USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 552 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 25 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 10 CYS SG : rot 180:sc= 0.778 USER MOD Set 2.2: A 81 THR OG1 : rot -52:sc= 0.928 USER MOD Set 3.1: A 8 GLN : amide:sc= -0.162 K(o=-0.32,f=-1.6) USER MOD Set 3.2: A 83 GLN :FLIP amide:sc= -0.162 F(o=-1.4,f=-0.32) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.126 K(o=-0.13,f=-1.2) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 THR OG1 : rot 65:sc= 0.756 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -1.33 K(o=-1.3,f=-10!) USER MOD Single : A 58 THR OG1 : rot 73:sc= 0.188 USER MOD Single : A 65 HIS : no HE2:sc= -2.73 K(o=-2.7,f=-4.6!) USER MOD Single : A 70 LYS NZ :NH3+ 151:sc= -0.0692 (180deg=-0.46) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 82 N VAL A 7 9.202 9.729 -6.679 1.00 0.00 N ATOM 83 CA VAL A 7 8.971 8.526 -7.469 1.00 0.00 C ATOM 84 C VAL A 7 7.858 7.677 -6.867 1.00 0.00 C ATOM 85 O VAL A 7 7.892 7.337 -5.684 1.00 0.00 O ATOM 86 CB VAL A 7 10.249 7.674 -7.580 1.00 0.00 C ATOM 87 CG1 VAL A 7 10.048 6.533 -8.565 1.00 0.00 C ATOM 88 CG2 VAL A 7 11.433 8.538 -7.988 1.00 0.00 C ATOM 0 HA VAL A 7 8.674 8.854 -8.465 1.00 0.00 H new ATOM 0 HB VAL A 7 10.462 7.244 -6.601 1.00 0.00 H new ATOM 0 HG11 VAL A 7 10.962 5.943 -8.629 1.00 0.00 H new ATOM 0 HG12 VAL A 7 9.230 5.899 -8.225 1.00 0.00 H new ATOM 0 HG13 VAL A 7 9.808 6.939 -9.548 1.00 0.00 H new ATOM 0 HG21 VAL A 7 12.327 7.919 -8.061 1.00 0.00 H new ATOM 0 HG22 VAL A 7 11.231 8.999 -8.955 1.00 0.00 H new ATOM 0 HG23 VAL A 7 11.591 9.316 -7.241 1.00 0.00 H new ATOM 98 N GLN A 8 6.872 7.334 -7.691 1.00 0.00 N ATOM 99 CA GLN A 8 5.747 6.520 -7.242 1.00 0.00 C ATOM 100 C GLN A 8 5.597 5.278 -8.113 1.00 0.00 C ATOM 101 O GLN A 8 5.930 5.294 -9.298 1.00 0.00 O ATOM 102 CB GLN A 8 4.456 7.339 -7.273 1.00 0.00 C ATOM 103 CG GLN A 8 4.100 7.862 -8.655 1.00 0.00 C ATOM 104 CD GLN A 8 3.627 9.302 -8.631 1.00 0.00 C ATOM 105 OE1 GLN A 8 4.396 10.215 -8.326 1.00 0.00 O ATOM 106 NE2 GLN A 8 2.356 9.515 -8.951 1.00 0.00 N ATOM 0 H GLN A 8 6.829 7.607 -8.673 1.00 0.00 H new ATOM 0 HA GLN A 8 5.943 6.203 -6.218 1.00 0.00 H new ATOM 0 HB2 GLN A 8 3.636 6.723 -6.905 1.00 0.00 H new ATOM 0 HB3 GLN A 8 4.554 8.182 -6.589 1.00 0.00 H new ATOM 0 HG2 GLN A 8 4.971 7.781 -9.305 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.320 7.235 -9.087 1.00 0.00 H new ATOM 0 HE21 GLN A 8 1.754 8.730 -9.197 1.00 0.00 H new ATOM 0 HE22 GLN A 8 1.982 10.464 -8.950 1.00 0.00 H new ATOM 115 N ARG A 9 5.097 4.200 -7.518 1.00 0.00 N ATOM 116 CA ARG A 9 4.906 2.949 -8.242 1.00 0.00 C ATOM 117 C ARG A 9 3.584 2.292 -7.857 1.00 0.00 C ATOM 118 O ARG A 9 3.235 2.219 -6.680 1.00 0.00 O ATOM 119 CB ARG A 9 6.067 1.993 -7.964 1.00 0.00 C ATOM 120 CG ARG A 9 6.609 1.315 -9.214 1.00 0.00 C ATOM 121 CD ARG A 9 8.033 1.753 -9.518 1.00 0.00 C ATOM 122 NE ARG A 9 9.004 0.705 -9.215 1.00 0.00 N ATOM 123 CZ ARG A 9 9.162 -0.394 -9.948 1.00 0.00 C ATOM 124 NH1 ARG A 9 8.414 -0.593 -11.028 1.00 0.00 N ATOM 125 NH2 ARG A 9 10.068 -1.298 -9.602 1.00 0.00 N ATOM 0 H ARG A 9 4.817 4.168 -6.538 1.00 0.00 H new ATOM 0 HA ARG A 9 4.879 3.175 -9.308 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.874 2.545 -7.481 1.00 0.00 H new ATOM 0 HB3 ARG A 9 5.737 1.229 -7.260 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.581 0.233 -9.083 1.00 0.00 H new ATOM 0 HG3 ARG A 9 5.967 1.550 -10.063 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.111 2.027 -10.570 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.270 2.645 -8.938 1.00 0.00 H new ATOM 0 HE ARG A 9 9.596 0.823 -8.393 1.00 0.00 H new ATOM 0 HH11 ARG A 9 7.715 0.099 -11.299 1.00 0.00 H new ATOM 0 HH12 ARG A 9 8.539 -1.437 -11.587 1.00 0.00 H new ATOM 0 HH21 ARG A 9 10.644 -1.151 -8.773 1.00 0.00 H new ATOM 0 HH22 ARG A 9 10.189 -2.140 -10.164 1.00 0.00 H new ATOM 139 N CYS A 10 2.855 1.812 -8.860 1.00 0.00 N ATOM 140 CA CYS A 10 1.572 1.158 -8.628 1.00 0.00 C ATOM 141 C CYS A 10 1.769 -0.316 -8.287 1.00 0.00 C ATOM 142 O CYS A 10 2.509 -1.028 -8.967 1.00 0.00 O ATOM 143 CB CYS A 10 0.678 1.292 -9.861 1.00 0.00 C ATOM 144 SG CYS A 10 -1.090 1.373 -9.484 1.00 0.00 S ATOM 0 H CYS A 10 3.131 1.864 -9.841 1.00 0.00 H new ATOM 0 HA CYS A 10 1.089 1.648 -7.783 1.00 0.00 H new ATOM 0 HB2 CYS A 10 0.964 2.190 -10.408 1.00 0.00 H new ATOM 0 HB3 CYS A 10 0.859 0.445 -10.522 1.00 0.00 H new ATOM 0 HG CYS A 10 -1.765 1.488 -10.589 1.00 0.00 H new ATOM 150 N VAL A 11 1.106 -0.766 -7.228 1.00 0.00 N ATOM 151 CA VAL A 11 1.208 -2.156 -6.796 1.00 0.00 C ATOM 152 C VAL A 11 -0.164 -2.730 -6.462 1.00 0.00 C ATOM 153 O VAL A 11 -0.826 -2.280 -5.528 1.00 0.00 O ATOM 154 CB VAL A 11 2.124 -2.294 -5.565 1.00 0.00 C ATOM 155 CG1 VAL A 11 3.585 -2.173 -5.969 1.00 0.00 C ATOM 156 CG2 VAL A 11 1.767 -1.255 -4.512 1.00 0.00 C ATOM 0 H VAL A 11 0.492 -0.189 -6.653 1.00 0.00 H new ATOM 0 HA VAL A 11 1.640 -2.715 -7.626 1.00 0.00 H new ATOM 0 HB VAL A 11 1.971 -3.283 -5.132 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.216 -2.273 -5.086 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.832 -2.959 -6.682 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.756 -1.200 -6.429 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.425 -1.369 -3.651 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.887 -0.256 -4.931 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.732 -1.395 -4.199 1.00 0.00 H new ATOM 166 N ILE A 12 -0.582 -3.730 -7.231 1.00 0.00 N ATOM 167 CA ILE A 12 -1.877 -4.368 -7.018 1.00 0.00 C ATOM 168 C ILE A 12 -1.766 -5.510 -6.014 1.00 0.00 C ATOM 169 O ILE A 12 -1.039 -6.478 -6.238 1.00 0.00 O ATOM 170 CB ILE A 12 -2.462 -4.911 -8.336 1.00 0.00 C ATOM 171 CG1 ILE A 12 -2.433 -3.830 -9.420 1.00 0.00 C ATOM 172 CG2 ILE A 12 -3.881 -5.413 -8.119 1.00 0.00 C ATOM 173 CD1 ILE A 12 -1.929 -4.328 -10.757 1.00 0.00 C ATOM 0 H ILE A 12 -0.044 -4.116 -8.007 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.546 -3.603 -6.623 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.848 -5.748 -8.669 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.438 -3.427 -9.547 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.800 -3.008 -9.085 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.280 -5.793 -9.059 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.875 -6.212 -7.378 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -4.506 -4.594 -7.764 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.936 -3.509 -11.476 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.912 -4.704 -10.645 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.576 -5.130 -11.114 1.00 0.00 H new ATOM 185 N ILE A 13 -2.491 -5.390 -4.908 1.00 0.00 N ATOM 186 CA ILE A 13 -2.474 -6.413 -3.868 1.00 0.00 C ATOM 187 C ILE A 13 -3.543 -7.470 -4.121 1.00 0.00 C ATOM 188 O ILE A 13 -4.686 -7.148 -4.450 1.00 0.00 O ATOM 189 CB ILE A 13 -2.694 -5.800 -2.471 1.00 0.00 C ATOM 190 CG1 ILE A 13 -1.744 -4.621 -2.249 1.00 0.00 C ATOM 191 CG2 ILE A 13 -2.499 -6.856 -1.392 1.00 0.00 C ATOM 192 CD1 ILE A 13 -2.410 -3.421 -1.612 1.00 0.00 C ATOM 0 H ILE A 13 -3.098 -4.595 -4.708 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.489 -6.880 -3.900 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.718 -5.431 -2.411 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.917 -4.945 -1.618 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.317 -4.324 -3.207 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.658 -6.408 -0.411 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.214 -7.665 -1.541 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.485 -7.253 -1.450 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.678 -2.624 -1.484 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.219 -3.071 -2.253 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.813 -3.702 -0.639 1.00 0.00 H new ATOM 204 N GLN A 14 -3.167 -8.736 -3.965 1.00 0.00 N ATOM 205 CA GLN A 14 -4.094 -9.842 -4.175 1.00 0.00 C ATOM 206 C GLN A 14 -4.382 -10.567 -2.865 1.00 0.00 C ATOM 207 O GLN A 14 -3.470 -11.073 -2.209 1.00 0.00 O ATOM 208 CB GLN A 14 -3.523 -10.826 -5.199 1.00 0.00 C ATOM 209 CG GLN A 14 -3.003 -10.156 -6.461 1.00 0.00 C ATOM 210 CD GLN A 14 -1.668 -10.717 -6.910 1.00 0.00 C ATOM 211 OE1 GLN A 14 -1.605 -11.559 -7.806 1.00 0.00 O ATOM 212 NE2 GLN A 14 -0.591 -10.250 -6.289 1.00 0.00 N ATOM 0 H GLN A 14 -2.226 -9.021 -3.694 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.029 -9.431 -4.556 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -2.713 -11.390 -4.736 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -4.296 -11.544 -5.471 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -3.733 -10.280 -7.261 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -2.902 -9.085 -6.285 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -0.690 -9.552 -5.552 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.335 -10.589 -6.549 1.00 0.00 H new ATOM 221 N LYS A 15 -5.655 -10.613 -2.487 1.00 0.00 N ATOM 222 CA LYS A 15 -6.063 -11.275 -1.253 1.00 0.00 C ATOM 223 C LYS A 15 -5.962 -12.791 -1.391 1.00 0.00 C ATOM 224 O LYS A 15 -6.209 -13.345 -2.462 1.00 0.00 O ATOM 225 CB LYS A 15 -7.495 -10.880 -0.885 1.00 0.00 C ATOM 226 CG LYS A 15 -7.852 -11.168 0.563 1.00 0.00 C ATOM 227 CD LYS A 15 -9.341 -10.990 0.815 1.00 0.00 C ATOM 228 CE LYS A 15 -9.737 -9.522 0.808 1.00 0.00 C ATOM 229 NZ LYS A 15 -10.698 -9.201 1.899 1.00 0.00 N ATOM 0 H LYS A 15 -6.422 -10.200 -3.017 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.390 -10.953 -0.458 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.631 -9.816 -1.079 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.189 -11.414 -1.535 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.558 -12.187 0.816 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.289 -10.502 1.217 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -9.906 -11.524 0.051 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.604 -11.434 1.775 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.845 -8.905 0.917 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.183 -9.271 -0.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.943 -8.191 1.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -11.560 -9.771 1.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.263 -9.416 2.819 1.00 0.00 H new ATOM 243 N ASP A 16 -5.596 -13.454 -0.299 1.00 0.00 N ATOM 244 CA ASP A 16 -5.461 -14.907 -0.297 1.00 0.00 C ATOM 245 C ASP A 16 -6.290 -15.527 0.824 1.00 0.00 C ATOM 246 O ASP A 16 -7.118 -14.856 1.441 1.00 0.00 O ATOM 247 CB ASP A 16 -3.991 -15.302 -0.140 1.00 0.00 C ATOM 248 CG ASP A 16 -3.081 -14.531 -1.076 1.00 0.00 C ATOM 249 OD1 ASP A 16 -3.436 -14.388 -2.265 1.00 0.00 O ATOM 250 OD2 ASP A 16 -2.013 -14.071 -0.620 1.00 0.00 O ATOM 0 H ASP A 16 -5.388 -13.009 0.595 1.00 0.00 H new ATOM 0 HA ASP A 16 -5.831 -15.285 -1.250 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.679 -15.128 0.890 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.882 -16.370 -0.330 1.00 0.00 H new ATOM 255 N ASP A 17 -6.064 -16.812 1.081 1.00 0.00 N ATOM 256 CA ASP A 17 -6.790 -17.522 2.128 1.00 0.00 C ATOM 257 C ASP A 17 -6.601 -16.844 3.481 1.00 0.00 C ATOM 258 O ASP A 17 -7.485 -16.888 4.337 1.00 0.00 O ATOM 259 CB ASP A 17 -6.322 -18.977 2.204 1.00 0.00 C ATOM 260 CG ASP A 17 -7.391 -19.900 2.752 1.00 0.00 C ATOM 261 OD1 ASP A 17 -7.932 -19.604 3.838 1.00 0.00 O ATOM 262 OD2 ASP A 17 -7.688 -20.920 2.095 1.00 0.00 O ATOM 0 H ASP A 17 -5.384 -17.382 0.578 1.00 0.00 H new ATOM 0 HA ASP A 17 -7.851 -17.500 1.878 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -6.030 -19.314 1.209 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -5.435 -19.038 2.835 1.00 0.00 H new ATOM 267 N ASN A 18 -5.445 -16.216 3.667 1.00 0.00 N ATOM 268 CA ASN A 18 -5.140 -15.528 4.915 1.00 0.00 C ATOM 269 C ASN A 18 -5.648 -14.090 4.882 1.00 0.00 C ATOM 270 O ASN A 18 -6.045 -13.537 5.907 1.00 0.00 O ATOM 271 CB ASN A 18 -3.632 -15.544 5.178 1.00 0.00 C ATOM 272 CG ASN A 18 -3.167 -16.849 5.790 1.00 0.00 C ATOM 273 OD1 ASN A 18 -2.760 -17.770 5.081 1.00 0.00 O ATOM 274 ND2 ASN A 18 -3.222 -16.936 7.114 1.00 0.00 N ATOM 0 H ASN A 18 -4.703 -16.170 2.968 1.00 0.00 H new ATOM 0 HA ASN A 18 -5.647 -16.055 5.723 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -3.101 -15.375 4.241 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -3.373 -14.721 5.844 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -2.920 -17.791 7.582 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -3.566 -16.148 7.663 1.00 0.00 H new ATOM 281 N GLY A 19 -5.631 -13.490 3.695 1.00 0.00 N ATOM 282 CA GLY A 19 -6.092 -12.121 3.549 1.00 0.00 C ATOM 283 C GLY A 19 -4.949 -11.132 3.452 1.00 0.00 C ATOM 284 O GLY A 19 -3.782 -11.520 3.420 1.00 0.00 O ATOM 0 H GLY A 19 -5.306 -13.927 2.833 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -6.712 -12.043 2.656 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -6.723 -11.861 4.399 1.00 0.00 H new ATOM 288 N PHE A 20 -5.284 -9.845 3.405 1.00 0.00 N ATOM 289 CA PHE A 20 -4.278 -8.795 3.311 1.00 0.00 C ATOM 290 C PHE A 20 -3.371 -8.799 4.538 1.00 0.00 C ATOM 291 O PHE A 20 -3.760 -8.340 5.612 1.00 0.00 O ATOM 292 CB PHE A 20 -4.949 -7.428 3.164 1.00 0.00 C ATOM 293 CG PHE A 20 -5.717 -7.270 1.884 1.00 0.00 C ATOM 294 CD1 PHE A 20 -5.143 -7.613 0.670 1.00 0.00 C ATOM 295 CD2 PHE A 20 -7.011 -6.776 1.892 1.00 0.00 C ATOM 296 CE1 PHE A 20 -5.846 -7.469 -0.511 1.00 0.00 C ATOM 297 CE2 PHE A 20 -7.720 -6.630 0.716 1.00 0.00 C ATOM 298 CZ PHE A 20 -7.136 -6.975 -0.488 1.00 0.00 C ATOM 0 H PHE A 20 -6.246 -9.506 3.431 1.00 0.00 H new ATOM 0 HA PHE A 20 -3.668 -8.989 2.429 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.625 -7.272 4.005 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -4.187 -6.651 3.219 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.134 -7.997 0.647 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.471 -6.502 2.830 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.388 -7.742 -1.450 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -8.729 -6.247 0.737 1.00 0.00 H new ATOM 0 HZ PHE A 20 -7.687 -6.859 -1.409 1.00 0.00 H new ATOM 308 N GLY A 21 -2.159 -9.321 4.369 1.00 0.00 N ATOM 309 CA GLY A 21 -1.215 -9.373 5.470 1.00 0.00 C ATOM 310 C GLY A 21 -0.706 -8.002 5.866 1.00 0.00 C ATOM 311 O GLY A 21 -0.522 -7.718 7.049 1.00 0.00 O ATOM 0 H GLY A 21 -1.815 -9.708 3.490 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.692 -9.842 6.331 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.371 -10.003 5.190 1.00 0.00 H new ATOM 315 N LEU A 22 -0.480 -7.148 4.872 1.00 0.00 N ATOM 316 CA LEU A 22 0.011 -5.797 5.121 1.00 0.00 C ATOM 317 C LEU A 22 -0.957 -5.020 6.008 1.00 0.00 C ATOM 318 O LEU A 22 -2.167 -5.036 5.784 1.00 0.00 O ATOM 319 CB LEU A 22 0.216 -5.056 3.798 1.00 0.00 C ATOM 320 CG LEU A 22 -1.003 -5.027 2.877 1.00 0.00 C ATOM 321 CD1 LEU A 22 -1.826 -3.771 3.117 1.00 0.00 C ATOM 322 CD2 LEU A 22 -0.572 -5.112 1.419 1.00 0.00 C ATOM 0 H LEU A 22 -0.629 -7.368 3.887 1.00 0.00 H new ATOM 0 HA LEU A 22 0.967 -5.874 5.639 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.512 -4.030 4.016 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.045 -5.520 3.264 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.625 -5.893 3.104 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.689 -3.769 2.452 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.166 -3.751 4.152 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.214 -2.891 2.919 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.453 -5.090 0.777 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.072 -4.266 1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.026 -6.041 1.254 1.00 0.00 H new ATOM 334 N THR A 23 -0.415 -4.342 7.014 1.00 0.00 N ATOM 335 CA THR A 23 -1.231 -3.559 7.934 1.00 0.00 C ATOM 336 C THR A 23 -1.165 -2.074 7.592 1.00 0.00 C ATOM 337 O THR A 23 -0.082 -1.510 7.442 1.00 0.00 O ATOM 338 CB THR A 23 -0.768 -3.783 9.375 1.00 0.00 C ATOM 339 OG1 THR A 23 -0.412 -5.139 9.582 1.00 0.00 O ATOM 340 CG2 THR A 23 -1.818 -3.424 10.404 1.00 0.00 C ATOM 0 H THR A 23 0.585 -4.319 7.213 1.00 0.00 H new ATOM 0 HA THR A 23 -2.265 -3.890 7.835 1.00 0.00 H new ATOM 0 HB THR A 23 0.089 -3.123 9.508 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.117 -5.262 10.508 1.00 0.00 H new ATOM 0 HG21 THR A 23 -1.425 -3.607 11.404 1.00 0.00 H new ATOM 0 HG22 THR A 23 -2.080 -2.371 10.304 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.706 -4.036 10.246 1.00 0.00 H new ATOM 348 N VAL A 24 -2.332 -1.448 7.471 1.00 0.00 N ATOM 349 CA VAL A 24 -2.408 -0.029 7.147 1.00 0.00 C ATOM 350 C VAL A 24 -3.064 0.758 8.276 1.00 0.00 C ATOM 351 O VAL A 24 -4.015 0.290 8.903 1.00 0.00 O ATOM 352 CB VAL A 24 -3.194 0.208 5.842 1.00 0.00 C ATOM 353 CG1 VAL A 24 -4.626 -0.288 5.979 1.00 0.00 C ATOM 354 CG2 VAL A 24 -3.165 1.679 5.457 1.00 0.00 C ATOM 0 H VAL A 24 -3.237 -1.902 7.593 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.384 0.321 7.013 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.714 -0.360 5.046 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -5.163 -0.111 5.047 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -4.622 -1.356 6.198 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -5.120 0.247 6.790 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.725 1.824 4.533 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.616 2.272 6.252 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.133 1.996 5.309 1.00 0.00 H new ATOM 364 N SER A 25 -2.551 1.958 8.531 1.00 0.00 N ATOM 365 CA SER A 25 -3.091 2.811 9.583 1.00 0.00 C ATOM 366 C SER A 25 -2.918 4.285 9.230 1.00 0.00 C ATOM 367 O SER A 25 -1.836 4.715 8.829 1.00 0.00 O ATOM 368 CB SER A 25 -2.401 2.510 10.915 1.00 0.00 C ATOM 369 OG SER A 25 -2.644 1.174 11.325 1.00 0.00 O ATOM 0 H SER A 25 -1.763 2.361 8.024 1.00 0.00 H new ATOM 0 HA SER A 25 -4.156 2.601 9.677 1.00 0.00 H new ATOM 0 HB2 SER A 25 -1.328 2.674 10.818 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.761 3.199 11.679 1.00 0.00 H new ATOM 0 HG SER A 25 -2.191 1.006 12.178 1.00 0.00 H new ATOM 375 N GLY A 26 -3.992 5.053 9.382 1.00 0.00 N ATOM 376 CA GLY A 26 -3.939 6.470 9.075 1.00 0.00 C ATOM 377 C GLY A 26 -5.305 7.126 9.137 1.00 0.00 C ATOM 378 O GLY A 26 -6.214 6.750 8.400 1.00 0.00 O ATOM 0 H GLY A 26 -4.898 4.719 9.712 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.268 6.966 9.777 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.517 6.608 8.079 1.00 0.00 H new ATOM 382 N ASP A 27 -5.448 8.108 10.021 1.00 0.00 N ATOM 383 CA ASP A 27 -6.713 8.817 10.175 1.00 0.00 C ATOM 384 C ASP A 27 -7.132 9.475 8.863 1.00 0.00 C ATOM 385 O ASP A 27 -8.044 9.001 8.185 1.00 0.00 O ATOM 386 CB ASP A 27 -6.600 9.871 11.279 1.00 0.00 C ATOM 387 CG ASP A 27 -7.904 10.612 11.509 1.00 0.00 C ATOM 388 OD1 ASP A 27 -8.913 9.951 11.833 1.00 0.00 O ATOM 389 OD2 ASP A 27 -7.915 11.854 11.365 1.00 0.00 O ATOM 0 H ASP A 27 -4.705 8.431 10.641 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.477 8.091 10.454 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.291 9.389 12.207 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.821 10.586 11.016 1.00 0.00 H new ATOM 394 N ASN A 28 -6.460 10.566 8.509 1.00 0.00 N ATOM 395 CA ASN A 28 -6.765 11.283 7.276 1.00 0.00 C ATOM 396 C ASN A 28 -6.131 10.591 6.071 1.00 0.00 C ATOM 397 O ASN A 28 -6.831 10.149 5.160 1.00 0.00 O ATOM 398 CB ASN A 28 -6.278 12.733 7.371 1.00 0.00 C ATOM 399 CG ASN A 28 -7.419 13.730 7.313 1.00 0.00 C ATOM 400 OD1 ASN A 28 -8.544 13.429 7.710 1.00 0.00 O ATOM 401 ND2 ASN A 28 -7.131 14.928 6.815 1.00 0.00 N ATOM 0 H ASN A 28 -5.702 10.972 9.057 1.00 0.00 H new ATOM 0 HA ASN A 28 -7.846 11.281 7.140 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -5.728 12.868 8.302 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -5.582 12.934 6.557 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -7.857 15.641 6.750 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -6.184 15.134 6.498 1.00 0.00 H new ATOM 408 N PRO A 29 -4.789 10.490 6.047 1.00 0.00 N ATOM 409 CA PRO A 29 -4.068 9.848 4.944 1.00 0.00 C ATOM 410 C PRO A 29 -4.154 8.327 5.006 1.00 0.00 C ATOM 411 O PRO A 29 -4.942 7.769 5.770 1.00 0.00 O ATOM 412 CB PRO A 29 -2.628 10.311 5.157 1.00 0.00 C ATOM 413 CG PRO A 29 -2.517 10.518 6.629 1.00 0.00 C ATOM 414 CD PRO A 29 -3.872 10.990 7.090 1.00 0.00 C ATOM 0 HA PRO A 29 -4.480 10.116 3.971 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -1.915 9.565 4.806 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -2.422 11.231 4.610 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.235 9.593 7.132 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.748 11.255 6.862 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -4.124 10.588 8.071 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -3.912 12.076 7.171 1.00 0.00 H new ATOM 422 N VAL A 30 -3.338 7.660 4.195 1.00 0.00 N ATOM 423 CA VAL A 30 -3.323 6.202 4.159 1.00 0.00 C ATOM 424 C VAL A 30 -1.942 5.678 3.779 1.00 0.00 C ATOM 425 O VAL A 30 -1.576 5.659 2.604 1.00 0.00 O ATOM 426 CB VAL A 30 -4.359 5.650 3.161 1.00 0.00 C ATOM 427 CG1 VAL A 30 -4.568 4.158 3.380 1.00 0.00 C ATOM 428 CG2 VAL A 30 -5.676 6.402 3.282 1.00 0.00 C ATOM 0 H VAL A 30 -2.680 8.105 3.555 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.579 5.860 5.162 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.976 5.798 2.151 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.303 3.785 2.667 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.624 3.633 3.236 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.928 3.986 4.395 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.393 5.996 2.569 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.067 6.290 4.293 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.512 7.459 3.071 1.00 0.00 H new ATOM 438 N PHE A 31 -1.179 5.257 4.781 1.00 0.00 N ATOM 439 CA PHE A 31 0.164 4.734 4.553 1.00 0.00 C ATOM 440 C PHE A 31 0.302 3.324 5.118 1.00 0.00 C ATOM 441 O PHE A 31 -0.269 3.005 6.161 1.00 0.00 O ATOM 442 CB PHE A 31 1.207 5.655 5.186 1.00 0.00 C ATOM 443 CG PHE A 31 0.879 6.054 6.597 1.00 0.00 C ATOM 444 CD1 PHE A 31 -0.104 6.998 6.852 1.00 0.00 C ATOM 445 CD2 PHE A 31 1.552 5.486 7.666 1.00 0.00 C ATOM 446 CE1 PHE A 31 -0.408 7.368 8.149 1.00 0.00 C ATOM 447 CE2 PHE A 31 1.251 5.851 8.964 1.00 0.00 C ATOM 448 CZ PHE A 31 0.270 6.793 9.206 1.00 0.00 C ATOM 0 H PHE A 31 -1.467 5.267 5.759 1.00 0.00 H new ATOM 0 HA PHE A 31 0.333 4.692 3.477 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.176 5.155 5.174 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.304 6.553 4.576 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.638 7.449 6.029 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.321 4.750 7.483 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.175 8.106 8.335 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.782 5.400 9.789 1.00 0.00 H new ATOM 0 HZ PHE A 31 0.034 7.079 10.220 1.00 0.00 H new ATOM 458 N VAL A 32 1.065 2.485 4.424 1.00 0.00 N ATOM 459 CA VAL A 32 1.277 1.111 4.857 1.00 0.00 C ATOM 460 C VAL A 32 2.336 1.040 5.953 1.00 0.00 C ATOM 461 O VAL A 32 3.464 1.496 5.772 1.00 0.00 O ATOM 462 CB VAL A 32 1.711 0.212 3.682 1.00 0.00 C ATOM 463 CG1 VAL A 32 1.739 -1.247 4.108 1.00 0.00 C ATOM 464 CG2 VAL A 32 0.789 0.410 2.490 1.00 0.00 C ATOM 0 H VAL A 32 1.546 2.734 3.560 1.00 0.00 H new ATOM 0 HA VAL A 32 0.325 0.751 5.248 1.00 0.00 H new ATOM 0 HB VAL A 32 2.719 0.498 3.383 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.047 -1.866 3.266 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.445 -1.373 4.929 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.744 -1.550 4.436 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.111 -0.233 1.670 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.232 0.153 2.773 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.826 1.451 2.170 1.00 0.00 H new ATOM 474 N GLN A 33 1.962 0.465 7.092 1.00 0.00 N ATOM 475 CA GLN A 33 2.879 0.336 8.219 1.00 0.00 C ATOM 476 C GLN A 33 3.716 -0.932 8.096 1.00 0.00 C ATOM 477 O GLN A 33 4.938 -0.897 8.247 1.00 0.00 O ATOM 478 CB GLN A 33 2.099 0.324 9.536 1.00 0.00 C ATOM 479 CG GLN A 33 2.017 1.684 10.207 1.00 0.00 C ATOM 480 CD GLN A 33 1.741 1.586 11.694 1.00 0.00 C ATOM 481 OE1 GLN A 33 2.597 1.907 12.519 1.00 0.00 O ATOM 482 NE2 GLN A 33 0.540 1.138 12.044 1.00 0.00 N ATOM 0 H GLN A 33 1.032 0.082 7.259 1.00 0.00 H new ATOM 0 HA GLN A 33 3.552 1.194 8.211 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.089 -0.040 9.347 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.569 -0.382 10.221 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.953 2.219 10.050 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.231 2.272 9.733 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.138 0.883 11.326 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.297 1.049 13.030 1.00 0.00 H new ATOM 491 N SER A 34 3.053 -2.051 7.824 1.00 0.00 N ATOM 492 CA SER A 34 3.740 -3.330 7.682 1.00 0.00 C ATOM 493 C SER A 34 3.319 -4.036 6.397 1.00 0.00 C ATOM 494 O SER A 34 2.234 -3.787 5.867 1.00 0.00 O ATOM 495 CB SER A 34 3.448 -4.226 8.888 1.00 0.00 C ATOM 496 OG SER A 34 4.401 -4.021 9.917 1.00 0.00 O ATOM 0 H SER A 34 2.042 -2.098 7.698 1.00 0.00 H new ATOM 0 HA SER A 34 4.811 -3.134 7.633 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.448 -4.017 9.267 1.00 0.00 H new ATOM 0 HB3 SER A 34 3.460 -5.271 8.580 1.00 0.00 H new ATOM 0 HG SER A 34 4.192 -4.603 10.677 1.00 0.00 H new ATOM 502 N VAL A 35 4.183 -4.915 5.902 1.00 0.00 N ATOM 503 CA VAL A 35 3.901 -5.657 4.678 1.00 0.00 C ATOM 504 C VAL A 35 4.282 -7.126 4.825 1.00 0.00 C ATOM 505 O VAL A 35 5.334 -7.452 5.377 1.00 0.00 O ATOM 506 CB VAL A 35 4.651 -5.061 3.473 1.00 0.00 C ATOM 507 CG1 VAL A 35 4.117 -3.677 3.141 1.00 0.00 C ATOM 508 CG2 VAL A 35 6.147 -5.013 3.748 1.00 0.00 C ATOM 0 H VAL A 35 5.084 -5.131 6.329 1.00 0.00 H new ATOM 0 HA VAL A 35 2.828 -5.579 4.502 1.00 0.00 H new ATOM 0 HB VAL A 35 4.483 -5.704 2.609 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.660 -3.273 2.287 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.057 -3.745 2.898 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.251 -3.020 4.000 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.662 -4.589 2.886 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.336 -4.393 4.625 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.516 -6.022 3.931 1.00 0.00 H new ATOM 518 N LYS A 36 3.421 -8.009 4.328 1.00 0.00 N ATOM 519 CA LYS A 36 3.668 -9.444 4.404 1.00 0.00 C ATOM 520 C LYS A 36 4.919 -9.825 3.621 1.00 0.00 C ATOM 521 O LYS A 36 4.955 -9.714 2.395 1.00 0.00 O ATOM 522 CB LYS A 36 2.462 -10.218 3.869 1.00 0.00 C ATOM 523 CG LYS A 36 2.504 -11.704 4.185 1.00 0.00 C ATOM 524 CD LYS A 36 1.841 -12.007 5.520 1.00 0.00 C ATOM 525 CE LYS A 36 2.729 -11.603 6.685 1.00 0.00 C ATOM 526 NZ LYS A 36 2.379 -12.338 7.931 1.00 0.00 N ATOM 0 H LYS A 36 2.546 -7.755 3.869 1.00 0.00 H new ATOM 0 HA LYS A 36 3.825 -9.705 5.451 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.551 -9.791 4.289 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.406 -10.086 2.788 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.002 -12.260 3.393 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.539 -12.044 4.206 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.891 -11.477 5.584 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.617 -13.072 5.583 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.771 -11.795 6.431 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.636 -10.531 6.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.008 -12.034 8.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.392 -12.135 8.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.492 -13.360 7.775 1.00 0.00 H new ATOM 540 N GLU A 37 5.946 -10.274 4.337 1.00 0.00 N ATOM 541 CA GLU A 37 7.200 -10.673 3.709 1.00 0.00 C ATOM 542 C GLU A 37 7.026 -11.972 2.929 1.00 0.00 C ATOM 543 O GLU A 37 6.415 -12.923 3.415 1.00 0.00 O ATOM 544 CB GLU A 37 8.293 -10.842 4.766 1.00 0.00 C ATOM 545 CG GLU A 37 9.091 -9.573 5.025 1.00 0.00 C ATOM 546 CD GLU A 37 10.538 -9.693 4.592 1.00 0.00 C ATOM 547 OE1 GLU A 37 10.785 -9.830 3.375 1.00 0.00 O ATOM 548 OE2 GLU A 37 11.426 -9.650 5.470 1.00 0.00 O ATOM 0 H GLU A 37 5.934 -10.370 5.352 1.00 0.00 H new ATOM 0 HA GLU A 37 7.496 -9.888 3.013 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.836 -11.171 5.699 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.974 -11.631 4.449 1.00 0.00 H new ATOM 0 HG2 GLU A 37 8.625 -8.742 4.496 1.00 0.00 H new ATOM 0 HG3 GLU A 37 9.053 -9.335 6.088 1.00 0.00 H new ATOM 555 N ASP A 38 7.565 -12.004 1.714 1.00 0.00 N ATOM 556 CA ASP A 38 7.468 -13.187 0.866 1.00 0.00 C ATOM 557 C ASP A 38 6.009 -13.556 0.613 1.00 0.00 C ATOM 558 O ASP A 38 5.682 -14.723 0.398 1.00 0.00 O ATOM 559 CB ASP A 38 8.200 -14.366 1.511 1.00 0.00 C ATOM 560 CG ASP A 38 8.965 -15.195 0.499 1.00 0.00 C ATOM 561 OD1 ASP A 38 8.334 -15.702 -0.451 1.00 0.00 O ATOM 562 OD2 ASP A 38 10.195 -15.335 0.655 1.00 0.00 O ATOM 0 H ASP A 38 8.073 -11.225 1.295 1.00 0.00 H new ATOM 0 HA ASP A 38 7.938 -12.957 -0.090 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.891 -13.992 2.267 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.478 -15.001 2.025 1.00 0.00 H new ATOM 567 N GLY A 39 5.136 -12.553 0.638 1.00 0.00 N ATOM 568 CA GLY A 39 3.723 -12.791 0.408 1.00 0.00 C ATOM 569 C GLY A 39 3.145 -11.867 -0.645 1.00 0.00 C ATOM 570 O GLY A 39 3.881 -11.269 -1.429 1.00 0.00 O ATOM 0 H GLY A 39 5.383 -11.579 0.814 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.577 -13.826 0.099 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.178 -12.658 1.343 1.00 0.00 H new ATOM 574 N ALA A 40 1.821 -11.750 -0.664 1.00 0.00 N ATOM 575 CA ALA A 40 1.143 -10.892 -1.630 1.00 0.00 C ATOM 576 C ALA A 40 1.625 -9.449 -1.516 1.00 0.00 C ATOM 577 O ALA A 40 1.685 -8.724 -2.510 1.00 0.00 O ATOM 578 CB ALA A 40 -0.363 -10.964 -1.433 1.00 0.00 C ATOM 0 H ALA A 40 1.196 -12.238 -0.022 1.00 0.00 H new ATOM 0 HA ALA A 40 1.385 -11.251 -2.630 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.856 -10.319 -2.160 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.699 -11.991 -1.572 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.614 -10.633 -0.425 1.00 0.00 H new ATOM 584 N ALA A 41 1.967 -9.039 -0.300 1.00 0.00 N ATOM 585 CA ALA A 41 2.444 -7.682 -0.057 1.00 0.00 C ATOM 586 C ALA A 41 3.844 -7.479 -0.626 1.00 0.00 C ATOM 587 O ALA A 41 4.111 -6.486 -1.304 1.00 0.00 O ATOM 588 CB ALA A 41 2.428 -7.377 1.432 1.00 0.00 C ATOM 0 H ALA A 41 1.923 -9.626 0.533 1.00 0.00 H new ATOM 0 HA ALA A 41 1.772 -6.991 -0.566 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.786 -6.361 1.599 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.410 -7.470 1.812 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.076 -8.081 1.955 1.00 0.00 H new ATOM 594 N MET A 42 4.737 -8.422 -0.343 1.00 0.00 N ATOM 595 CA MET A 42 6.110 -8.342 -0.826 1.00 0.00 C ATOM 596 C MET A 42 6.186 -8.659 -2.317 1.00 0.00 C ATOM 597 O MET A 42 6.999 -8.087 -3.042 1.00 0.00 O ATOM 598 CB MET A 42 7.007 -9.300 -0.037 1.00 0.00 C ATOM 599 CG MET A 42 8.133 -8.603 0.707 1.00 0.00 C ATOM 600 SD MET A 42 9.445 -8.036 -0.393 1.00 0.00 S ATOM 601 CE MET A 42 9.704 -6.373 0.220 1.00 0.00 C ATOM 0 H MET A 42 4.534 -9.250 0.218 1.00 0.00 H new ATOM 0 HA MET A 42 6.462 -7.321 -0.676 1.00 0.00 H new ATOM 0 HB2 MET A 42 6.396 -9.851 0.678 1.00 0.00 H new ATOM 0 HB3 MET A 42 7.434 -10.032 -0.722 1.00 0.00 H new ATOM 0 HG2 MET A 42 7.729 -7.751 1.254 1.00 0.00 H new ATOM 0 HG3 MET A 42 8.553 -9.286 1.445 1.00 0.00 H new ATOM 0 HE1 MET A 42 10.489 -5.889 -0.361 1.00 0.00 H new ATOM 0 HE2 MET A 42 8.780 -5.803 0.127 1.00 0.00 H new ATOM 0 HE3 MET A 42 10.001 -6.414 1.268 1.00 0.00 H new ATOM 611 N ARG A 43 5.334 -9.575 -2.768 1.00 0.00 N ATOM 612 CA ARG A 43 5.308 -9.967 -4.173 1.00 0.00 C ATOM 613 C ARG A 43 4.704 -8.862 -5.035 1.00 0.00 C ATOM 614 O ARG A 43 5.073 -8.697 -6.197 1.00 0.00 O ATOM 615 CB ARG A 43 4.513 -11.262 -4.350 1.00 0.00 C ATOM 616 CG ARG A 43 4.978 -12.103 -5.528 1.00 0.00 C ATOM 617 CD ARG A 43 3.816 -12.831 -6.185 1.00 0.00 C ATOM 618 NE ARG A 43 3.624 -14.169 -5.631 1.00 0.00 N ATOM 619 CZ ARG A 43 2.948 -15.136 -6.247 1.00 0.00 C ATOM 620 NH1 ARG A 43 2.395 -14.919 -7.433 1.00 0.00 N ATOM 621 NH2 ARG A 43 2.822 -16.326 -5.673 1.00 0.00 N ATOM 0 H ARG A 43 4.654 -10.059 -2.182 1.00 0.00 H new ATOM 0 HA ARG A 43 6.335 -10.134 -4.496 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.590 -11.854 -3.438 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.459 -11.017 -4.482 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.470 -11.464 -6.261 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.718 -12.828 -5.189 1.00 0.00 H new ATOM 0 HD2 ARG A 43 2.903 -12.250 -6.053 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.995 -12.905 -7.258 1.00 0.00 H new ATOM 0 HE ARG A 43 4.032 -14.374 -4.719 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.486 -14.006 -7.879 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.878 -15.665 -7.899 1.00 0.00 H new ATOM 0 HH21 ARG A 43 3.243 -16.499 -4.760 1.00 0.00 H new ATOM 0 HH22 ARG A 43 2.304 -17.067 -6.145 1.00 0.00 H new ATOM 635 N ALA A 44 3.773 -8.110 -4.457 1.00 0.00 N ATOM 636 CA ALA A 44 3.118 -7.023 -5.174 1.00 0.00 C ATOM 637 C ALA A 44 4.046 -5.820 -5.331 1.00 0.00 C ATOM 638 O ALA A 44 3.789 -4.929 -6.142 1.00 0.00 O ATOM 639 CB ALA A 44 1.841 -6.612 -4.455 1.00 0.00 C ATOM 0 H ALA A 44 3.456 -8.233 -3.495 1.00 0.00 H new ATOM 0 HA ALA A 44 2.866 -7.384 -6.171 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.362 -5.799 -5.001 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.163 -7.464 -4.403 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.083 -6.278 -3.446 1.00 0.00 H new ATOM 645 N GLY A 45 5.125 -5.796 -4.551 1.00 0.00 N ATOM 646 CA GLY A 45 6.068 -4.695 -4.627 1.00 0.00 C ATOM 647 C GLY A 45 5.792 -3.622 -3.592 1.00 0.00 C ATOM 648 O GLY A 45 6.126 -2.454 -3.796 1.00 0.00 O ATOM 0 H GLY A 45 5.361 -6.518 -3.870 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.079 -5.077 -4.489 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.027 -4.254 -5.623 1.00 0.00 H new ATOM 652 N VAL A 46 5.182 -4.016 -2.480 1.00 0.00 N ATOM 653 CA VAL A 46 4.861 -3.078 -1.411 1.00 0.00 C ATOM 654 C VAL A 46 6.037 -2.917 -0.451 1.00 0.00 C ATOM 655 O VAL A 46 6.807 -3.852 -0.239 1.00 0.00 O ATOM 656 CB VAL A 46 3.623 -3.529 -0.615 1.00 0.00 C ATOM 657 CG1 VAL A 46 3.163 -2.432 0.331 1.00 0.00 C ATOM 658 CG2 VAL A 46 2.499 -3.933 -1.560 1.00 0.00 C ATOM 0 H VAL A 46 4.900 -4.979 -2.295 1.00 0.00 H new ATOM 0 HA VAL A 46 4.646 -2.121 -1.886 1.00 0.00 H new ATOM 0 HB VAL A 46 3.897 -4.398 -0.017 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.287 -2.772 0.884 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.964 -2.195 1.031 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.907 -1.541 -0.242 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.632 -4.249 -0.980 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.227 -3.083 -2.186 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.833 -4.756 -2.191 1.00 0.00 H new ATOM 668 N GLN A 47 6.165 -1.727 0.126 1.00 0.00 N ATOM 669 CA GLN A 47 7.245 -1.445 1.064 1.00 0.00 C ATOM 670 C GLN A 47 6.696 -0.915 2.383 1.00 0.00 C ATOM 671 O GLN A 47 5.669 -0.235 2.410 1.00 0.00 O ATOM 672 CB GLN A 47 8.220 -0.432 0.461 1.00 0.00 C ATOM 673 CG GLN A 47 8.777 -0.852 -0.889 1.00 0.00 C ATOM 674 CD GLN A 47 9.323 0.318 -1.685 1.00 0.00 C ATOM 675 OE1 GLN A 47 10.499 0.665 -1.572 1.00 0.00 O ATOM 676 NE2 GLN A 47 8.470 0.932 -2.494 1.00 0.00 N ATOM 0 H GLN A 47 5.534 -0.943 -0.039 1.00 0.00 H new ATOM 0 HA GLN A 47 7.774 -2.377 1.260 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.714 0.527 0.353 1.00 0.00 H new ATOM 0 HB3 GLN A 47 9.047 -0.279 1.154 1.00 0.00 H new ATOM 0 HG2 GLN A 47 9.569 -1.585 -0.739 1.00 0.00 H new ATOM 0 HG3 GLN A 47 7.993 -1.344 -1.464 1.00 0.00 H new ATOM 0 HE21 GLN A 47 7.504 0.610 -2.556 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.780 1.726 -3.054 1.00 0.00 H new ATOM 685 N THR A 48 7.383 -1.232 3.474 1.00 0.00 N ATOM 686 CA THR A 48 6.959 -0.786 4.796 1.00 0.00 C ATOM 687 C THR A 48 7.088 0.727 4.928 1.00 0.00 C ATOM 688 O THR A 48 8.127 1.303 4.602 1.00 0.00 O ATOM 689 CB THR A 48 7.781 -1.476 5.886 1.00 0.00 C ATOM 690 OG1 THR A 48 7.603 -0.827 7.132 1.00 0.00 O ATOM 691 CG2 THR A 48 9.266 -1.507 5.592 1.00 0.00 C ATOM 0 H THR A 48 8.234 -1.795 3.470 1.00 0.00 H new ATOM 0 HA THR A 48 5.910 -1.057 4.919 1.00 0.00 H new ATOM 0 HB THR A 48 7.414 -2.502 5.917 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.672 -0.924 7.422 1.00 0.00 H new ATOM 0 HG21 THR A 48 9.788 -2.010 6.406 1.00 0.00 H new ATOM 0 HG22 THR A 48 9.441 -2.045 4.661 1.00 0.00 H new ATOM 0 HG23 THR A 48 9.640 -0.487 5.497 1.00 0.00 H new ATOM 699 N GLY A 49 6.028 1.360 5.409 1.00 0.00 N ATOM 700 CA GLY A 49 6.036 2.802 5.581 1.00 0.00 C ATOM 701 C GLY A 49 5.869 3.545 4.269 1.00 0.00 C ATOM 702 O GLY A 49 6.499 4.581 4.052 1.00 0.00 O ATOM 0 H GLY A 49 5.160 0.901 5.684 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.234 3.088 6.261 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.973 3.104 6.049 1.00 0.00 H new ATOM 706 N ASP A 50 5.020 3.016 3.395 1.00 0.00 N ATOM 707 CA ASP A 50 4.773 3.639 2.098 1.00 0.00 C ATOM 708 C ASP A 50 3.488 4.460 2.128 1.00 0.00 C ATOM 709 O ASP A 50 2.519 4.092 2.792 1.00 0.00 O ATOM 710 CB ASP A 50 4.690 2.572 1.004 1.00 0.00 C ATOM 711 CG ASP A 50 5.730 2.773 -0.082 1.00 0.00 C ATOM 712 OD1 ASP A 50 6.937 2.675 0.228 1.00 0.00 O ATOM 713 OD2 ASP A 50 5.338 3.029 -1.239 1.00 0.00 O ATOM 0 H ASP A 50 4.492 2.159 3.560 1.00 0.00 H new ATOM 0 HA ASP A 50 5.604 4.308 1.877 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.822 1.587 1.451 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.695 2.590 0.558 1.00 0.00 H new ATOM 718 N ARG A 51 3.487 5.576 1.406 1.00 0.00 N ATOM 719 CA ARG A 51 2.320 6.448 1.350 1.00 0.00 C ATOM 720 C ARG A 51 1.428 6.089 0.168 1.00 0.00 C ATOM 721 O ARG A 51 1.901 5.954 -0.961 1.00 0.00 O ATOM 722 CB ARG A 51 2.755 7.911 1.250 1.00 0.00 C ATOM 723 CG ARG A 51 1.741 8.888 1.825 1.00 0.00 C ATOM 724 CD ARG A 51 0.792 9.404 0.755 1.00 0.00 C ATOM 725 NE ARG A 51 0.935 10.843 0.545 1.00 0.00 N ATOM 726 CZ ARG A 51 0.402 11.765 1.343 1.00 0.00 C ATOM 727 NH1 ARG A 51 -0.307 11.403 2.407 1.00 0.00 N ATOM 728 NH2 ARG A 51 0.580 13.053 1.081 1.00 0.00 N ATOM 0 H ARG A 51 4.281 5.897 0.852 1.00 0.00 H new ATOM 0 HA ARG A 51 1.749 6.308 2.268 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.704 8.036 1.772 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.932 8.158 0.203 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.170 8.398 2.613 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.263 9.727 2.284 1.00 0.00 H new ATOM 0 HD2 ARG A 51 0.982 8.880 -0.182 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.235 9.180 1.043 1.00 0.00 H new ATOM 0 HE ARG A 51 1.475 11.159 -0.260 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.445 10.414 2.616 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.713 12.114 3.015 1.00 0.00 H new ATOM 0 HH21 ARG A 51 1.126 13.337 0.267 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.171 13.759 1.693 1.00 0.00 H new ATOM 742 N ILE A 52 0.135 5.932 0.434 1.00 0.00 N ATOM 743 CA ILE A 52 -0.823 5.588 -0.609 1.00 0.00 C ATOM 744 C ILE A 52 -1.479 6.840 -1.183 1.00 0.00 C ATOM 745 O ILE A 52 -2.098 7.617 -0.459 1.00 0.00 O ATOM 746 CB ILE A 52 -1.920 4.643 -0.077 1.00 0.00 C ATOM 747 CG1 ILE A 52 -1.288 3.447 0.641 1.00 0.00 C ATOM 748 CG2 ILE A 52 -2.812 4.170 -1.216 1.00 0.00 C ATOM 749 CD1 ILE A 52 -2.182 2.839 1.700 1.00 0.00 C ATOM 0 H ILE A 52 -0.273 6.038 1.363 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.267 5.078 -1.395 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.535 5.191 0.637 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.037 2.683 -0.094 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.353 3.763 1.104 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.581 3.504 -0.824 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.285 5.031 -1.690 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.210 3.636 -1.952 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.671 1.997 2.168 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.412 3.589 2.456 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.107 2.492 1.240 1.00 0.00 H new ATOM 761 N ILE A 53 -1.336 7.028 -2.492 1.00 0.00 N ATOM 762 CA ILE A 53 -1.911 8.186 -3.165 1.00 0.00 C ATOM 763 C ILE A 53 -3.342 7.910 -3.614 1.00 0.00 C ATOM 764 O ILE A 53 -4.242 8.714 -3.378 1.00 0.00 O ATOM 765 CB ILE A 53 -1.072 8.599 -4.389 1.00 0.00 C ATOM 766 CG1 ILE A 53 0.408 8.691 -4.013 1.00 0.00 C ATOM 767 CG2 ILE A 53 -1.566 9.925 -4.947 1.00 0.00 C ATOM 768 CD1 ILE A 53 1.326 8.830 -5.207 1.00 0.00 C ATOM 0 H ILE A 53 -0.827 6.393 -3.107 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.912 9.001 -2.442 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.184 7.838 -5.161 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.554 9.544 -3.351 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.688 7.800 -3.451 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.963 10.203 -5.811 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.609 9.827 -5.248 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.480 10.696 -4.182 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.360 8.890 -4.866 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.208 7.965 -5.859 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.072 9.736 -5.757 1.00 0.00 H new ATOM 780 N LYS A 54 -3.546 6.769 -4.266 1.00 0.00 N ATOM 781 CA LYS A 54 -4.870 6.395 -4.750 1.00 0.00 C ATOM 782 C LYS A 54 -5.162 4.924 -4.472 1.00 0.00 C ATOM 783 O LYS A 54 -4.250 4.135 -4.218 1.00 0.00 O ATOM 784 CB LYS A 54 -4.987 6.674 -6.249 1.00 0.00 C ATOM 785 CG LYS A 54 -4.402 8.013 -6.667 1.00 0.00 C ATOM 786 CD LYS A 54 -5.214 8.650 -7.784 1.00 0.00 C ATOM 787 CE LYS A 54 -4.540 9.905 -8.321 1.00 0.00 C ATOM 788 NZ LYS A 54 -4.354 9.847 -9.796 1.00 0.00 N ATOM 0 H LYS A 54 -2.813 6.089 -4.471 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.604 6.998 -4.215 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.482 5.879 -6.798 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.038 6.641 -6.535 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.374 8.683 -5.808 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.372 7.875 -6.997 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.346 7.932 -8.594 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.209 8.900 -7.415 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.141 10.778 -8.065 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.571 10.032 -7.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.892 10.720 -10.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.760 9.029 -10.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.280 9.752 -10.259 1.00 0.00 H new ATOM 802 N VAL A 55 -6.439 4.562 -4.522 1.00 0.00 N ATOM 803 CA VAL A 55 -6.857 3.186 -4.276 1.00 0.00 C ATOM 804 C VAL A 55 -7.902 2.742 -5.295 1.00 0.00 C ATOM 805 O VAL A 55 -9.045 3.200 -5.267 1.00 0.00 O ATOM 806 CB VAL A 55 -7.435 3.019 -2.859 1.00 0.00 C ATOM 807 CG1 VAL A 55 -7.712 1.553 -2.561 1.00 0.00 C ATOM 808 CG2 VAL A 55 -6.491 3.612 -1.824 1.00 0.00 C ATOM 0 H VAL A 55 -7.204 5.203 -4.731 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.969 2.562 -4.372 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.380 3.559 -2.808 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.120 1.457 -1.555 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.431 1.165 -3.283 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.784 0.986 -2.632 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.916 3.485 -0.828 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.529 3.103 -1.875 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.351 4.674 -2.026 1.00 0.00 H new ATOM 818 N ASN A 56 -7.504 1.847 -6.194 1.00 0.00 N ATOM 819 CA ASN A 56 -8.407 1.342 -7.222 1.00 0.00 C ATOM 820 C ASN A 56 -8.886 2.475 -8.126 1.00 0.00 C ATOM 821 O ASN A 56 -10.082 2.624 -8.376 1.00 0.00 O ATOM 822 CB ASN A 56 -9.603 0.637 -6.577 1.00 0.00 C ATOM 823 CG ASN A 56 -9.429 -0.869 -6.531 1.00 0.00 C ATOM 824 OD1 ASN A 56 -8.399 -1.401 -6.946 1.00 0.00 O ATOM 825 ND2 ASN A 56 -10.441 -1.567 -6.026 1.00 0.00 N ATOM 0 H ASN A 56 -6.562 1.457 -6.231 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.862 0.623 -7.834 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -9.742 1.015 -5.564 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -10.508 0.879 -7.134 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -10.382 -2.584 -5.971 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -11.277 -1.086 -5.693 1.00 0.00 H new ATOM 832 N GLY A 57 -7.941 3.276 -8.610 1.00 0.00 N ATOM 833 CA GLY A 57 -8.285 4.386 -9.480 1.00 0.00 C ATOM 834 C GLY A 57 -9.244 5.362 -8.824 1.00 0.00 C ATOM 835 O GLY A 57 -10.003 6.050 -9.506 1.00 0.00 O ATOM 0 H GLY A 57 -6.945 3.176 -8.415 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.376 4.913 -9.768 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.734 4.001 -10.396 1.00 0.00 H new ATOM 839 N THR A 58 -9.209 5.419 -7.496 1.00 0.00 N ATOM 840 CA THR A 58 -10.082 6.316 -6.748 1.00 0.00 C ATOM 841 C THR A 58 -9.402 6.792 -5.468 1.00 0.00 C ATOM 842 O THR A 58 -9.044 5.991 -4.607 1.00 0.00 O ATOM 843 CB THR A 58 -11.397 5.613 -6.409 1.00 0.00 C ATOM 844 OG1 THR A 58 -11.919 4.949 -7.546 1.00 0.00 O ATOM 845 CG2 THR A 58 -12.465 6.556 -5.898 1.00 0.00 C ATOM 0 H THR A 58 -8.586 4.855 -6.917 1.00 0.00 H new ATOM 0 HA THR A 58 -10.292 7.185 -7.372 1.00 0.00 H new ATOM 0 HB THR A 58 -11.150 4.905 -5.617 1.00 0.00 H new ATOM 0 HG1 THR A 58 -11.385 4.148 -7.731 1.00 0.00 H new ATOM 0 HG21 THR A 58 -13.372 5.993 -5.676 1.00 0.00 H new ATOM 0 HG22 THR A 58 -12.113 7.048 -4.991 1.00 0.00 H new ATOM 0 HG23 THR A 58 -12.681 7.307 -6.658 1.00 0.00 H new ATOM 945 N HIS A 65 -10.567 5.656 9.167 1.00 0.00 N ATOM 946 CA HIS A 65 -9.798 4.481 8.772 1.00 0.00 C ATOM 947 C HIS A 65 -10.725 3.319 8.431 1.00 0.00 C ATOM 948 O HIS A 65 -10.452 2.539 7.516 1.00 0.00 O ATOM 949 CB HIS A 65 -8.837 4.073 9.889 1.00 0.00 C ATOM 950 CG HIS A 65 -7.764 3.130 9.439 1.00 0.00 C ATOM 951 ND1 HIS A 65 -7.524 1.916 10.047 1.00 0.00 N ATOM 952 CD2 HIS A 65 -6.865 3.228 8.431 1.00 0.00 C ATOM 953 CE1 HIS A 65 -6.523 1.309 9.436 1.00 0.00 C ATOM 954 NE2 HIS A 65 -6.106 2.083 8.450 1.00 0.00 N ATOM 0 HA HIS A 65 -9.220 4.736 7.884 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -8.373 4.968 10.303 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -9.405 3.607 10.694 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -8.040 1.544 10.845 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -6.764 4.053 7.741 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -6.115 0.344 9.698 1.00 0.00 H new ATOM 963 N LEU A 66 -11.826 3.212 9.172 1.00 0.00 N ATOM 964 CA LEU A 66 -12.796 2.146 8.949 1.00 0.00 C ATOM 965 C LEU A 66 -13.270 2.146 7.500 1.00 0.00 C ATOM 966 O LEU A 66 -13.382 1.093 6.873 1.00 0.00 O ATOM 967 CB LEU A 66 -13.992 2.311 9.889 1.00 0.00 C ATOM 968 CG LEU A 66 -13.655 2.261 11.380 1.00 0.00 C ATOM 969 CD1 LEU A 66 -14.564 3.196 12.165 1.00 0.00 C ATOM 970 CD2 LEU A 66 -13.772 0.838 11.905 1.00 0.00 C ATOM 0 H LEU A 66 -12.067 3.850 9.930 1.00 0.00 H new ATOM 0 HA LEU A 66 -12.310 1.193 9.157 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -14.476 3.264 9.673 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -14.718 1.528 9.670 1.00 0.00 H new ATOM 0 HG LEU A 66 -12.625 2.593 11.511 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -14.309 3.147 13.224 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -14.432 4.217 11.807 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -15.602 2.894 12.027 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -13.529 0.821 12.967 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -14.791 0.479 11.760 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -13.080 0.193 11.364 1.00 0.00 H new ATOM 982 N GLU A 67 -13.533 3.336 6.969 1.00 0.00 N ATOM 983 CA GLU A 67 -13.979 3.469 5.589 1.00 0.00 C ATOM 984 C GLU A 67 -12.911 2.940 4.641 1.00 0.00 C ATOM 985 O GLU A 67 -13.209 2.210 3.696 1.00 0.00 O ATOM 986 CB GLU A 67 -14.292 4.932 5.266 1.00 0.00 C ATOM 987 CG GLU A 67 -15.657 5.385 5.755 1.00 0.00 C ATOM 988 CD GLU A 67 -15.992 6.799 5.322 1.00 0.00 C ATOM 989 OE1 GLU A 67 -16.074 7.041 4.100 1.00 0.00 O ATOM 990 OE2 GLU A 67 -16.170 7.664 6.206 1.00 0.00 O ATOM 0 H GLU A 67 -13.445 4.219 7.473 1.00 0.00 H new ATOM 0 HA GLU A 67 -14.889 2.883 5.460 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.526 5.566 5.714 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -14.235 5.077 4.187 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -16.419 4.703 5.377 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -15.687 5.325 6.843 1.00 0.00 H new ATOM 997 N VAL A 68 -11.660 3.302 4.913 1.00 0.00 N ATOM 998 CA VAL A 68 -10.545 2.850 4.096 1.00 0.00 C ATOM 999 C VAL A 68 -10.417 1.335 4.178 1.00 0.00 C ATOM 1000 O VAL A 68 -10.279 0.654 3.160 1.00 0.00 O ATOM 1001 CB VAL A 68 -9.217 3.492 4.542 1.00 0.00 C ATOM 1002 CG1 VAL A 68 -8.092 3.117 3.591 1.00 0.00 C ATOM 1003 CG2 VAL A 68 -9.360 5.003 4.642 1.00 0.00 C ATOM 0 H VAL A 68 -11.397 3.906 5.692 1.00 0.00 H new ATOM 0 HA VAL A 68 -10.748 3.154 3.069 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.966 3.108 5.531 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.164 3.581 3.925 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.972 2.034 3.578 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.332 3.467 2.587 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.412 5.438 4.958 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.638 5.407 3.669 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -10.133 5.248 5.371 1.00 0.00 H new ATOM 1013 N VAL A 69 -10.481 0.814 5.401 1.00 0.00 N ATOM 1014 CA VAL A 69 -10.389 -0.623 5.623 1.00 0.00 C ATOM 1015 C VAL A 69 -11.528 -1.344 4.914 1.00 0.00 C ATOM 1016 O VAL A 69 -11.320 -2.366 4.257 1.00 0.00 O ATOM 1017 CB VAL A 69 -10.431 -0.966 7.124 1.00 0.00 C ATOM 1018 CG1 VAL A 69 -10.161 -2.447 7.341 1.00 0.00 C ATOM 1019 CG2 VAL A 69 -9.432 -0.114 7.897 1.00 0.00 C ATOM 0 H VAL A 69 -10.596 1.366 6.251 1.00 0.00 H new ATOM 0 HA VAL A 69 -9.433 -0.954 5.216 1.00 0.00 H new ATOM 0 HB VAL A 69 -11.429 -0.743 7.501 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -10.195 -2.671 8.407 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -10.919 -3.035 6.823 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -9.176 -2.699 6.949 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -9.477 -0.371 8.955 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.426 -0.301 7.520 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.677 0.940 7.769 1.00 0.00 H new ATOM 1029 N LYS A 70 -12.735 -0.797 5.042 1.00 0.00 N ATOM 1030 CA LYS A 70 -13.906 -1.380 4.405 1.00 0.00 C ATOM 1031 C LYS A 70 -13.782 -1.293 2.887 1.00 0.00 C ATOM 1032 O LYS A 70 -14.163 -2.216 2.169 1.00 0.00 O ATOM 1033 CB LYS A 70 -15.179 -0.669 4.872 1.00 0.00 C ATOM 1034 CG LYS A 70 -16.240 -1.615 5.411 1.00 0.00 C ATOM 1035 CD LYS A 70 -16.925 -1.045 6.647 1.00 0.00 C ATOM 1036 CE LYS A 70 -18.416 -0.853 6.421 1.00 0.00 C ATOM 1037 NZ LYS A 70 -19.092 -2.129 6.058 1.00 0.00 N ATOM 0 H LYS A 70 -12.924 0.048 5.581 1.00 0.00 H new ATOM 0 HA LYS A 70 -13.968 -2.430 4.692 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -14.919 0.052 5.647 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -15.597 -0.104 4.038 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -16.984 -1.806 4.638 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -15.783 -2.573 5.657 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -16.768 -1.715 7.492 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -16.470 -0.090 6.908 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -18.870 -0.446 7.324 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -18.572 -0.121 5.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -20.081 -2.102 6.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -19.067 -2.253 5.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -18.601 -2.924 6.514 1.00 0.00 H new ATOM 1051 N LEU A 71 -13.237 -0.178 2.410 1.00 0.00 N ATOM 1052 CA LEU A 71 -13.053 0.029 0.979 1.00 0.00 C ATOM 1053 C LEU A 71 -12.017 -0.944 0.428 1.00 0.00 C ATOM 1054 O LEU A 71 -12.242 -1.588 -0.596 1.00 0.00 O ATOM 1055 CB LEU A 71 -12.619 1.469 0.699 1.00 0.00 C ATOM 1056 CG LEU A 71 -13.044 2.020 -0.662 1.00 0.00 C ATOM 1057 CD1 LEU A 71 -12.317 1.293 -1.783 1.00 0.00 C ATOM 1058 CD2 LEU A 71 -14.550 1.903 -0.837 1.00 0.00 C ATOM 0 H LEU A 71 -12.916 0.595 2.993 1.00 0.00 H new ATOM 0 HA LEU A 71 -14.005 -0.154 0.481 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.027 2.113 1.478 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.533 1.526 0.774 1.00 0.00 H new ATOM 0 HG LEU A 71 -12.774 3.075 -0.706 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.632 1.699 -2.744 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.242 1.428 -1.667 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -12.555 0.230 -1.742 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -14.835 2.300 -1.811 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -14.844 0.855 -0.772 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -15.052 2.470 -0.053 1.00 0.00 H new ATOM 1070 N ILE A 72 -10.884 -1.049 1.116 1.00 0.00 N ATOM 1071 CA ILE A 72 -9.819 -1.949 0.692 1.00 0.00 C ATOM 1072 C ILE A 72 -10.250 -3.404 0.846 1.00 0.00 C ATOM 1073 O ILE A 72 -9.893 -4.256 0.033 1.00 0.00 O ATOM 1074 CB ILE A 72 -8.523 -1.714 1.495 1.00 0.00 C ATOM 1075 CG1 ILE A 72 -7.385 -2.566 0.931 1.00 0.00 C ATOM 1076 CG2 ILE A 72 -8.742 -2.021 2.968 1.00 0.00 C ATOM 1077 CD1 ILE A 72 -6.010 -2.083 1.335 1.00 0.00 C ATOM 0 H ILE A 72 -10.681 -0.524 1.966 1.00 0.00 H new ATOM 0 HA ILE A 72 -9.620 -1.737 -0.358 1.00 0.00 H new ATOM 0 HB ILE A 72 -8.246 -0.664 1.403 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -7.512 -3.595 1.266 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -7.453 -2.574 -0.157 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -7.816 -1.849 3.517 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.524 -1.372 3.363 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -9.043 -3.062 3.082 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -5.253 -2.735 0.899 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.862 -1.064 0.976 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.923 -2.101 2.421 1.00 0.00 H new ATOM 1089 N LYS A 73 -11.019 -3.681 1.895 1.00 0.00 N ATOM 1090 CA LYS A 73 -11.501 -5.033 2.155 1.00 0.00 C ATOM 1091 C LYS A 73 -12.570 -5.435 1.144 1.00 0.00 C ATOM 1092 O LYS A 73 -12.726 -6.615 0.827 1.00 0.00 O ATOM 1093 CB LYS A 73 -12.062 -5.134 3.574 1.00 0.00 C ATOM 1094 CG LYS A 73 -11.009 -5.444 4.624 1.00 0.00 C ATOM 1095 CD LYS A 73 -11.584 -6.284 5.755 1.00 0.00 C ATOM 1096 CE LYS A 73 -11.021 -5.862 7.104 1.00 0.00 C ATOM 1097 NZ LYS A 73 -10.001 -6.823 7.605 1.00 0.00 N ATOM 0 H LYS A 73 -11.322 -2.987 2.579 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.658 -5.716 2.056 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.552 -4.195 3.830 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.827 -5.910 3.599 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.177 -5.975 4.161 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.609 -4.513 5.027 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.670 -6.187 5.766 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.360 -7.336 5.579 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -10.575 -4.871 7.017 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.832 -5.784 7.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -9.642 -6.500 8.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.433 -7.763 7.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -9.214 -6.879 6.927 1.00 0.00 H new ATOM 1111 N SER A 74 -13.307 -4.450 0.643 1.00 0.00 N ATOM 1112 CA SER A 74 -14.364 -4.702 -0.330 1.00 0.00 C ATOM 1113 C SER A 74 -13.789 -5.253 -1.631 1.00 0.00 C ATOM 1114 O SER A 74 -13.616 -4.521 -2.604 1.00 0.00 O ATOM 1115 CB SER A 74 -15.148 -3.420 -0.611 1.00 0.00 C ATOM 1116 OG SER A 74 -16.449 -3.710 -1.093 1.00 0.00 O ATOM 0 H SER A 74 -13.192 -3.468 0.895 1.00 0.00 H new ATOM 0 HA SER A 74 -15.038 -5.447 0.093 1.00 0.00 H new ATOM 0 HB2 SER A 74 -15.219 -2.827 0.301 1.00 0.00 H new ATOM 0 HB3 SER A 74 -14.612 -2.816 -1.343 1.00 0.00 H new ATOM 0 HG SER A 74 -16.929 -2.873 -1.263 1.00 0.00 H new ATOM 1122 N GLY A 75 -13.497 -6.550 -1.642 1.00 0.00 N ATOM 1123 CA GLY A 75 -12.946 -7.178 -2.829 1.00 0.00 C ATOM 1124 C GLY A 75 -11.613 -7.850 -2.565 1.00 0.00 C ATOM 1125 O GLY A 75 -10.825 -7.381 -1.744 1.00 0.00 O ATOM 0 H GLY A 75 -13.632 -7.178 -0.849 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.653 -7.917 -3.207 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.822 -6.427 -3.609 1.00 0.00 H new ATOM 1129 N SER A 76 -11.359 -8.951 -3.265 1.00 0.00 N ATOM 1130 CA SER A 76 -10.112 -9.689 -3.104 1.00 0.00 C ATOM 1131 C SER A 76 -8.936 -8.898 -3.666 1.00 0.00 C ATOM 1132 O SER A 76 -7.947 -8.659 -2.972 1.00 0.00 O ATOM 1133 CB SER A 76 -10.207 -11.050 -3.798 1.00 0.00 C ATOM 1134 OG SER A 76 -11.075 -11.921 -3.096 1.00 0.00 O ATOM 0 H SER A 76 -12.001 -9.352 -3.949 1.00 0.00 H new ATOM 0 HA SER A 76 -9.945 -9.844 -2.038 1.00 0.00 H new ATOM 0 HB2 SER A 76 -10.567 -10.917 -4.818 1.00 0.00 H new ATOM 0 HB3 SER A 76 -9.215 -11.497 -3.866 1.00 0.00 H new ATOM 0 HG SER A 76 -11.120 -12.783 -3.561 1.00 0.00 H new ATOM 1140 N TYR A 77 -9.050 -8.491 -4.925 1.00 0.00 N ATOM 1141 CA TYR A 77 -7.998 -7.723 -5.580 1.00 0.00 C ATOM 1142 C TYR A 77 -8.292 -6.228 -5.508 1.00 0.00 C ATOM 1143 O TYR A 77 -9.391 -5.785 -5.843 1.00 0.00 O ATOM 1144 CB TYR A 77 -7.853 -8.157 -7.040 1.00 0.00 C ATOM 1145 CG TYR A 77 -7.558 -9.631 -7.208 1.00 0.00 C ATOM 1146 CD1 TYR A 77 -8.572 -10.576 -7.107 1.00 0.00 C ATOM 1147 CD2 TYR A 77 -6.269 -10.076 -7.469 1.00 0.00 C ATOM 1148 CE1 TYR A 77 -8.307 -11.924 -7.260 1.00 0.00 C ATOM 1149 CE2 TYR A 77 -5.996 -11.421 -7.623 1.00 0.00 C ATOM 1150 CZ TYR A 77 -7.018 -12.341 -7.518 1.00 0.00 C ATOM 1151 OH TYR A 77 -6.750 -13.682 -7.671 1.00 0.00 O ATOM 0 H TYR A 77 -9.862 -8.680 -5.513 1.00 0.00 H new ATOM 0 HA TYR A 77 -7.062 -7.917 -5.057 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -8.772 -7.916 -7.575 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.053 -7.580 -7.504 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -9.583 -10.252 -6.906 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -5.466 -9.358 -7.553 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -9.105 -12.647 -7.178 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -4.987 -11.751 -7.825 1.00 0.00 H new ATOM 0 HH TYR A 77 -5.794 -13.806 -7.849 1.00 0.00 H new ATOM 1161 N VAL A 78 -7.305 -5.456 -5.070 1.00 0.00 N ATOM 1162 CA VAL A 78 -7.460 -4.011 -4.954 1.00 0.00 C ATOM 1163 C VAL A 78 -6.143 -3.291 -5.230 1.00 0.00 C ATOM 1164 O VAL A 78 -5.157 -3.484 -4.519 1.00 0.00 O ATOM 1165 CB VAL A 78 -7.971 -3.612 -3.555 1.00 0.00 C ATOM 1166 CG1 VAL A 78 -6.985 -4.043 -2.480 1.00 0.00 C ATOM 1167 CG2 VAL A 78 -8.229 -2.114 -3.483 1.00 0.00 C ATOM 0 H VAL A 78 -6.389 -5.806 -4.789 1.00 0.00 H new ATOM 0 HA VAL A 78 -8.196 -3.710 -5.700 1.00 0.00 H new ATOM 0 HB VAL A 78 -8.915 -4.127 -3.376 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.364 -3.752 -1.500 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.860 -5.125 -2.514 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.023 -3.561 -2.654 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -8.589 -1.854 -2.487 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.304 -1.575 -3.686 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.980 -1.838 -4.224 1.00 0.00 H new ATOM 1177 N ALA A 79 -6.136 -2.458 -6.266 1.00 0.00 N ATOM 1178 CA ALA A 79 -4.942 -1.707 -6.634 1.00 0.00 C ATOM 1179 C ALA A 79 -4.765 -0.490 -5.732 1.00 0.00 C ATOM 1180 O ALA A 79 -5.739 0.155 -5.346 1.00 0.00 O ATOM 1181 CB ALA A 79 -5.016 -1.279 -8.092 1.00 0.00 C ATOM 0 H ALA A 79 -6.944 -2.286 -6.865 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.077 -2.356 -6.502 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.118 -0.719 -8.353 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.091 -2.162 -8.727 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.893 -0.649 -8.242 1.00 0.00 H new ATOM 1187 N LEU A 80 -3.516 -0.183 -5.397 1.00 0.00 N ATOM 1188 CA LEU A 80 -3.217 0.956 -4.538 1.00 0.00 C ATOM 1189 C LEU A 80 -1.925 1.644 -4.967 1.00 0.00 C ATOM 1190 O LEU A 80 -0.832 1.114 -4.769 1.00 0.00 O ATOM 1191 CB LEU A 80 -3.105 0.504 -3.079 1.00 0.00 C ATOM 1192 CG LEU A 80 -4.422 0.498 -2.300 1.00 0.00 C ATOM 1193 CD1 LEU A 80 -5.076 -0.874 -2.367 1.00 0.00 C ATOM 1194 CD2 LEU A 80 -4.188 0.909 -0.853 1.00 0.00 C ATOM 0 H LEU A 80 -2.697 -0.706 -5.707 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.034 1.671 -4.632 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.683 -0.501 -3.057 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.400 1.157 -2.565 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.096 1.222 -2.758 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.011 -0.859 -1.807 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.279 -1.130 -3.407 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.407 -1.618 -1.935 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.135 0.899 -0.314 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.496 0.210 -0.383 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.765 1.913 -0.824 1.00 0.00 H new ATOM 1206 N THR A 81 -2.058 2.831 -5.551 1.00 0.00 N ATOM 1207 CA THR A 81 -0.900 3.594 -6.001 1.00 0.00 C ATOM 1208 C THR A 81 -0.211 4.268 -4.821 1.00 0.00 C ATOM 1209 O THR A 81 -0.766 5.175 -4.201 1.00 0.00 O ATOM 1210 CB THR A 81 -1.323 4.644 -7.030 1.00 0.00 C ATOM 1211 OG1 THR A 81 -2.182 4.076 -8.002 1.00 0.00 O ATOM 1212 CG2 THR A 81 -0.155 5.271 -7.758 1.00 0.00 C ATOM 0 H THR A 81 -2.955 3.284 -5.723 1.00 0.00 H new ATOM 0 HA THR A 81 -0.196 2.905 -6.468 1.00 0.00 H new ATOM 0 HB THR A 81 -1.833 5.420 -6.459 1.00 0.00 H new ATOM 0 HG1 THR A 81 -1.769 3.268 -8.372 1.00 0.00 H new ATOM 0 HG21 THR A 81 -0.524 6.006 -8.473 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.501 5.762 -7.039 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.401 4.498 -8.288 1.00 0.00 H new ATOM 1220 N VAL A 82 1.000 3.815 -4.510 1.00 0.00 N ATOM 1221 CA VAL A 82 1.762 4.370 -3.397 1.00 0.00 C ATOM 1222 C VAL A 82 2.998 5.118 -3.885 1.00 0.00 C ATOM 1223 O VAL A 82 3.403 4.986 -5.040 1.00 0.00 O ATOM 1224 CB VAL A 82 2.200 3.267 -2.416 1.00 0.00 C ATOM 1225 CG1 VAL A 82 0.989 2.633 -1.746 1.00 0.00 C ATOM 1226 CG2 VAL A 82 3.033 2.215 -3.133 1.00 0.00 C ATOM 0 H VAL A 82 1.474 3.065 -5.013 1.00 0.00 H new ATOM 0 HA VAL A 82 1.102 5.069 -2.883 1.00 0.00 H new ATOM 0 HB VAL A 82 2.817 3.721 -1.641 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.320 1.856 -1.057 1.00 0.00 H new ATOM 0 HG12 VAL A 82 0.437 3.395 -1.196 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.342 2.193 -2.505 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.334 1.444 -2.424 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.442 1.765 -3.931 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.921 2.682 -3.559 1.00 0.00 H new ATOM 1236 N GLN A 83 3.595 5.901 -2.992 1.00 0.00 N ATOM 1237 CA GLN A 83 4.788 6.672 -3.322 1.00 0.00 C ATOM 1238 C GLN A 83 5.749 6.711 -2.137 1.00 0.00 C ATOM 1239 O GLN A 83 5.328 6.651 -0.982 1.00 0.00 O ATOM 1240 CB GLN A 83 4.403 8.094 -3.732 1.00 0.00 C ATOM 1241 CG GLN A 83 5.592 8.961 -4.114 1.00 0.00 C ATOM 1242 CD GLN A 83 5.184 10.362 -4.525 1.00 0.00 C ATOM 1243 OE1 GLN A 83 5.241 10.638 -5.823 1.00 0.00 O flip ATOM 1244 NE2 GLN A 83 4.819 11.187 -3.687 1.00 0.00 N flip ATOM 0 H GLN A 83 3.271 6.018 -2.032 1.00 0.00 H new ATOM 0 HA GLN A 83 5.289 6.186 -4.159 1.00 0.00 H new ATOM 0 HB2 GLN A 83 3.714 8.046 -4.575 1.00 0.00 H new ATOM 0 HB3 GLN A 83 3.868 8.568 -2.909 1.00 0.00 H new ATOM 0 HG2 GLN A 83 6.280 9.020 -3.271 1.00 0.00 H new ATOM 0 HG3 GLN A 83 6.133 8.489 -4.934 1.00 0.00 H new ATOM 0 HE21 GLN A 83 4.790 10.933 -2.700 1.00 0.00 H new ATOM 0 HE22 GLN A 83 4.545 12.125 -3.980 1.00 0.00 H new ATOM 1253 N GLY A 84 7.042 6.814 -2.431 1.00 0.00 N ATOM 1254 CA GLY A 84 8.038 6.859 -1.377 1.00 0.00 C ATOM 1255 C GLY A 84 9.427 7.181 -1.898 1.00 0.00 C ATOM 1256 O GLY A 84 9.633 7.289 -3.105 1.00 0.00 O ATOM 0 H GLY A 84 7.416 6.867 -3.378 1.00 0.00 H new ATOM 0 HA2 GLY A 84 7.748 7.608 -0.640 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.061 5.898 -0.863 1.00 0.00 H new