875 1.00 0.00 C ATOM 191 O SER A 15 -6.898 -0.895 -3.986 1.00 0.00 O ATOM 192 CB SER A 15 -5.725 -0.415 -6.895 1.00 0.00 C ATOM 193 OG SER A 15 -5.145 0.296 -7.975 1.00 0.00 O ATOM 0 H SER A 15 -4.671 0.084 -4.224 1.00 0.00 H new ATOM 0 HA SER A 15 -6.415 1.472 -6.135 1.00 0.00 H new ATOM 0 HB2 SER A 15 -5.038 -1.189 -6.555 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.631 -0.919 -7.232 1.00 0.00 H new ATOM 0 HG SER A 15 -4.387 -0.212 -8.332 1.00 0.00 H new ATOM 199 N ASN A 16 -8.402 0.308 -5.147 1.00 0.00 N ATOM 200 CA ASN A 16 -9.548 -0.197 -4.400 1.00 0.00 C ATOM 201 C ASN A 16 -9.779 -1.677 -4.694 1.00 0.00 C ATOM 202 O ASN A 16 -9.076 -2.276 -5.510 1.00 0.00 O ATOM 203 CB ASN A 16 -10.804 0.605 -4.744 1.00 0.00 C ATOM 204 CG ASN A 16 -11.260 0.378 -6.173 1.00 0.00 C ATOM 205 OD1 ASN A 16 -10.933 -0.637 -6.788 1.00 0.00 O ATOM 206 ND2 ASN A 16 -12.021 1.327 -6.708 1.00 0.00 N ATOM 0 H ASN A 16 -8.638 0.977 -5.880 1.00 0.00 H new ATOM 0 HA ASN A 16 -9.335 -0.084 -3.337 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -11.607 0.329 -4.061 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -10.607 1.666 -4.592 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -12.359 1.230 -7.666 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -12.267 2.152 -6.161 1.00 0.00 H new ATOM 213 N HIS A 17 -10.769 -2.260 -4.026 1.00 0.00 N ATOM 214 CA HIS A 17 -11.094 -3.669 -4.216 1.00 0.00 C ATOM 215 C HIS A 17 -11.430 -3.956 -5.677 1.00 0.00 C ATOM 216 O HIS A 17 -11.058 -4.998 -6.216 1.00 0.00 O ATOM 217 CB HIS A 17 -12.269 -4.069 -3.324 1.00 0.00 C ATOM 218 CG HIS A 17 -13.495 -3.235 -3.537 1.00 0.00 C ATOM 219 ND1 HIS A 17 -13.806 -1.989 -3.105 1.00 0.00 N flip ATOM 220 CD2 HIS A 17 -14.579 -3.665 -4.273 1.00 0.00 C flip ATOM 221 CE1 HIS A 17 -15.058 -1.694 -3.584 1.00 0.00 C flip ATOM 222 NE2 HIS A 17 -15.503 -2.720 -4.285 1.00 0.00 N flip ATOM 0 H HIS A 17 -11.360 -1.779 -3.348 1.00 0.00 H new ATOM 0 HA HIS A 17 -10.220 -4.258 -3.938 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -12.515 -5.115 -3.508 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -11.964 -3.992 -2.280 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -14.660 -4.624 -4.763 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -15.593 -0.771 -3.415 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -16.406 -2.774 -4.756 1.00 0.00 H new ATOM 231 N ASP A 18 -12.135 -3.025 -6.311 1.00 0.00 N ATOM 232 CA ASP A 18 -12.520 -3.178 -7.709 1.00 0.00 C ATOM 233 C ASP A 18 -11.392 -2.737 -8.636 1.00 0.00 C ATOM 234 O ASP A 18 -11.603 -2.521 -9.829 1.00 0.00 O ATOM 235 CB ASP A 18 -13.785 -2.368 -8.003 1.00 0.00 C ATOM 236 CG ASP A 18 -14.304 -2.596 -9.409 1.00 0.00 C ATOM 237 OD1 ASP A 18 -14.803 -3.707 -9.685 1.00 0.00 O ATOM 238 OD2 ASP A 18 -14.212 -1.663 -10.234 1.00 0.00 O ATOM 0 H ASP A 18 -12.451 -2.157 -5.879 1.00 0.00 H new ATOM 0 HA ASP A 18 -12.723 -4.233 -7.891 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -14.560 -2.636 -7.285 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -13.575 -1.308 -7.864 1.00 0.00 H new ATOM 243 N ARG A 19 -10.194 -2.604 -8.077 1.00 0.00 N ATOM 244 CA ARG A 19 -9.031 -2.185 -8.853 1.00 0.00 C ATOM 245 C ARG A 19 -9.425 -1.156 -9.908 1.00 0.00 C ATOM 246 O ARG A 19 -9.039 -1.268 -11.072 1.00 0.00 O ATOM 247 CB ARG A 19 -8.377 -3.395 -9.522 1.00 0.00 C ATOM 248 CG ARG A 19 -7.870 -4.436 -8.538 1.00 0.00 C ATOM 249 CD ARG A 19 -7.244 -5.622 -9.255 1.00 0.00 C ATOM 250 NE ARG A 19 -8.174 -6.250 -10.189 1.00 0.00 N ATOM 251 CZ ARG A 19 -7.989 -7.459 -10.710 1.00 0.00 C ATOM 252 NH1 ARG A 19 -6.914 -8.165 -10.388 1.00 0.00 N ATOM 253 NH2 ARG A 19 -8.881 -7.963 -11.552 1.00 0.00 N ATOM 0 H ARG A 19 -10.002 -2.780 -7.091 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.315 -1.725 -8.172 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.098 -3.862 -10.193 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.545 -3.053 -10.137 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.135 -3.982 -7.873 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.695 -4.781 -7.914 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.356 -5.292 -9.794 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -6.916 -6.358 -8.521 1.00 0.00 H new ATOM 0 HE ARG A 19 -9.012 -5.733 -10.456 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.227 -7.781 -9.739 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.774 -9.092 -10.789 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.710 -7.423 -11.800 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.738 -8.891 -11.951 1.00 0.00 H new ATOM 267 N SER A 20 -10.195 -0.155 -9.495 1.00 0.00 N ATOM 268 CA SER A 20 -10.644 0.891 -10.406 1.00 0.00 C ATOM 269 C SER A 20 -9.995 2.228 -10.058 1.00 0.00 C ATOM 270 O SER A 20 -9.663 3.018 -10.943 1.00 0.00 O ATOM 271 CB SER A 20 -12.167 1.022 -10.355 1.00 0.00 C ATOM 272 OG SER A 20 -12.663 1.667 -11.514 1.00 0.00 O ATOM 0 H SER A 20 -10.521 -0.046 -8.535 1.00 0.00 H new ATOM 0 HA SER A 20 -10.345 0.613 -11.416 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.617 0.033 -10.265 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.457 1.587 -9.469 1.00 0.00 H new ATOM 0 HG SER A 20 -13.639 1.737 -11.457 1.00 0.00 H new ATOM 278 N SER A 21 -9.818 2.475 -8.764 1.00 0.00 N ATOM 279 CA SER A 21 -9.212 3.717 -8.298 1.00 0.00 C ATOM 280 C SER A 21 -7.691 3.606 -8.277 1.00 0.00 C ATOM 281 O SER A 21 -7.140 2.525 -8.067 1.00 0.00 O ATOM 282 CB SER A 21 -9.729 4.069 -6.903 1.00 0.00 C ATOM 283 OG SER A 21 -10.999 4.695 -6.970 1.00 0.00 O ATOM 0 H SER A 21 -10.086 1.831 -8.019 1.00 0.00 H new ATOM 0 HA SER A 21 -9.490 4.510 -8.992 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.798 3.164 -6.299 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.020 4.731 -6.406 1.00 0.00 H new ATOM 0 HG SER A 21 -11.307 4.908 -6.064 1.00 0.00 H new ATOM 289 N ARG A 22 -7.019 4.731 -8.498 1.00 0.00 N ATOM 290 CA ARG A 22 -5.562 4.761 -8.505 1.00 0.00 C ATOM 291 C ARG A 22 -5.038 5.943 -7.695 1.00 0.00 C ATOM 292 O ARG A 22 -5.236 7.100 -8.066 1.00 0.00 O ATOM 293 CB ARG A 22 -5.040 4.843 -9.942 1.00 0.00 C ATOM 294 CG ARG A 22 -5.419 3.644 -10.796 1.00 0.00 C ATOM 295 CD ARG A 22 -5.555 4.027 -12.261 1.00 0.00 C ATOM 296 NE ARG A 22 -6.735 4.852 -12.504 1.00 0.00 N ATOM 297 CZ ARG A 22 -6.911 5.577 -13.603 1.00 0.00 C ATOM 298 NH1 ARG A 22 -5.988 5.577 -14.556 1.00 0.00 N ATOM 299 NH2 ARG A 22 -8.012 6.303 -13.752 1.00 0.00 N ATOM 0 H ARG A 22 -7.460 5.633 -8.675 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.202 3.840 -8.046 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.427 5.748 -10.409 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.954 4.935 -9.921 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -4.662 2.866 -10.690 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.360 3.224 -10.439 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.663 4.567 -12.579 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.613 3.123 -12.868 1.00 0.00 H new ATOM 0 HE ARG A 22 -7.464 4.873 -11.791 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.141 5.019 -14.446 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.125 6.135 -15.399 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -8.724 6.305 -13.022 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -8.146 6.859 -14.596 1.00 0.00 H new ATOM 313 N ARG A 23 -4.369 5.644 -6.587 1.00 0.00 N ATOM 314 CA ARG A 23 -3.818 6.681 -5.723 1.00 0.00 C ATOM 315 C ARG A 23 -2.374 6.364 -5.344 1.00 0.00 C ATOM 316 O ARG A 23 -2.090 5.321 -4.756 1.00 0.00 O ATOM 317 CB ARG A 23 -4.667 6.825 -4.458 1.00 0.00 C ATOM 318 CG ARG A 23 -4.676 8.234 -3.887 1.00 0.00 C ATOM 319 CD ARG A 23 -3.326 8.600 -3.289 1.00 0.00 C ATOM 320 NE ARG A 23 -2.444 9.226 -4.271 1.00 0.00 N ATOM 321 CZ ARG A 23 -2.712 10.383 -4.868 1.00 0.00 C ATOM 322 NH1 ARG A 23 -3.832 11.035 -4.584 1.00 0.00 N ATOM 323 NH2 ARG A 23 -1.860 10.888 -5.751 1.00 0.00 N ATOM 0 H ARG A 23 -4.195 4.692 -6.266 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.833 7.622 -6.273 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.691 6.526 -4.682 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.293 6.137 -3.700 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.932 8.945 -4.673 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -5.448 8.313 -3.122 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.474 9.279 -2.449 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.849 7.703 -2.894 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.575 8.749 -4.512 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.489 10.649 -3.906 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.036 11.923 -5.043 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.999 10.388 -5.972 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -2.066 11.776 -6.209 1.00 0.00 H new ATOM 337 N GLY A 24 -1.465 7.271 -5.687 1.00 0.00 N ATOM 338 CA GLY A 24 -0.062 7.070 -5.377 1.00 0.00 C ATOM 339 C GLY A 24 0.347 7.740 -4.081 1.00 0.00 C ATOM 340 O GLY A 24 0.458 8.964 -4.014 1.00 0.00 O ATOM 0 H GLY A 24 -1.675 8.142 -6.174 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.143 6.001 -5.310 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.547 7.461 -6.192 1.00 0.00 H new ATOM 344 N VAL A 25 0.572 6.936 -3.046 1.00 0.00 N ATOM 345 CA VAL A 25 0.971 7.459 -1.745 1.00 0.00 C ATOM 346 C VAL A 25 2.435 7.149 -1.453 1.00 0.00 C ATOM 347 O VAL A 25 2.967 6.134 -1.902 1.00 0.00 O ATOM 348 CB VAL A 25 0.099 6.877 -0.615 1.00 0.00 C ATOM 349 CG1 VAL A 25 0.492 7.478 0.726 1.00 0.00 C ATOM 350 CG2 VAL A 25 -1.375 7.113 -0.904 1.00 0.00 C ATOM 0 H VAL A 25 0.485 5.920 -3.084 1.00 0.00 H new ATOM 0 HA VAL A 25 0.832 8.539 -1.782 1.00 0.00 H new ATOM 0 HB VAL A 25 0.268 5.801 -0.567 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.134 7.055 1.512 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.538 7.251 0.934 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.355 8.559 0.695 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.976 6.696 -0.096 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.564 8.184 -0.981 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.644 6.629 -1.843 1.00 0.00 H new ATOM 360 N MET A 26 3.082 8.031 -0.698 1.00 0.00 N ATOM 361 CA MET A 26 4.485 7.851 -0.345 1.00 0.00 C ATOM 362 C MET A 26 4.663 7.801 1.169 1.00 0.00 C ATOM 363 O MET A 26 4.073 8.597 1.900 1.00 0.00 O ATOM 364 CB MET A 26 5.329 8.984 -0.932 1.00 0.00 C ATOM 365 CG MET A 26 5.470 10.180 -0.005 1.00 0.00 C ATOM 366 SD MET A 26 6.576 11.443 -0.663 1.00 0.00 S ATOM 367 CE MET A 26 8.148 10.586 -0.592 1.00 0.00 C ATOM 0 H MET A 26 2.657 8.877 -0.319 1.00 0.00 H new ATOM 0 HA MET A 26 4.821 6.902 -0.764 1.00 0.00 H new ATOM 0 HB2 MET A 26 6.321 8.601 -1.171 1.00 0.00 H new ATOM 0 HB3 MET A 26 4.880 9.312 -1.869 1.00 0.00 H new ATOM 0 HG2 MET A 26 4.487 10.618 0.168 1.00 0.00 H new ATOM 0 HG3 MET A 26 5.844 9.843 0.962 1.00 0.00 H new ATOM 0 HE1 MET A 26 8.804 11.088 0.119 1.00 0.00 H new ATOM 0 HE2 MET A 26 7.987 9.556 -0.272 1.00 0.00 H new ATOM 0 HE3 MET A 26 8.610 10.591 -1.579 1.00 0.00 H new ATOM 377 N ALA A 27 5.478 6.859 1.634 1.00 0.00 N ATOM 378 CA ALA A 27 5.734 6.707 3.061 1.00 0.00 C ATOM 379 C ALA A 27 7.103 6.083 3.309 1.00 0.00 C ATOM 380 O ALA A 27 7.654 5.407 2.441 1.00 0.00 O ATOM 381 CB ALA A 27 4.642 5.864 3.706 1.00 0.00 C ATOM 0 H ALA A 27 5.972 6.190 1.043 1.00 0.00 H new ATOM 0 HA ALA A 27 5.728 7.698 3.514 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.846 5.758 4.772 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.677 6.351 3.567 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.621 4.878 3.241 1.00 0.00 H new ATOM 387 N SER A 28 7.646 6.316 4.499 1.00 0.00 N ATOM 388 CA SER A 28 8.954 5.779 4.861 1.00 0.00 C ATOM 389 C SER A 28 8.839 4.327 5.315 1.00 0.00 C ATOM 390 O SER A 28 9.805 3.568 5.252 1.00 0.00 O ATOM 391 CB SER A 28 9.586 6.624 5.968 1.00 0.00 C ATOM 392 OG SER A 28 8.936 6.406 7.209 1.00 0.00 O ATOM 0 H SER A 28 7.202 6.873 5.229 1.00 0.00 H new ATOM 0 HA SER A 28 9.592 5.815 3.978 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.644 6.377 6.059 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.527 7.680 5.703 1.00 0.00 H new ATOM 0 HG SER A 28 9.359 6.956 7.901 1.00 0.00 H new ATOM 398 N SER A 29 7.649 3.950 5.773 1.00 0.00 N ATOM 399 CA SER A 29 7.408 2.590 6.242 1.00 0.00 C ATOM 400 C SER A 29 6.015 2.117 5.840 1.00 0.00 C ATOM 401 O SER A 29 5.276 2.829 5.158 1.00 0.00 O ATOM 402 CB SER A 29 7.567 2.516 7.762 1.00 0.00 C ATOM 403 OG SER A 29 8.667 3.295 8.198 1.00 0.00 O ATOM 0 H SER A 29 6.838 4.566 5.829 1.00 0.00 H new ATOM 0 HA SER A 29 8.144 1.935 5.776 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.655 2.868 8.244 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.709 1.479 8.066 1.00 0.00 H new ATOM 0 HG SER A 29 8.746 3.232 9.173 1.00 0.00 H new ATOM 409 N LEU A 30 5.660 0.909 6.268 1.00 0.00 N ATOM 410 CA LEU A 30 4.355 0.339 5.954 1.00 0.00 C ATOM 411 C LEU A 30 3.259 0.995 6.789 1.00 0.00 C ATOM 412 O LEU A 30 2.244 1.441 6.256 1.00 0.00 O ATOM 413 CB LEU A 30 4.364 -1.171 6.200 1.00 0.00 C ATOM 414 CG LEU A 30 3.006 -1.811 6.494 1.00 0.00 C ATOM 415 CD1 LEU A 30 2.189 -1.938 5.218 1.00 0.00 C ATOM 416 CD2 LEU A 30 3.190 -3.172 7.150 1.00 0.00 C ATOM 0 H LEU A 30 6.258 0.306 6.833 1.00 0.00 H new ATOM 0 HA LEU A 30 4.147 0.529 4.901 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.791 -1.659 5.324 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.030 -1.379 7.037 1.00 0.00 H new ATOM 0 HG LEU A 30 2.463 -1.167 7.186 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.226 -2.395 5.446 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.028 -0.949 4.789 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.726 -2.561 4.503 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.214 -3.613 7.352 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.752 -3.825 6.482 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.736 -3.054 8.086 1.00 0.00 H new ATOM 428 N GLN A 31 3.475 1.052 8.099 1.00 0.00 N ATOM 429 CA GLN A 31 2.505 1.655 9.006 1.00 0.00 C ATOM 430 C GLN A 31 2.082 3.034 8.512 1.00 0.00 C ATOM 431 O GLN A 31 0.892 3.311 8.363 1.00 0.00 O ATOM 432 CB GLN A 31 3.093 1.763 10.415 1.00 0.00 C ATOM 433 CG GLN A 31 2.195 2.503 11.393 1.00 0.00 C ATOM 434 CD GLN A 31 1.153 1.602 12.025 1.00 0.00 C ATOM 435 OE1 GLN A 31 1.372 1.035 13.096 1.00 0.00 O ATOM 436 NE2 GLN A 31 0.009 1.466 11.364 1.00 0.00 N ATOM 0 H GLN A 31 4.312 0.689 8.556 1.00 0.00 H new ATOM 0 HA GLN A 31 1.624 1.014 9.035 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.285 0.761 10.798 1.00 0.00 H new ATOM 0 HB3 GLN A 31 4.055 2.273 10.360 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.807 2.949 12.177 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.696 3.321 10.874 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.130 1.954 10.479 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.730 0.873 11.741 1.00 0.00 H new ATOM 445 N GLU A 32 3.063 3.895 8.261 1.00 0.00 N ATOM 446 CA GLU A 32 2.791 5.245 7.784 1.00 0.00 C ATOM 447 C GLU A 32 1.892 5.217 6.551 1.00 0.00 C ATOM 448 O GLU A 32 0.929 5.978 6.453 1.00 0.00 O ATOM 449 CB GLU A 32 4.099 5.969 7.458 1.00 0.00 C ATOM 450 CG GLU A 32 3.900 7.385 6.943 1.00 0.00 C ATOM 451 CD GLU A 32 5.076 8.290 7.255 1.00 0.00 C ATOM 452 OE1 GLU A 32 5.227 8.685 8.430 1.00 0.00 O ATOM 453 OE2 GLU A 32 5.846 8.602 6.323 1.00 0.00 O ATOM 0 H GLU A 32 4.053 3.681 8.380 1.00 0.00 H new ATOM 0 HA GLU A 32 2.274 5.784 8.577 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.719 6.001 8.354 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.646 5.394 6.711 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.744 7.357 5.865 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.996 7.805 7.385 1.00 0.00 H new ATOM 460 N LEU A 33 2.214 4.334 5.613 1.00 0.00 N ATOM 461 CA LEU A 33 1.438 4.205 4.384 1.00 0.00 C ATOM 462 C LEU A 33 -0.019 3.875 4.693 1.00 0.00 C ATOM 463 O LEU A 33 -0.919 4.665 4.405 1.00 0.00 O ATOM 464 CB LEU A 33 2.039 3.120 3.489 1.00 0.00 C ATOM 465 CG LEU A 33 1.278 2.818 2.198 1.00 0.00 C ATOM 466 CD1 LEU A 33 0.247 1.725 2.429 1.00 0.00 C ATOM 467 CD2 LEU A 33 0.613 4.078 1.663 1.00 0.00 C ATOM 0 H LEU A 33 3.007 3.696 5.679 1.00 0.00 H new ATOM 0 HA LEU A 33 1.473 5.160 3.860 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.055 3.414 3.228 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.113 2.199 4.068 1.00 0.00 H new ATOM 0 HG LEU A 33 1.991 2.464 1.453 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.285 1.524 1.499 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.748 0.817 2.764 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.463 2.049 3.190 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.076 3.844 0.744 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.087 4.463 2.404 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.373 4.831 1.457 1.00 0.00 H new ATOM 479 N ILE A 34 -0.243 2.706 5.285 1.00 0.00 N ATOM 480 CA ILE A 34 -1.590 2.275 5.636 1.00 0.00 C ATOM 481 C ILE A 34 -2.425 3.442 6.149 1.00 0.00 C ATOM 482 O ILE A 34 -3.510 3.716 5.637 1.00 0.00 O ATOM 483 CB ILE A 34 -1.565 1.167 6.706 1.00 0.00 C ATOM 484 CG1 ILE A 34 -0.937 -0.108 6.137 1.00 0.00 C ATOM 485 CG2 ILE A 34 -2.972 0.889 7.213 1.00 0.00 C ATOM 486 CD1 ILE A 34 -0.527 -1.104 7.198 1.00 0.00 C ATOM 0 H ILE A 34 0.491 2.041 5.531 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.042 1.881 4.726 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.957 1.506 7.545 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.647 -0.582 5.460 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.062 0.160 5.545 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.938 0.104 7.968 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.387 1.797 7.651 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.601 0.567 6.383 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.090 -1.982 6.723 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.207 -0.647 7.862 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.402 -1.402 7.775 1.00 0.00 H new ATOM 498 N SER A 35 -1.911 4.130 7.164 1.00 0.00 N ATOM 499 CA SER A 35 -2.610 5.268 7.749 1.00 0.00 C ATOM 500 C SER A 35 -2.914 6.322 6.688 1.00 0.00 C ATOM 501 O SER A 35 -3.978 6.942 6.699 1.00 0.00 O ATOM 502 CB SER A 35 -1.774 5.885 8.872 1.00 0.00 C ATOM 503 OG SER A 35 -2.431 7.004 9.441 1.00 0.00 O ATOM 0 H SER A 35 -1.013 3.919 7.598 1.00 0.00 H new ATOM 0 HA SER A 35 -3.553 4.910 8.162 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.588 5.138 9.643 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.803 6.189 8.482 1.00 0.00 H new ATOM 0 HG SER A 35 -1.877 7.379 10.157 1.00 0.00 H new ATOM 509 N LYS A 36 -1.971 6.520 5.773 1.00 0.00 N ATOM 510 CA LYS A 36 -2.136 7.498 4.703 1.00 0.00 C ATOM 511 C LYS A 36 -3.243 7.071 3.743 1.00 0.00 C ATOM 512 O LYS A 36 -4.213 7.802 3.533 1.00 0.00 O ATOM 513 CB LYS A 36 -0.823 7.674 3.939 1.00 0.00 C ATOM 514 CG LYS A 36 0.145 8.635 4.607 1.00 0.00 C ATOM 515 CD LYS A 36 1.357 8.904 3.731 1.00 0.00 C ATOM 516 CE LYS A 36 1.925 10.293 3.977 1.00 0.00 C ATOM 517 NZ LYS A 36 1.164 11.343 3.245 1.00 0.00 N ATOM 0 H LYS A 36 -1.084 6.016 5.751 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.417 8.450 5.154 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.341 6.702 3.832 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.043 8.033 2.934 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.364 9.574 4.823 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.470 8.221 5.562 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.124 8.156 3.930 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.078 8.804 2.682 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.905 10.509 5.045 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.969 10.318 3.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.583 12.275 3.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.204 11.152 2.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.173 11.337 3.560 1.00 0.00 H new ATOM 531 N THR A 37 -3.093 5.884 3.163 1.00 0.00 N ATOM 532 CA THR A 37 -4.079 5.361 2.227 1.00 0.00 C ATOM 533 C THR A 37 -5.497 5.685 2.682 1.00 0.00 C ATOM 534 O THR A 37 -6.364 6.004 1.867 1.00 0.00 O ATOM 535 CB THR A 37 -3.942 3.837 2.060 1.00 0.00 C ATOM 536 OG1 THR A 37 -2.558 3.474 1.986 1.00 0.00 O ATOM 537 CG2 THR A 37 -4.662 3.363 0.807 1.00 0.00 C ATOM 0 H THR A 37 -2.297 5.267 3.326 1.00 0.00 H new ATOM 0 HA THR A 37 -3.889 5.843 1.268 1.00 0.00 H new ATOM 0 HB THR A 37 -4.398 3.357 2.926 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.480 2.503 1.882 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.551 2.283 0.710 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.720 3.614 0.878 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.231 3.852 -0.067 1.00 0.00 H new ATOM 545 N LEU A 38 -5.727 5.604 3.988 1.00 0.00 N ATOM 546 CA LEU A 38 -7.041 5.890 4.552 1.00 0.00 C ATOM 547 C LEU A 38 -7.424 7.350 4.329 1.00 0.00 C ATOM 548 O LEU A 38 -8.548 7.653 3.931 1.00 0.00 O ATOM 549 CB LEU A 38 -7.056 5.570 6.048 1.00 0.00 C ATOM 550 CG LEU A 38 -7.337 4.114 6.420 1.00 0.00 C ATOM 551 CD1 LEU A 38 -6.694 3.771 7.755 1.00 0.00 C ATOM 552 CD2 LEU A 38 -8.837 3.856 6.465 1.00 0.00 C ATOM 0 H LEU A 38 -5.021 5.343 4.676 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.772 5.260 4.044 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.091 5.852 6.469 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.808 6.198 6.526 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.901 3.472 5.655 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.904 2.731 8.004 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.616 3.917 7.688 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.100 4.419 8.532 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.019 2.815 6.731 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -9.296 4.507 7.209 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.271 4.062 5.487 1.00 0.00 H new ATOM 564 N ASP A 39 -6.480 8.249 4.587 1.00 0.00 N ATOM 565 CA ASP A 39 -6.717 9.678 4.411 1.00 0.00 C ATOM 566 C ASP A 39 -6.811 10.035 2.931 1.00 0.00 C ATOM 567 O ASP A 39 -7.700 10.776 2.516 1.00 0.00 O ATOM 568 CB ASP A 39 -5.602 10.486 5.074 1.00 0.00 C ATOM 569 CG ASP A 39 -5.935 11.963 5.170 1.00 0.00 C ATOM 570 OD1 ASP A 39 -7.038 12.292 5.655 1.00 0.00 O ATOM 571 OD2 ASP A 39 -5.093 12.788 4.761 1.00 0.00 O ATOM 0 H ASP A 39 -5.544 8.014 4.918 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.666 9.926 4.886 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.417 10.093 6.074 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.680 10.361 4.507 1.00 0.00 H new ATOM 576 N ALA A 40 -5.885 9.502 2.139 1.00 0.00 N ATOM 577 CA ALA A 40 -5.862 9.764 0.705 1.00 0.00 C ATOM 578 C ALA A 40 -7.160 9.311 0.045 1.00 0.00 C ATOM 579 O ALA A 40 -7.849 10.103 -0.601 1.00 0.00 O ATOM 580 CB ALA A 40 -4.671 9.072 0.061 1.00 0.00 C ATOM 0 H ALA A 40 -5.141 8.886 2.467 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.765 10.840 0.558 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.667 9.276 -1.010 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.749 9.446 0.506 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.743 7.997 0.225 1.00 0.00 H new ATOM 586 N LEU A 41 -7.489 8.035 0.210 1.00 0.00 N ATOM 587 CA LEU A 41 -8.705 7.477 -0.371 1.00 0.00 C ATOM 588 C LEU A 41 -9.941 7.976 0.370 1.00 0.00 C ATOM 589 O LEU A 41 -11.071 7.642 0.010 1.00 0.00 O ATOM 590 CB LEU A 41 -8.656 5.948 -0.333 1.00 0.00 C ATOM 591 CG LEU A 41 -7.911 5.272 -1.485 1.00 0.00 C ATOM 592 CD1 LEU A 41 -7.667 3.803 -1.172 1.00 0.00 C ATOM 593 CD2 LEU A 41 -8.688 5.422 -2.784 1.00 0.00 C ATOM 0 H LEU A 41 -6.931 7.367 0.741 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.768 7.807 -1.408 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.190 5.642 0.604 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.679 5.572 -0.318 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.945 5.762 -1.606 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.136 3.337 -2.002 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.068 3.719 -0.265 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.622 3.299 -1.024 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.143 4.935 -3.592 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.669 4.958 -2.677 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -8.810 6.480 -3.015 1.00 0.00 H new ATOM 605 N VAL A 42 -9.721 8.781 1.404 1.00 0.00 N ATOM 606 CA VAL A 42 -10.817 9.329 2.194 1.00 0.00 C ATOM 607 C VAL A 42 -11.853 8.258 2.513 1.00 0.00 C ATOM 608 O VAL A 42 -13.053 8.465 2.326 1.00 0.00 O ATOM 609 CB VAL A 42 -11.507 10.495 1.461 1.00 0.00 C ATOM 610 CG1 VAL A 42 -12.485 11.203 2.387 1.00 0.00 C ATOM 611 CG2 VAL A 42 -10.474 11.469 0.917 1.00 0.00 C ATOM 0 H VAL A 42 -8.793 9.068 1.715 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.385 9.699 3.124 1.00 0.00 H new ATOM 0 HB VAL A 42 -12.069 10.091 0.619 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -12.963 12.024 1.852 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -13.245 10.497 2.722 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -11.949 11.596 3.251 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -10.980 12.286 0.402 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -9.883 11.870 1.740 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -9.818 10.951 0.218 1.00 0.00 H new ATOM 621 N ILE A 43 -11.384 7.114 2.998 1.00 0.00 N ATOM 622 CA ILE A 43 -12.271 6.011 3.345 1.00 0.00 C ATOM 623 C ILE A 43 -13.112 6.346 4.572 1.00 0.00 C ATOM 624 O ILE A 43 -12.621 6.943 5.529 1.00 0.00 O ATOM 625 CB ILE A 43 -11.480 4.717 3.617 1.00 0.00 C ATOM 626 CG1 ILE A 43 -10.546 4.409 2.446 1.00 0.00 C ATOM 627 CG2 ILE A 43 -12.433 3.557 3.862 1.00 0.00 C ATOM 628 CD1 ILE A 43 -9.461 3.411 2.785 1.00 0.00 C ATOM 0 H ILE A 43 -10.394 6.927 3.160 1.00 0.00 H new ATOM 0 HA ILE A 43 -12.928 5.854 2.489 1.00 0.00 H new ATOM 0 HB ILE A 43 -10.874 4.859 4.512 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -11.135 4.024 1.613 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.083 5.336 2.108 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -11.860 2.650 4.053 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -13.061 3.778 4.725 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -13.062 3.411 2.984 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -8.837 3.241 1.908 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.848 3.802 3.597 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -9.916 2.470 3.095 1.00 0.00 H new ATOM 640 N ALA A 44 -14.383 5.958 4.536 1.00 0.00 N ATOM 641 CA ALA A 44 -15.291 6.215 5.647 1.00 0.00 C ATOM 642 C ALA A 44 -14.848 5.472 6.902 1.00 0.00 C ATOM 643 O ALA A 44 -14.567 6.084 7.933 1.00 0.00 O ATOM 644 CB ALA A 44 -16.711 5.817 5.270 1.00 0.00 C ATOM 0 H ALA A 44 -14.807 5.465 3.750 1.00 0.00 H new ATOM 0 HA ALA A 44 -15.269 7.283 5.862 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -17.379 6.014 6.109 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -17.034 6.396 4.405 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -16.739 4.755 5.026 1.00 0.00 H new ATOM 650 N THR A 45 -14.786 4.147 6.810 1.00 0.00 N ATOM 651 CA THR A 45 -14.378 3.320 7.938 1.00 0.00 C ATOM 652 C THR A 45 -12.861 3.195 8.008 1.00 0.00 C ATOM 653 O THR A 45 -12.166 3.375 7.009 1.00 0.00 O ATOM 654 CB THR A 45 -14.995 1.911 7.854 1.00 0.00 C ATOM 655 OG1 THR A 45 -14.745 1.194 9.068 1.00 0.00 O ATOM 656 CG2 THR A 45 -14.423 1.139 6.676 1.00 0.00 C ATOM 0 H THR A 45 -15.014 3.624 5.965 1.00 0.00 H new ATOM 0 HA THR A 45 -14.741 3.814 8.839 1.00 0.00 H new ATOM 0 HB THR A 45 -16.070 2.017 7.710 1.00 0.00 H new ATOM 0 HG1 THR A 45 -15.142 0.300 9.008 1.00 0.00 H new ATOM 0 HG21 THR A 45 -14.874 0.147 6.637 1.00 0.00 H new ATOM 0 HG22 THR A 45 -14.641 1.673 5.751 1.00 0.00 H new ATOM 0 HG23 THR A 45 -13.344 1.043 6.794 1.00 0.00 H new ATOM 664 N GLY A 46 -12.351 2.882 9.196 1.00 0.00 N ATOM 665 CA GLY A 46 -10.918 2.737 9.373 1.00 0.00 C ATOM 666 C GLY A 46 -10.470 1.290 9.315 1.00 0.00 C ATOM 667 O GLY A 46 -9.361 0.993 8.870 1.00 0.00 O ATOM 0 H GLY A 46 -12.905 2.726 10.038 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.400 3.306 8.601 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -10.628 3.166 10.332 1.00 0.00 H new ATOM 671 N LEU A 47 -11.334 0.386 9.765 1.00 0.00 N ATOM 672 CA LEU A 47 -11.020 -1.038 9.764 1.00 0.00 C ATOM 673 C LEU A 47 -10.827 -1.552 8.341 1.00 0.00 C ATOM 674 O LEU A 47 -11.791 -1.897 7.658 1.00 0.00 O ATOM 675 CB LEU A 47 -12.134 -1.826 10.456 1.00 0.00 C ATOM 676 CG LEU A 47 -11.802 -3.271 10.832 1.00 0.00 C ATOM 677 CD1 LEU A 47 -10.999 -3.939 9.726 1.00 0.00 C ATOM 678 CD2 LEU A 47 -11.040 -3.317 12.148 1.00 0.00 C ATOM 0 H LEU A 47 -12.257 0.614 10.135 1.00 0.00 H new ATOM 0 HA LEU A 47 -10.088 -1.180 10.311 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -12.420 -1.292 11.363 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -13.006 -1.833 9.802 1.00 0.00 H new ATOM 0 HG LEU A 47 -12.736 -3.818 10.956 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -10.772 -4.966 10.011 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -11.580 -3.938 8.804 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -10.069 -3.392 9.570 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -10.812 -4.353 12.400 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -10.112 -2.754 12.051 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -11.650 -2.877 12.937 1.00 0.00 H new ATOM 690 N VAL A 48 -9.574 -1.602 7.900 1.00 0.00 N ATOM 691 CA VAL A 48 -9.254 -2.076 6.559 1.00 0.00 C ATOM 692 C VAL A 48 -7.968 -2.896 6.559 1.00 0.00 C ATOM 693 O VAL A 48 -7.204 -2.875 7.526 1.00 0.00 O ATOM 694 CB VAL A 48 -9.103 -0.906 5.570 1.00 0.00 C ATOM 695 CG1 VAL A 48 -10.408 -0.133 5.456 1.00 0.00 C ATOM 696 CG2 VAL A 48 -7.968 0.011 5.999 1.00 0.00 C ATOM 0 H VAL A 48 -8.764 -1.320 8.452 1.00 0.00 H new ATOM 0 HA VAL A 48 -10.084 -2.706 6.240 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.860 -1.312 4.588 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -10.283 0.690 4.753 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -11.195 -0.798 5.100 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.683 0.263 6.434 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.876 0.832 5.289 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -8.179 0.411 6.991 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.035 -0.552 6.026 1.00 0.00 H new ATOM 706 N THR A 49 -7.732 -3.618 5.468 1.00 0.00 N ATOM 707 CA THR A 49 -6.539 -4.444 5.342 1.00 0.00 C ATOM 708 C THR A 49 -5.791 -4.137 4.049 1.00 0.00 C ATOM 709 O THR A 49 -6.379 -4.130 2.967 1.00 0.00 O ATOM 710 CB THR A 49 -6.889 -5.944 5.374 1.00 0.00 C ATOM 711 OG1 THR A 49 -7.417 -6.297 6.659 1.00 0.00 O ATOM 712 CG2 THR A 49 -5.662 -6.793 5.075 1.00 0.00 C ATOM 0 H THR A 49 -8.352 -3.647 4.659 1.00 0.00 H new ATOM 0 HA THR A 49 -5.900 -4.208 6.193 1.00 0.00 H new ATOM 0 HB THR A 49 -7.640 -6.135 4.607 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.639 -7.252 6.671 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.934 -7.848 5.103 1.00 0.00 H new ATOM 0 HG22 THR A 49 -5.279 -6.543 4.085 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.893 -6.596 5.822 1.00 0.00 H new ATOM 720 N LEU A 50 -4.492 -3.885 4.168 1.00 0.00 N ATOM 721 CA LEU A 50 -3.664 -3.577 3.008 1.00 0.00 C ATOM 722 C LEU A 50 -2.949 -4.826 2.503 1.00 0.00 C ATOM 723 O LEU A 50 -2.356 -5.574 3.282 1.00 0.00 O ATOM 724 CB LEU A 50 -2.639 -2.498 3.360 1.00 0.00 C ATOM 725 CG LEU A 50 -2.032 -1.737 2.181 1.00 0.00 C ATOM 726 CD1 LEU A 50 -3.002 -0.684 1.669 1.00 0.00 C ATOM 727 CD2 LEU A 50 -0.710 -1.099 2.582 1.00 0.00 C ATOM 0 H LEU A 50 -3.990 -3.888 5.056 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.315 -3.207 2.216 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.114 -1.777 4.025 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.829 -2.964 3.921 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.840 -2.446 1.375 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.553 -0.153 0.830 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.923 -1.166 1.342 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.227 0.023 2.468 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.292 -0.562 1.731 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.876 -0.403 3.404 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.013 -1.875 2.899 1.00 0.00 H new ATOM 739 N VAL A 51 -3.007 -5.047 1.194 1.00 0.00 N ATOM 740 CA VAL A 51 -2.363 -6.204 0.582 1.00 0.00 C ATOM 741 C VAL A 51 -1.725 -5.837 -0.752 1.00 0.00 C ATOM 742 O VAL A 51 -1.896 -4.723 -1.249 1.00 0.00 O ATOM 743 CB VAL A 51 -3.366 -7.352 0.361 1.00 0.00 C ATOM 744 CG1 VAL A 51 -3.993 -7.775 1.681 1.00 0.00 C ATOM 745 CG2 VAL A 51 -4.435 -6.940 -0.639 1.00 0.00 C ATOM 0 H VAL A 51 -3.494 -4.439 0.535 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.587 -6.536 1.272 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.828 -8.207 -0.049 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.699 -8.587 1.505 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -3.213 -8.114 2.362 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.518 -6.928 2.123 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.135 -7.763 -0.783 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.971 -6.070 -0.261 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.966 -6.692 -1.591 1.00 0.00 H new ATOM 755 N LEU A 52 -0.988 -6.780 -1.328 1.00 0.00 N ATOM 756 CA LEU A 52 -0.323 -6.556 -2.607 1.00 0.00 C ATOM 757 C LEU A 52 -1.314 -6.663 -3.761 1.00 0.00 C ATOM 758 O LEU A 52 -2.163 -7.552 -3.782 1.00 0.00 O ATOM 759 CB LEU A 52 0.811 -7.566 -2.798 1.00 0.00 C ATOM 760 CG LEU A 52 1.942 -7.508 -1.772 1.00 0.00 C ATOM 761 CD1 LEU A 52 2.882 -8.690 -1.946 1.00 0.00 C ATOM 762 CD2 LEU A 52 2.703 -6.196 -1.891 1.00 0.00 C ATOM 0 H LEU A 52 -0.836 -7.707 -0.930 1.00 0.00 H new ATOM 0 HA LEU A 52 0.093 -5.549 -2.601 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.384 -8.569 -2.782 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.239 -7.418 -3.789 1.00 0.00 H new ATOM 0 HG LEU A 52 1.505 -7.562 -0.775 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.681 -8.631 -1.207 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.328 -9.619 -1.809 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.312 -8.669 -2.947 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.505 -6.172 -1.153 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.128 -6.111 -2.891 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.022 -5.363 -1.714 1.00 0.00 H new ATOM 774 N GLU A 53 -1.196 -5.749 -4.722 1.00 0.00 N ATOM 775 CA GLU A 53 -2.082 -5.742 -5.880 1.00 0.00 C ATOM 776 C GLU A 53 -1.608 -6.740 -6.933 1.00 0.00 C ATOM 777 O GLU A 53 -2.022 -6.680 -8.090 1.00 0.00 O ATOM 778 CB GLU A 53 -2.152 -4.339 -6.487 1.00 0.00 C ATOM 779 CG GLU A 53 -3.479 -4.035 -7.162 1.00 0.00 C ATOM 780 CD GLU A 53 -3.341 -3.036 -8.296 1.00 0.00 C ATOM 781 OE1 GLU A 53 -3.099 -3.470 -9.442 1.00 0.00 O ATOM 782 OE2 GLU A 53 -3.475 -1.823 -8.036 1.00 0.00 O ATOM 0 H GLU A 53 -0.497 -5.006 -4.720 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.077 -6.036 -5.547 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.976 -3.603 -5.702 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.349 -4.227 -7.215 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.907 -4.960 -7.548 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.178 -3.645 -6.422 1.00 0.00 H new ATOM 789 N GLU A 54 -0.738 -7.657 -6.522 1.00 0.00 N ATOM 790 CA GLU A 54 -0.207 -8.667 -7.430 1.00 0.00 C ATOM 791 C GLU A 54 -0.712 -10.057 -7.052 1.00 0.00 C ATOM 792 O GLU A 54 -1.211 -10.799 -7.899 1.00 0.00 O ATOM 793 CB GLU A 54 1.323 -8.647 -7.413 1.00 0.00 C ATOM 794 CG GLU A 54 1.933 -9.572 -6.373 1.00 0.00 C ATOM 795 CD GLU A 54 3.447 -9.613 -6.446 1.00 0.00 C ATOM 796 OE1 GLU A 54 4.056 -8.559 -6.723 1.00 0.00 O ATOM 797 OE2 GLU A 54 4.023 -10.700 -6.226 1.00 0.00 O ATOM 0 H GLU A 54 -0.386 -7.721 -5.567 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.555 -8.433 -8.436 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.692 -8.929 -8.399 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.662 -7.628 -7.225 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.630 -9.245 -5.378 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.539 -10.579 -6.512 1.00 0.00 H new ATOM 804 N ASP A 55 -0.578 -10.402 -5.777 1.00 0.00 N ATOM 805 CA ASP A 55 -1.020 -11.703 -5.287 1.00 0.00 C ATOM 806 C ASP A 55 -1.980 -11.542 -4.112 1.00 0.00 C ATOM 807 O ASP A 55 -2.567 -12.515 -3.640 1.00 0.00 O ATOM 808 CB ASP A 55 0.182 -12.550 -4.868 1.00 0.00 C ATOM 809 CG ASP A 55 0.985 -13.041 -6.056 1.00 0.00 C ATOM 810 OD1 ASP A 55 0.432 -13.075 -7.173 1.00 0.00 O ATOM 811 OD2 ASP A 55 2.170 -13.393 -5.866 1.00 0.00 O ATOM 0 H ASP A 55 -0.167 -9.800 -5.064 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.546 -12.210 -6.096 1.00 0.00 H new ATOM 0 HB2 ASP A 55 0.827 -11.962 -4.215 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -0.164 -13.406 -4.288 1.00 0.00 H new ATOM 816 N GLY A 56 -2.133 -10.307 -3.643 1.00 0.00 N ATOM 817 CA GLY A 56 -3.020 -10.042 -2.526 1.00 0.00 C ATOM 818 C GLY A 56 -2.425 -10.468 -1.198 1.00 0.00 C ATOM 819 O GLY A 56 -3.142 -10.907 -0.299 1.00 0.00 O ATOM 0 H GLY A 56 -1.658 -9.485 -4.017 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.249 -8.977 -2.493 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.963 -10.566 -2.683 1.00 0.00 H new ATOM 823 N THR A 57 -1.108 -10.339 -1.073 1.00 0.00 N ATOM 824 CA THR A 57 -0.415 -10.717 0.152 1.00 0.00 C ATOM 825 C THR A 57 -0.450 -9.585 1.174 1.00 0.00 C ATOM 826 O THR A 57 0.277 -8.599 1.047 1.00 0.00 O ATOM 827 CB THR A 57 1.051 -11.098 -0.126 1.00 0.00 C ATOM 828 OG1 THR A 57 1.112 -12.100 -1.147 1.00 0.00 O ATOM 829 CG2 THR A 57 1.725 -11.613 1.137 1.00 0.00 C ATOM 0 H THR A 57 -0.499 -9.975 -1.806 1.00 0.00 H new ATOM 0 HA THR A 57 -0.937 -11.585 0.556 1.00 0.00 H new ATOM 0 HB THR A 57 1.578 -10.205 -0.462 1.00 0.00 H new ATOM 0 HG1 THR A 57 2.048 -12.335 -1.319 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.760 -11.876 0.916 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.703 -10.838 1.903 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.196 -12.495 1.498 1.00 0.00 H new ATOM 837 N VAL A 58 -1.297 -9.734 2.186 1.00 0.00 N ATOM 838 CA VAL A 58 -1.426 -8.725 3.231 1.00 0.00 C ATOM 839 C VAL A 58 -0.064 -8.366 3.816 1.00 0.00 C ATOM 840 O VAL A 58 0.641 -9.223 4.349 1.00 0.00 O ATOM 841 CB VAL A 58 -2.350 -9.204 4.365 1.00 0.00 C ATOM 842 CG1 VAL A 58 -1.900 -10.562 4.883 1.00 0.00 C ATOM 843 CG2 VAL A 58 -2.388 -8.182 5.491 1.00 0.00 C ATOM 0 H VAL A 58 -1.905 -10.544 2.305 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.865 -7.842 2.767 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.359 -9.309 3.967 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.565 -10.884 5.684 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.930 -11.289 4.072 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.882 -10.487 5.265 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.046 -8.538 6.283 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.383 -8.042 5.889 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.762 -7.232 5.108 1.00 0.00 H new ATOM 853 N VAL A 59 0.299 -7.090 3.716 1.00 0.00 N ATOM 854 CA VAL A 59 1.575 -6.616 4.238 1.00 0.00 C ATOM 855 C VAL A 59 1.406 -5.991 5.617 1.00 0.00 C ATOM 856 O VAL A 59 0.949 -4.855 5.745 1.00 0.00 O ATOM 857 CB VAL A 59 2.219 -5.583 3.293 1.00 0.00 C ATOM 858 CG1 VAL A 59 3.644 -5.277 3.728 1.00 0.00 C ATOM 859 CG2 VAL A 59 2.186 -6.083 1.857 1.00 0.00 C ATOM 0 H VAL A 59 -0.273 -6.367 3.279 1.00 0.00 H new ATOM 0 HA VAL A 59 2.229 -7.485 4.314 1.00 0.00 H new ATOM 0 HB VAL A 59 1.643 -4.659 3.345 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.083 -4.546 3.049 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.637 -4.873 4.740 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.235 -6.192 3.707 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.645 -5.341 1.203 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.737 -7.021 1.785 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.152 -6.246 1.552 1.00 0.00 H new ATOM 869 N ASP A 60 1.780 -6.739 6.650 1.00 0.00 N ATOM 870 CA ASP A 60 1.671 -6.258 8.022 1.00 0.00 C ATOM 871 C ASP A 60 3.053 -6.054 8.637 1.00 0.00 C ATOM 872 O ASP A 60 3.181 -5.527 9.743 1.00 0.00 O ATOM 873 CB ASP A 60 0.864 -7.243 8.869 1.00 0.00 C ATOM 874 CG ASP A 60 0.328 -6.612 10.139 1.00 0.00 C ATOM 875 OD1 ASP A 60 1.139 -6.328 11.047 1.00 0.00 O ATOM 876 OD2 ASP A 60 -0.899 -6.402 10.225 1.00 0.00 O ATOM 0 H ASP A 60 2.161 -7.681 6.563 1.00 0.00 H new ATOM 0 HA ASP A 60 1.154 -5.298 8.004 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.032 -7.628 8.279 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.493 -8.095 9.128 1.00 0.00 H new ATOM 881 N THR A 61 4.085 -6.476 7.914 1.00 0.00 N ATOM 882 CA THR A 61 5.457 -6.340 8.388 1.00 0.00 C ATOM 883 C THR A 61 6.174 -5.196 7.681 1.00 0.00 C ATOM 884 O THR A 61 5.930 -4.933 6.504 1.00 0.00 O ATOM 885 CB THR A 61 6.256 -7.641 8.175 1.00 0.00 C ATOM 886 OG1 THR A 61 5.852 -8.268 6.952 1.00 0.00 O ATOM 887 CG2 THR A 61 6.046 -8.601 9.336 1.00 0.00 C ATOM 0 H THR A 61 3.997 -6.915 6.998 1.00 0.00 H new ATOM 0 HA THR A 61 5.402 -6.125 9.455 1.00 0.00 H new ATOM 0 HB THR A 61 7.315 -7.387 8.121 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.365 -9.093 6.822 1.00 0.00 H new ATOM 0 HG21 THR A 61 6.620 -9.512 9.163 1.00 0.00 H new ATOM 0 HG22 THR A 61 6.380 -8.132 10.261 1.00 0.00 H new ATOM 0 HG23 THR A 61 4.988 -8.849 9.416 1.00 0.00 H new ATOM 895 N GLU A 62 7.058 -4.519 8.407 1.00 0.00 N ATOM 896 CA GLU A 62 7.809 -3.402 7.847 1.00 0.00 C ATOM 897 C GLU A 62 9.004 -3.900 7.039 1.00 0.00 C ATOM 898 O GLU A 62 9.389 -3.291 6.041 1.00 0.00 O ATOM 899 CB GLU A 62 8.288 -2.471 8.963 1.00 0.00 C ATOM 900 CG GLU A 62 8.787 -1.127 8.461 1.00 0.00 C ATOM 901 CD GLU A 62 8.824 -0.073 9.552 1.00 0.00 C ATOM 902 OE1 GLU A 62 7.748 0.262 10.090 1.00 0.00 O ATOM 903 OE2 GLU A 62 9.930 0.414 9.868 1.00 0.00 O ATOM 0 H GLU A 62 7.271 -4.724 9.383 1.00 0.00 H new ATOM 0 HA GLU A 62 7.146 -2.850 7.181 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.470 -2.307 9.664 1.00 0.00 H new ATOM 0 HB3 GLU A 62 9.088 -2.963 9.517 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.787 -1.248 8.044 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.143 -0.784 7.651 1.00 0.00 H new ATOM 910 N GLU A 63 9.586 -5.013 7.478 1.00 0.00 N ATOM 911 CA GLU A 63 10.737 -5.592 6.795 1.00 0.00 C ATOM 912 C GLU A 63 10.393 -5.943 5.350 1.00 0.00 C ATOM 913 O GLU A 63 11.199 -5.737 4.442 1.00 0.00 O ATOM 914 CB GLU A 63 11.219 -6.843 7.534 1.00 0.00 C ATOM 915 CG GLU A 63 10.150 -7.911 7.683 1.00 0.00 C ATOM 916 CD GLU A 63 10.709 -9.233 8.174 1.00 0.00 C ATOM 917 OE1 GLU A 63 11.537 -9.829 7.455 1.00 0.00 O ATOM 918 OE2 GLU A 63 10.320 -9.669 9.278 1.00 0.00 O ATOM 0 H GLU A 63 9.280 -5.530 8.302 1.00 0.00 H new ATOM 0 HA GLU A 63 11.536 -4.850 6.790 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.070 -7.265 7.000 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.574 -6.556 8.524 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.388 -7.562 8.380 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.658 -8.063 6.722 1.00 0.00 H new ATOM 925 N PHE A 64 9.192 -6.472 5.145 1.00 0.00 N ATOM 926 CA PHE A 64 8.742 -6.853 3.812 1.00 0.00 C ATOM 927 C PHE A 64 8.371 -5.621 2.990 1.00 0.00 C ATOM 928 O PHE A 64 8.613 -5.570 1.784 1.00 0.00 O ATOM 929 CB PHE A 64 7.542 -7.797 3.906 1.00 0.00 C ATOM 930 CG PHE A 64 7.024 -8.244 2.568 1.00 0.00 C ATOM 931 CD1 PHE A 64 7.872 -8.834 1.644 1.00 0.00 C ATOM 932 CD2 PHE A 64 5.690 -8.075 2.234 1.00 0.00 C ATOM 933 CE1 PHE A 64 7.400 -9.246 0.413 1.00 0.00 C ATOM 934 CE2 PHE A 64 5.212 -8.486 1.005 1.00 0.00 C ATOM 935 CZ PHE A 64 6.068 -9.071 0.093 1.00 0.00 C ATOM 0 H PHE A 64 8.512 -6.647 5.885 1.00 0.00 H new ATOM 0 HA PHE A 64 9.563 -7.368 3.312 1.00 0.00 H new ATOM 0 HB2 PHE A 64 7.824 -8.674 4.489 1.00 0.00 H new ATOM 0 HB3 PHE A 64 6.739 -7.298 4.449 1.00 0.00 H new ATOM 0 HD1 PHE A 64 8.914 -8.973 1.889 1.00 0.00 H new ATOM 0 HD2 PHE A 64 5.016 -7.617 2.943 1.00 0.00 H new ATOM 0 HE1 PHE A 64 8.071 -9.704 -0.298 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.170 -8.350 0.758 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.696 -9.391 -0.869 1.00 0.00 H new ATOM 945 N PHE A 65 7.783 -4.631 3.653 1.00 0.00 N ATOM 946 CA PHE A 65 7.377 -3.400 2.985 1.00 0.00 C ATOM 947 C PHE A 65 8.595 -2.570 2.588 1.00 0.00 C ATOM 948 O PHE A 65 8.536 -1.771 1.654 1.00 0.00 O ATOM 949 CB PHE A 65 6.463 -2.578 3.896 1.00 0.00 C ATOM 950 CG PHE A 65 6.494 -1.105 3.607 1.00 0.00 C ATOM 951 CD1 PHE A 65 7.637 -0.362 3.855 1.00 0.00 C ATOM 952 CD2 PHE A 65 5.382 -0.463 3.087 1.00 0.00 C ATOM 953 CE1 PHE A 65 7.668 0.995 3.590 1.00 0.00 C ATOM 954 CE2 PHE A 65 5.407 0.892 2.820 1.00 0.00 C ATOM 955 CZ PHE A 65 6.553 1.622 3.072 1.00 0.00 C ATOM 0 H PHE A 65 7.577 -4.657 4.652 1.00 0.00 H new ATOM 0 HA PHE A 65 6.831 -3.670 2.081 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.440 -2.939 3.791 1.00 0.00 H new ATOM 0 HB3 PHE A 65 6.755 -2.743 4.933 1.00 0.00 H new ATOM 0 HD1 PHE A 65 8.513 -0.848 4.259 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.484 -1.029 2.888 1.00 0.00 H new ATOM 0 HE1 PHE A 65 8.564 1.564 3.788 1.00 0.00 H new ATOM 0 HE2 PHE A 65 4.533 1.380 2.415 1.00 0.00 H new ATOM 0 HZ PHE A 65 6.576 2.682 2.864 1.00 0.00 H new ATOM 965 N GLN A 66 9.698 -2.767 3.305 1.00 0.00 N ATOM 966 CA GLN A 66 10.928 -2.036 3.028 1.00 0.00 C ATOM 967 C GLN A 66 11.671 -2.649 1.845 1.00 0.00 C ATOM 968 O GLN A 66 12.580 -2.037 1.283 1.00 0.00 O ATOM 969 CB GLN A 66 11.830 -2.028 4.263 1.00 0.00 C ATOM 970 CG GLN A 66 11.316 -1.139 5.384 1.00 0.00 C ATOM 971 CD GLN A 66 11.739 0.308 5.223 1.00 0.00 C ATOM 972 OE1 GLN A 66 12.537 0.640 4.347 1.00 0.00 O ATOM 973 NE2 GLN A 66 11.204 1.180 6.071 1.00 0.00 N ATOM 0 H GLN A 66 9.764 -3.426 4.081 1.00 0.00 H new ATOM 0 HA GLN A 66 10.662 -1.010 2.774 1.00 0.00 H new ATOM 0 HB2 GLN A 66 11.931 -3.047 4.636 1.00 0.00 H new ATOM 0 HB3 GLN A 66 12.826 -1.694 3.973 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.228 -1.194 5.416 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.682 -1.516 6.339 1.00 0.00 H new ATOM 0 HE21 GLN A 66 10.546 0.862 6.782 1.00 0.00 H new ATOM 0 HE22 GLN A 66 11.451 2.168 6.010 1.00 0.00 H new ATOM 982 N THR A 67 11.278 -3.863 1.471 1.00 0.00 N ATOM 983 CA THR A 67 11.908 -4.561 0.357 1.00 0.00 C ATOM 984 C THR A 67 11.167 -4.293 -0.948 1.00 0.00 C ATOM 985 O THR A 67 11.747 -4.378 -2.031 1.00 0.00 O ATOM 986 CB THR A 67 11.960 -6.081 0.602 1.00 0.00 C ATOM 987 OG1 THR A 67 10.642 -6.582 0.854 1.00 0.00 O ATOM 988 CG2 THR A 67 12.864 -6.408 1.780 1.00 0.00 C ATOM 0 H THR A 67 10.526 -4.383 1.923 1.00 0.00 H new ATOM 0 HA THR A 67 12.926 -4.179 0.280 1.00 0.00 H new ATOM 0 HB THR A 67 12.365 -6.557 -0.291 1.00 0.00 H new ATOM 0 HG1 THR A 67 10.003 -5.839 0.851 1.00 0.00 H new ATOM 0 HG21 THR A 67 12.885 -7.487 1.934 1.00 0.00 H new ATOM 0 HG22 THR A 67 13.873 -6.051 1.574 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.483 -5.921 2.677 1.00 0.00 H new ATOM 996 N LEU A 68 9.884 -3.969 -0.839 1.00 0.00 N ATOM 997 CA LEU A 68 9.063 -3.688 -2.011 1.00 0.00 C ATOM 998 C LEU A 68 9.596 -2.476 -2.771 1.00 0.00 C ATOM 999 O LEU A 68 9.813 -1.413 -2.192 1.00 0.00 O ATOM 1000 CB LEU A 68 7.611 -3.444 -1.595 1.00 0.00 C ATOM 1001 CG LEU A 68 6.929 -4.585 -0.840 1.00 0.00 C ATOM 1002 CD1 LEU A 68 5.519 -4.188 -0.434 1.00 0.00 C ATOM 1003 CD2 LEU A 68 6.905 -5.848 -1.690 1.00 0.00 C ATOM 0 H LEU A 68 9.389 -3.894 0.050 1.00 0.00 H new ATOM 0 HA LEU A 68 9.105 -4.555 -2.670 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.578 -2.551 -0.971 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.029 -3.228 -2.491 1.00 0.00 H new ATOM 0 HG LEU A 68 7.502 -4.790 0.064 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.049 -5.012 0.102 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.560 -3.311 0.212 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.936 -3.955 -1.325 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.416 -6.650 -1.137 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.356 -5.656 -2.612 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.926 -6.144 -1.931 1.00 0.00 H new ATOM 1015 N GLY A 69 9.804 -2.646 -4.074 1.00 0.00 N ATOM 1016 CA GLY A 69 10.308 -1.559 -4.892 1.00 0.00 C ATOM 1017 C GLY A 69 9.434 -0.323 -4.816 1.00 0.00 C ATOM 1018 O GLY A 69 8.553 -0.229 -3.961 1.00 0.00 O ATOM 0 H GLY A 69 9.632 -3.517 -4.577 1.00 0.00 H new ATOM 0 HA2 GLY A 69 11.319 -1.306 -4.572 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.375 -1.889 -5.929 1.00 0.00 H new ATOM 1022 N ASP A 70 9.677 0.629 -5.711 1.00 0.00 N ATOM 1023 CA ASP A 70 8.906 1.865 -5.741 1.00 0.00 C ATOM 1024 C ASP A 70 7.651 1.703 -6.594 1.00 0.00 C ATOM 1025 O ASP A 70 7.510 0.726 -7.327 1.00 0.00 O ATOM 1026 CB ASP A 70 9.761 3.011 -6.284 1.00 0.00 C ATOM 1027 CG ASP A 70 10.684 2.566 -7.402 1.00 0.00 C ATOM 1028 OD1 ASP A 70 10.255 1.732 -8.227 1.00 0.00 O ATOM 1029 OD2 ASP A 70 11.833 3.052 -7.452 1.00 0.00 O ATOM 0 H ASP A 70 10.402 0.567 -6.425 1.00 0.00 H new ATOM 0 HA ASP A 70 8.602 2.099 -4.721 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.110 3.805 -6.649 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.355 3.433 -5.473 1.00 0.00 H new ATOM 1034 N ASN A 71 6.742 2.667 -6.489 1.00 0.00 N ATOM 1035 CA ASN A 71 5.498 2.629 -7.249 1.00 0.00 C ATOM 1036 C ASN A 71 4.817 1.271 -7.111 1.00 0.00 C ATOM 1037 O ASN A 71 4.184 0.783 -8.049 1.00 0.00 O ATOM 1038 CB ASN A 71 5.769 2.930 -8.724 1.00 0.00 C ATOM 1039 CG ASN A 71 6.667 4.138 -8.914 1.00 0.00 C ATOM 1040 OD1 ASN A 71 6.239 5.278 -8.736 1.00 0.00 O ATOM 1041 ND2 ASN A 71 7.920 3.890 -9.276 1.00 0.00 N ATOM 0 H ASN A 71 6.843 3.483 -5.886 1.00 0.00 H new ATOM 0 HA ASN A 71 4.831 3.391 -6.846 1.00 0.00 H new ATOM 0 HB2 ASN A 71 6.232 2.060 -9.190 1.00 0.00 H new ATOM 0 HB3 ASN A 71 4.822 3.101 -9.237 1.00 0.00 H new ATOM 0 HD21 ASN A 71 8.572 4.661 -9.418 1.00 0.00 H new ATOM 0 HD22 ASN A 71 8.231 2.928 -9.412 1.00 0.00 H new ATOM 1048 N THR A 72 4.951 0.665 -5.936 1.00 0.00 N ATOM 1049 CA THR A 72 4.350 -0.637 -5.675 1.00 0.00 C ATOM 1050 C THR A 72 2.834 -0.530 -5.558 1.00 0.00 C ATOM 1051 O THR A 72 2.317 0.252 -4.760 1.00 0.00 O ATOM 1052 CB THR A 72 4.910 -1.266 -4.386 1.00 0.00 C ATOM 1053 OG1 THR A 72 6.336 -1.364 -4.467 1.00 0.00 O ATOM 1054 CG2 THR A 72 4.314 -2.647 -4.155 1.00 0.00 C ATOM 0 H THR A 72 5.471 1.055 -5.150 1.00 0.00 H new ATOM 0 HA THR A 72 4.602 -1.276 -6.521 1.00 0.00 H new ATOM 0 HB THR A 72 4.638 -0.625 -3.548 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.743 -0.597 -4.012 1.00 0.00 H new ATOM 0 HG21 THR A 72 4.724 -3.072 -3.239 1.00 0.00 H new ATOM 0 HG22 THR A 72 3.231 -2.565 -4.064 1.00 0.00 H new ATOM 0 HG23 THR A 72 4.559 -3.295 -4.997 1.00 0.00 H new ATOM 1062 N HIS A 73 2.125 -1.320 -6.359 1.00 0.00 N ATOM 1063 CA HIS A 73 0.667 -1.314 -6.344 1.00 0.00 C ATOM 1064 C HIS A 73 0.133 -2.066 -5.128 1.00 0.00 C ATOM 1065 O HIS A 73 0.579 -3.174 -4.826 1.00 0.00 O ATOM 1066 CB HIS A 73 0.120 -1.941 -7.626 1.00 0.00 C ATOM 1067 CG HIS A 73 0.057 -0.987 -8.779 1.00 0.00 C ATOM 1068 ND1 HIS A 73 -0.761 0.066 -9.014 1.00 0.00 N flip ATOM 1069 CD2 HIS A 73 0.905 -1.060 -9.864 1.00 0.00 C flip ATOM 1070 CE1 HIS A 73 -0.395 0.605 -10.222 1.00 0.00 C flip ATOM 1071 NE2 HIS A 73 0.613 -0.093 -10.715 1.00 0.00 N flip ATOM 0 H HIS A 73 2.537 -1.972 -7.026 1.00 0.00 H new ATOM 0 HA HIS A 73 0.333 -0.278 -6.284 1.00 0.00 H new ATOM 0 HB2 HIS A 73 0.746 -2.790 -7.901 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -0.879 -2.331 -7.432 1.00 0.00 H new ATOM 0 HD2 HIS A 73 1.686 -1.794 -9.997 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -0.856 1.461 -10.693 1.00 0.00 H new ATOM 0 HE2 HIS A 73 1.085 0.085 -11.602 1.00 0.00 H new ATOM 1080 N PHE A 74 -0.821 -1.457 -4.433 1.00 0.00 N ATOM 1081 CA PHE A 74 -1.415 -2.068 -3.250 1.00 0.00 C ATOM 1082 C PHE A 74 -2.932 -2.158 -3.386 1.00 0.00 C ATOM 1083 O PHE A 74 -3.528 -1.511 -4.248 1.00 0.00 O ATOM 1084 CB PHE A 74 -1.051 -1.267 -1.999 1.00 0.00 C ATOM 1085 CG PHE A 74 0.408 -1.335 -1.647 1.00 0.00 C ATOM 1086 CD1 PHE A 74 1.075 -2.548 -1.634 1.00 0.00 C ATOM 1087 CD2 PHE A 74 1.112 -0.184 -1.330 1.00 0.00 C ATOM 1088 CE1 PHE A 74 2.417 -2.614 -1.309 1.00 0.00 C ATOM 1089 CE2 PHE A 74 2.454 -0.243 -1.006 1.00 0.00 C ATOM 1090 CZ PHE A 74 3.108 -1.459 -0.997 1.00 0.00 C ATOM 0 H PHE A 74 -1.200 -0.540 -4.669 1.00 0.00 H new ATOM 0 HA PHE A 74 -1.016 -3.078 -3.156 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.332 -0.225 -2.150 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -1.637 -1.636 -1.158 1.00 0.00 H new ATOM 0 HD1 PHE A 74 0.541 -3.453 -1.881 1.00 0.00 H new ATOM 0 HD2 PHE A 74 0.606 0.770 -1.336 1.00 0.00 H new ATOM 0 HE1 PHE A 74 2.925 -3.567 -1.299 1.00 0.00 H new ATOM 0 HE2 PHE A 74 2.991 0.661 -0.760 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.157 -1.507 -0.747 1.00 0.00 H new ATOM 1100 N MET A 75 -3.550 -2.966 -2.531 1.00 0.00 N ATOM 1101 CA MET A 75 -4.999 -3.140 -2.555 1.00 0.00 C ATOM 1102 C MET A 75 -5.589 -2.980 -1.158 1.00 0.00 C ATOM 1103 O MET A 75 -5.196 -3.681 -0.224 1.00 0.00 O ATOM 1104 CB MET A 75 -5.358 -4.516 -3.120 1.00 0.00 C ATOM 1105 CG MET A 75 -6.784 -4.944 -2.812 1.00 0.00 C ATOM 1106 SD MET A 75 -7.406 -6.174 -3.976 1.00 0.00 S ATOM 1107 CE MET A 75 -7.676 -5.159 -5.427 1.00 0.00 C ATOM 0 H MET A 75 -3.071 -3.510 -1.813 1.00 0.00 H new ATOM 0 HA MET A 75 -5.423 -2.369 -3.198 1.00 0.00 H new ATOM 0 HB2 MET A 75 -5.216 -4.505 -4.201 1.00 0.00 H new ATOM 0 HB3 MET A 75 -4.669 -5.257 -2.715 1.00 0.00 H new ATOM 0 HG2 MET A 75 -6.827 -5.351 -1.802 1.00 0.00 H new ATOM 0 HG3 MET A 75 -7.434 -4.069 -2.831 1.00 0.00 H new ATOM 0 HE1 MET A 75 -8.744 -5.100 -5.636 1.00 0.00 H new ATOM 0 HE2 MET A 75 -7.285 -4.157 -5.248 1.00 0.00 H new ATOM 0 HE3 MET A 75 -7.163 -5.601 -6.281 1.00 0.00 H new ATOM 1117 N ILE A 76 -6.531 -2.054 -1.021 1.00 0.00 N ATOM 1118 CA ILE A 76 -7.175 -1.803 0.262 1.00 0.00 C ATOM 1119 C ILE A 76 -8.526 -2.505 0.346 1.00 0.00 C ATOM 1120 O ILE A 76 -9.398 -2.303 -0.501 1.00 0.00 O ATOM 1121 CB ILE A 76 -7.377 -0.296 0.507 1.00 0.00 C ATOM 1122 CG1 ILE A 76 -7.651 -0.030 1.988 1.00 0.00 C ATOM 1123 CG2 ILE A 76 -8.516 0.232 -0.352 1.00 0.00 C ATOM 1124 CD1 ILE A 76 -6.395 0.159 2.810 1.00 0.00 C ATOM 0 H ILE A 76 -6.866 -1.465 -1.783 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.512 -2.202 1.030 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.464 0.229 0.227 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.273 0.860 2.080 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -8.223 -0.862 2.399 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -8.647 1.298 -0.168 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -8.282 0.072 -1.405 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -9.436 -0.295 -0.100 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -6.665 0.344 3.850 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -5.781 -0.740 2.748 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -5.833 1.010 2.425 1.00 0.00 H new ATOM 1136 N LEU A 77 -8.696 -3.330 1.373 1.00 0.00 N ATOM 1137 CA LEU A 77 -9.943 -4.062 1.569 1.00 0.00 C ATOM 1138 C LEU A 77 -10.623 -3.639 2.867 1.00 0.00 C ATOM 1139 O LEU A 77 -10.007 -3.639 3.932 1.00 0.00 O ATOM 1140 CB LEU A 77 -9.675 -5.568 1.589 1.00 0.00 C ATOM 1141 CG LEU A 77 -8.864 -6.121 0.416 1.00 0.00 C ATOM 1142 CD1 LEU A 77 -8.447 -7.558 0.686 1.00 0.00 C ATOM 1143 CD2 LEU A 77 -9.663 -6.030 -0.875 1.00 0.00 C ATOM 0 H LEU A 77 -7.986 -3.509 2.083 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.608 -3.828 0.738 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -9.151 -5.811 2.514 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -10.633 -6.087 1.619 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.963 -5.517 0.306 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.871 -7.935 -0.159 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.836 -7.596 1.588 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.335 -8.175 0.824 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -9.070 -6.428 -1.699 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -10.581 -6.609 -0.776 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -9.911 -4.988 -1.077 1.00 0.00 H new ATOM 1155 N GLU A 78 -11.900 -3.279 2.769 1.00 0.00 N ATOM 1156 CA GLU A 78 -12.665 -2.854 3.936 1.00 0.00 C ATOM 1157 C GLU A 78 -13.098 -4.057 4.769 1.00 0.00 C ATOM 1158 O GLU A 78 -12.908 -5.206 4.368 1.00 0.00 O ATOM 1159 CB GLU A 78 -13.893 -2.051 3.503 1.00 0.00 C ATOM 1160 CG GLU A 78 -13.561 -0.659 2.991 1.00 0.00 C ATOM 1161 CD GLU A 78 -13.273 -0.638 1.503 1.00 0.00 C ATOM 1162 OE1 GLU A 78 -14.239 -0.609 0.712 1.00 0.00 O ATOM 1163 OE2 GLU A 78 -12.082 -0.650 1.128 1.00 0.00 O ATOM 0 H GLU A 78 -12.425 -3.273 1.895 1.00 0.00 H new ATOM 0 HA GLU A 78 -12.024 -2.221 4.549 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -14.419 -2.600 2.722 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.577 -1.965 4.348 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -14.394 0.011 3.206 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -12.695 -0.275 3.530 1.00 0.00 H new ATOM 1170 N LYS A 79 -13.679 -3.784 5.932 1.00 0.00 N ATOM 1171 CA LYS A 79 -14.140 -4.842 6.824 1.00 0.00 C ATOM 1172 C LYS A 79 -15.220 -5.687 6.153 1.00 0.00 C ATOM 1173 O LYS A 79 -16.411 -5.415 6.294 1.00 0.00 O ATOM 1174 CB LYS A 79 -14.682 -4.242 8.123 1.00 0.00 C ATOM 1175 CG LYS A 79 -14.845 -5.257 9.241 1.00 0.00 C ATOM 1176 CD LYS A 79 -15.900 -4.820 10.242 1.00 0.00 C ATOM 1177 CE LYS A 79 -15.778 -5.585 11.551 1.00 0.00 C ATOM 1178 NZ LYS A 79 -16.460 -4.879 12.672 1.00 0.00 N ATOM 0 H LYS A 79 -13.842 -2.839 6.279 1.00 0.00 H new ATOM 0 HA LYS A 79 -13.290 -5.485 7.054 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -14.009 -3.452 8.457 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -15.647 -3.776 7.923 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -15.121 -6.223 8.819 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -13.892 -5.393 9.752 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -15.801 -3.752 10.433 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -16.892 -4.977 9.819 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -16.209 -6.579 11.432 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -14.724 -5.721 11.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -16.354 -5.432 13.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -16.032 -3.940 12.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -17.470 -4.771 12.451 1.00 0.00 H new ATOM 1192 N GLY A 80 -14.793 -6.715 5.426 1.00 0.00 N ATOM 1193 CA GLY A 80 -15.736 -7.584 4.746 1.00 0.00 C ATOM 1194 C GLY A 80 -15.431 -7.726 3.268 1.00 0.00 C ATOM 1195 O GLY A 80 -16.342 -7.858 2.450 1.00 0.00 O ATOM 0 H GLY A 80 -13.812 -6.961 5.296 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -15.720 -8.569 5.213 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.744 -7.189 4.870 1.00 0.00 H new ATOM 1199 N GLN A 81 -14.147 -7.699 2.925 1.00 0.00 N ATOM 1200 CA GLN A 81 -13.727 -7.824 1.534 1.00 0.00 C ATOM 1201 C GLN A 81 -12.437 -8.633 1.426 1.00 0.00 C ATOM 1202 O GLN A 81 -11.692 -8.765 2.396 1.00 0.00 O ATOM 1203 CB GLN A 81 -13.528 -6.440 0.913 1.00 0.00 C ATOM 1204 CG GLN A 81 -14.828 -5.691 0.667 1.00 0.00 C ATOM 1205 CD GLN A 81 -14.729 -4.716 -0.489 1.00 0.00 C ATOM 1206 OE1 GLN A 81 -15.308 -4.936 -1.553 1.00 0.00 O ATOM 1207 NE2 GLN A 81 -13.993 -3.629 -0.286 1.00 0.00 N ATOM 0 H GLN A 81 -13.381 -7.592 3.590 1.00 0.00 H new ATOM 0 HA GLN A 81 -14.511 -8.350 0.989 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -12.894 -5.844 1.569 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -12.996 -6.548 -0.032 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -15.624 -6.408 0.465 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -15.108 -5.150 1.571 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -13.530 -3.487 0.612 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -13.891 -2.937 -1.028 1.00 0.00 H new ATOM 1216 N LYS A 82 -12.182 -9.173 0.239 1.00 0.00 N ATOM 1217 CA LYS A 82 -10.983 -9.969 0.003 1.00 0.00 C ATOM 1218 C LYS A 82 -10.336 -9.595 -1.327 1.00 0.00 C ATOM 1219 O LYS A 82 -10.995 -9.063 -2.220 1.00 0.00 O ATOM 1220 CB LYS A 82 -11.326 -11.460 0.015 1.00 0.00 C ATOM 1221 CG LYS A 82 -12.352 -11.858 -1.032 1.00 0.00 C ATOM 1222 CD LYS A 82 -12.772 -13.310 -0.878 1.00 0.00 C ATOM 1223 CE LYS A 82 -13.931 -13.655 -1.802 1.00 0.00 C ATOM 1224 NZ LYS A 82 -14.019 -15.120 -2.056 1.00 0.00 N ATOM 0 H LYS A 82 -12.789 -9.074 -0.574 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.274 -9.760 0.804 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -10.414 -12.035 -0.145 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -11.703 -11.729 1.002 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -13.228 -11.214 -0.948 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -11.936 -11.702 -2.028 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -11.925 -13.960 -1.096 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -13.061 -13.499 0.156 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -14.864 -13.306 -1.360 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -13.810 -13.129 -2.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -14.820 -15.315 -2.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -13.138 -15.449 -2.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -14.160 -15.621 -1.155 1.00 0.00 H new ATOM 1238 N TRP A 83 -9.045 -9.880 -1.451 1.00 0.00 N ATOM 1239 CA TRP A 83 -8.310 -9.575 -2.674 1.00 0.00 C ATOM 1240 C TRP A 83 -8.609 -10.603 -3.760 1.00 0.00 C ATOM 1241 O TRP A 83 -8.964 -11.744 -3.466 1.00 0.00 O ATOM 1242 CB TRP A 83 -6.807 -9.535 -2.392 1.00 0.00 C ATOM 1243 CG TRP A 83 -5.968 -9.694 -3.625 1.00 0.00 C ATOM 1244 CD1 TRP A 83 -5.289 -8.712 -4.286 1.00 0.00 C ATOM 1245 CD2 TRP A 83 -5.722 -10.908 -4.342 1.00 0.00 C ATOM 1246 NE1 TRP A 83 -4.635 -9.242 -5.372 1.00 0.00 N ATOM 1247 CE2 TRP A 83 -4.884 -10.588 -5.428 1.00 0.00 C ATOM 1248 CE3 TRP A 83 -6.125 -12.236 -4.172 1.00 0.00 C ATOM 1249 CZ2 TRP A 83 -4.445 -11.546 -6.337 1.00 0.00 C ATOM 1250 CZ3 TRP A 83 -5.689 -13.186 -5.076 1.00 0.00 C ATOM 1251 CH2 TRP A 83 -4.855 -12.837 -6.147 1.00 0.00 C ATOM 0 H TRP A 83 -8.486 -10.321 -0.721 1.00 0.00 H new ATOM 0 HA TRP A 83 -8.633 -8.596 -3.029 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -6.559 -8.588 -1.912 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -6.556 -10.326 -1.685 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -5.269 -7.671 -3.998 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -4.058 -8.718 -6.030 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -6.766 -12.515 -3.349 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -3.803 -11.279 -7.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -5.996 -14.214 -4.955 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -4.530 -13.603 -6.836 1.00 0.00 H new