USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 476 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 18 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 19 ASN : amide:sc= -0.0688 X(o=-0.069,f=0.31) USER MOD Single : A 1 GLY N :NH3+ -141:sc= 0.00494 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -93:sc= -0.106 USER MOD Single : A 15 TYR OH : rot 130:sc= -1.56 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.847 USER MOD Single : A 32 HIS : no HD1:sc= -0.137 K(o=-0.14,f=-1.2) 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 38 THR OG1 : rot 140:sc= -0.0365 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -0.469 X(o=-0.47,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0393) USER MOD Single : A 58 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 62 GLN : amide:sc= 0.0727 K(o=0.073,f=-1.5) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.789 -10.708 5.553 1.00 0.00 N ATOM 2 CA GLY A 1 -14.514 -10.502 4.809 1.00 0.00 C ATOM 3 C GLY A 1 -14.173 -9.033 4.633 1.00 0.00 C ATOM 4 O GLY A 1 -14.399 -8.226 5.538 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.688 -11.519 6.196 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.011 -9.854 6.104 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.558 -10.894 4.878 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.703 -10.999 5.341 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.589 -10.974 3.829 1.00 0.00 H new ATOM 10 N ALA A 2 -13.624 -8.683 3.467 1.00 0.00 N ATOM 11 CA ALA A 2 -13.255 -7.300 3.181 1.00 0.00 C ATOM 12 C ALA A 2 -13.483 -6.949 1.710 1.00 0.00 C ATOM 13 O ALA A 2 -12.628 -7.222 0.864 1.00 0.00 O ATOM 14 CB ALA A 2 -11.804 -7.041 3.575 1.00 0.00 C ATOM 0 H ALA A 2 -13.427 -9.338 2.710 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.901 -6.656 3.778 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -11.547 -6.005 3.355 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -11.678 -7.227 4.642 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -11.150 -7.705 3.011 1.00 0.00 H new ATOM 20 N MET A 3 -14.641 -6.348 1.403 1.00 0.00 N ATOM 21 CA MET A 3 -14.973 -6.032 0.012 1.00 0.00 C ATOM 22 C MET A 3 -14.628 -4.591 -0.354 1.00 0.00 C ATOM 23 O MET A 3 -15.108 -3.641 0.268 1.00 0.00 O ATOM 24 CB MET A 3 -16.451 -6.317 -0.264 1.00 0.00 C ATOM 25 CG MET A 3 -16.719 -6.805 -1.678 1.00 0.00 C ATOM 26 SD MET A 3 -18.434 -7.301 -1.929 1.00 0.00 S ATOM 27 CE MET A 3 -18.333 -8.047 -3.554 1.00 0.00 C ATOM 0 H MET A 3 -15.349 -6.077 2.085 1.00 0.00 H new ATOM 0 HA MET A 3 -14.362 -6.678 -0.619 1.00 0.00 H new ATOM 0 HB2 MET A 3 -16.807 -7.065 0.444 1.00 0.00 H new ATOM 0 HB3 MET A 3 -17.028 -5.409 -0.086 1.00 0.00 H new ATOM 0 HG2 MET A 3 -16.466 -6.015 -2.385 1.00 0.00 H new ATOM 0 HG3 MET A 3 -16.065 -7.649 -1.897 1.00 0.00 H new ATOM 0 HE1 MET A 3 -19.319 -8.405 -3.852 1.00 0.00 H new ATOM 0 HE2 MET A 3 -17.983 -7.306 -4.273 1.00 0.00 H new ATOM 0 HE3 MET A 3 -17.636 -8.884 -3.527 1.00 0.00 H new ATOM 37 N GLY A 4 -13.762 -4.469 -1.369 1.00 0.00 N ATOM 38 CA GLY A 4 -13.322 -3.180 -1.889 1.00 0.00 C ATOM 39 C GLY A 4 -14.320 -2.044 -1.737 1.00 0.00 C ATOM 40 O GLY A 4 -15.477 -2.186 -2.142 1.00 0.00 O ATOM 0 H GLY A 4 -13.349 -5.268 -1.850 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.397 -2.900 -1.384 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.086 -3.295 -2.947 1.00 0.00 H new ATOM 44 N ALA A 5 -13.894 -0.918 -1.166 1.00 0.00 N ATOM 45 CA ALA A 5 -14.780 0.236 -1.015 1.00 0.00 C ATOM 46 C ALA A 5 -14.266 1.446 -1.805 1.00 0.00 C ATOM 47 O ALA A 5 -14.701 2.575 -1.565 1.00 0.00 O ATOM 48 CB ALA A 5 -14.918 0.590 0.460 1.00 0.00 C ATOM 0 H ALA A 5 -12.951 -0.780 -0.804 1.00 0.00 H new ATOM 0 HA ALA A 5 -15.757 -0.031 -1.417 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -15.579 1.450 0.567 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -15.337 -0.259 1.000 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -13.937 0.833 0.869 1.00 0.00 H new ATOM 54 N LYS A 6 -13.343 1.207 -2.751 1.00 0.00 N ATOM 55 CA LYS A 6 -12.757 2.286 -3.549 1.00 0.00 C ATOM 56 C LYS A 6 -11.922 3.165 -2.622 1.00 0.00 C ATOM 57 O LYS A 6 -12.237 4.331 -2.373 1.00 0.00 O ATOM 58 CB LYS A 6 -13.821 3.096 -4.303 1.00 0.00 C ATOM 59 CG LYS A 6 -13.971 2.691 -5.762 1.00 0.00 C ATOM 60 CD LYS A 6 -14.708 1.367 -5.914 1.00 0.00 C ATOM 61 CE LYS A 6 -16.199 1.522 -5.654 1.00 0.00 C ATOM 62 NZ LYS A 6 -16.947 0.263 -5.927 1.00 0.00 N ATOM 0 H LYS A 6 -12.990 0.277 -2.978 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.119 1.857 -4.322 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -14.781 2.977 -3.800 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -13.564 4.154 -4.252 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -14.510 3.470 -6.301 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -12.985 2.611 -6.219 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -14.552 0.977 -6.920 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -14.291 0.636 -5.221 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -16.357 1.820 -4.618 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -16.595 2.322 -6.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -17.959 0.412 -5.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -16.818 -0.009 -6.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -16.588 -0.495 -5.312 1.00 0.00 H new ATOM 76 N GLU A 7 -10.854 2.556 -2.109 1.00 0.00 N ATOM 77 CA GLU A 7 -9.975 3.199 -1.140 1.00 0.00 C ATOM 78 C GLU A 7 -8.593 3.539 -1.690 1.00 0.00 C ATOM 79 O GLU A 7 -7.960 2.745 -2.384 1.00 0.00 O ATOM 80 CB GLU A 7 -9.812 2.285 0.077 1.00 0.00 C ATOM 81 CG GLU A 7 -11.128 1.908 0.741 1.00 0.00 C ATOM 82 CD GLU A 7 -11.166 0.455 1.179 1.00 0.00 C ATOM 83 OE1 GLU A 7 -11.331 -0.423 0.306 1.00 0.00 O ATOM 84 OE2 GLU A 7 -11.031 0.196 2.393 1.00 0.00 O ATOM 0 H GLU A 7 -10.576 1.606 -2.354 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.449 4.144 -0.873 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.297 1.375 -0.230 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.175 2.781 0.809 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.290 2.549 1.607 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -11.948 2.096 0.047 1.00 0.00 H new ATOM 91 N TYR A 8 -8.162 4.757 -1.375 1.00 0.00 N ATOM 92 CA TYR A 8 -6.839 5.254 -1.736 1.00 0.00 C ATOM 93 C TYR A 8 -6.122 5.669 -0.454 1.00 0.00 C ATOM 94 O TYR A 8 -6.775 5.864 0.575 1.00 0.00 O ATOM 95 CB TYR A 8 -6.945 6.440 -2.702 1.00 0.00 C ATOM 96 CG TYR A 8 -7.684 6.116 -3.983 1.00 0.00 C ATOM 97 CD1 TYR A 8 -9.073 6.079 -4.017 1.00 0.00 C ATOM 98 CD2 TYR A 8 -6.991 5.846 -5.156 1.00 0.00 C ATOM 99 CE1 TYR A 8 -9.751 5.782 -5.183 1.00 0.00 C ATOM 100 CE2 TYR A 8 -7.662 5.548 -6.328 1.00 0.00 C ATOM 101 CZ TYR A 8 -9.041 5.516 -6.335 1.00 0.00 C ATOM 102 OH TYR A 8 -9.716 5.221 -7.500 1.00 0.00 O ATOM 0 H TYR A 8 -8.726 5.432 -0.858 1.00 0.00 H new ATOM 0 HA TYR A 8 -6.276 4.471 -2.244 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -7.452 7.263 -2.199 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -5.942 6.787 -2.949 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -9.632 6.286 -3.116 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -5.911 5.869 -5.153 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -10.831 5.758 -5.193 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -7.109 5.342 -7.233 1.00 0.00 H new ATOM 0 HH TYR A 8 -9.071 5.060 -8.220 1.00 0.00 H new ATOM 112 N CYS A 9 -4.801 5.812 -0.487 1.00 0.00 N ATOM 113 CA CYS A 9 -4.076 6.190 0.724 1.00 0.00 C ATOM 114 C CYS A 9 -2.883 7.091 0.429 1.00 0.00 C ATOM 115 O CYS A 9 -2.216 6.952 -0.599 1.00 0.00 O ATOM 116 CB CYS A 9 -3.612 4.940 1.476 1.00 0.00 C ATOM 117 SG CYS A 9 -2.565 3.832 0.502 1.00 0.00 S ATOM 0 H CYS A 9 -4.221 5.676 -1.315 1.00 0.00 H new ATOM 0 HA CYS A 9 -4.768 6.757 1.347 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -3.065 5.248 2.367 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -4.488 4.388 1.815 1.00 0.00 H new ATOM 0 HG CYS A 9 -2.224 2.808 1.227 1.00 0.00 H new ATOM 123 N ARG A 10 -2.627 8.017 1.349 1.00 0.00 N ATOM 124 CA ARG A 10 -1.511 8.945 1.234 1.00 0.00 C ATOM 125 C ARG A 10 -0.357 8.459 2.107 1.00 0.00 C ATOM 126 O ARG A 10 -0.547 8.185 3.292 1.00 0.00 O ATOM 127 CB ARG A 10 -1.948 10.348 1.663 1.00 0.00 C ATOM 128 CG ARG A 10 -0.924 11.433 1.371 1.00 0.00 C ATOM 129 CD ARG A 10 -1.347 12.775 1.954 1.00 0.00 C ATOM 130 NE ARG A 10 -2.730 13.116 1.612 1.00 0.00 N ATOM 131 CZ ARG A 10 -3.099 13.715 0.476 1.00 0.00 C ATOM 132 NH1 ARG A 10 -2.195 14.036 -0.448 1.00 0.00 N ATOM 133 NH2 ARG A 10 -4.381 13.990 0.260 1.00 0.00 N ATOM 0 H ARG A 10 -3.187 8.143 2.192 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.181 8.989 0.196 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.880 10.597 1.156 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.159 10.340 2.732 1.00 0.00 H new ATOM 0 HG2 ARG A 10 0.042 11.144 1.786 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.792 11.529 0.293 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.239 12.748 3.038 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -0.681 13.555 1.586 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.459 12.881 2.285 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.209 13.825 -0.292 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.488 14.493 -1.311 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.080 13.744 0.960 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -4.666 14.447 -0.606 1.00 0.00 H new ATOM 147 N THR A 11 0.838 8.366 1.528 1.00 0.00 N ATOM 148 CA THR A 11 2.001 7.879 2.268 1.00 0.00 C ATOM 149 C THR A 11 2.549 8.937 3.219 1.00 0.00 C ATOM 150 O THR A 11 2.960 10.019 2.795 1.00 0.00 O ATOM 151 CB THR A 11 3.132 7.409 1.329 1.00 0.00 C ATOM 152 OG1 THR A 11 3.486 8.452 0.415 1.00 0.00 O ATOM 153 CG2 THR A 11 2.715 6.166 0.554 1.00 0.00 C ATOM 0 H THR A 11 1.026 8.619 0.558 1.00 0.00 H new ATOM 0 HA THR A 11 1.650 7.025 2.848 1.00 0.00 H new ATOM 0 HB THR A 11 3.998 7.161 1.943 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.975 8.347 -0.415 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.529 5.855 -0.100 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.484 5.362 1.253 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.833 6.390 -0.046 1.00 0.00 H new ATOM 161 N LEU A 12 2.546 8.612 4.509 1.00 0.00 N ATOM 162 CA LEU A 12 3.053 9.520 5.533 1.00 0.00 C ATOM 163 C LEU A 12 4.530 9.237 5.832 1.00 0.00 C ATOM 164 O LEU A 12 5.201 10.050 6.469 1.00 0.00 O ATOM 165 CB LEU A 12 2.223 9.396 6.815 1.00 0.00 C ATOM 166 CG LEU A 12 0.711 9.572 6.634 1.00 0.00 C ATOM 167 CD1 LEU A 12 -0.013 9.352 7.954 1.00 0.00 C ATOM 168 CD2 LEU A 12 0.392 10.951 6.072 1.00 0.00 C ATOM 0 H LEU A 12 2.197 7.724 4.870 1.00 0.00 H new ATOM 0 HA LEU A 12 2.968 10.539 5.154 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.408 8.416 7.255 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.576 10.139 7.530 1.00 0.00 H new ATOM 0 HG LEU A 12 0.363 8.825 5.921 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.085 9.481 7.807 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.185 8.342 8.314 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.342 10.075 8.689 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.686 11.054 5.952 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.756 11.716 6.758 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.878 11.071 5.104 1.00 0.00 H new ATOM 180 N PHE A 13 5.031 8.077 5.374 1.00 0.00 N ATOM 181 CA PHE A 13 6.424 7.684 5.599 1.00 0.00 C ATOM 182 C PHE A 13 6.941 6.846 4.424 1.00 0.00 C ATOM 183 O PHE A 13 6.152 6.251 3.687 1.00 0.00 O ATOM 184 CB PHE A 13 6.544 6.882 6.900 1.00 0.00 C ATOM 185 CG PHE A 13 6.114 7.643 8.125 1.00 0.00 C ATOM 186 CD1 PHE A 13 7.010 8.453 8.804 1.00 0.00 C ATOM 187 CD2 PHE A 13 4.813 7.549 8.596 1.00 0.00 C ATOM 188 CE1 PHE A 13 6.617 9.156 9.927 1.00 0.00 C ATOM 189 CE2 PHE A 13 4.415 8.249 9.718 1.00 0.00 C ATOM 190 CZ PHE A 13 5.318 9.054 10.385 1.00 0.00 C ATOM 0 H PHE A 13 4.486 7.396 4.845 1.00 0.00 H new ATOM 0 HA PHE A 13 7.028 8.588 5.680 1.00 0.00 H new ATOM 0 HB2 PHE A 13 5.941 5.978 6.815 1.00 0.00 H new ATOM 0 HB3 PHE A 13 7.579 6.564 7.026 1.00 0.00 H new ATOM 0 HD1 PHE A 13 8.027 8.536 8.451 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.103 6.921 8.079 1.00 0.00 H new ATOM 0 HE1 PHE A 13 7.325 9.785 10.446 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.399 8.167 10.074 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.009 9.602 11.263 1.00 0.00 H new ATOM 200 N PRO A 14 8.276 6.788 4.233 1.00 0.00 N ATOM 201 CA PRO A 14 8.894 6.025 3.149 1.00 0.00 C ATOM 202 C PRO A 14 9.105 4.555 3.517 1.00 0.00 C ATOM 203 O PRO A 14 9.263 4.215 4.692 1.00 0.00 O ATOM 204 CB PRO A 14 10.253 6.718 2.949 1.00 0.00 C ATOM 205 CG PRO A 14 10.379 7.739 4.044 1.00 0.00 C ATOM 206 CD PRO A 14 9.290 7.460 5.044 1.00 0.00 C ATOM 0 HA PRO A 14 8.267 6.013 2.257 1.00 0.00 H new ATOM 0 HB2 PRO A 14 11.067 5.995 2.998 1.00 0.00 H new ATOM 0 HB3 PRO A 14 10.306 7.192 1.969 1.00 0.00 H new ATOM 0 HG2 PRO A 14 11.359 7.677 4.516 1.00 0.00 H new ATOM 0 HG3 PRO A 14 10.282 8.748 3.642 1.00 0.00 H new ATOM 0 HD2 PRO A 14 9.641 6.828 5.860 1.00 0.00 H new ATOM 0 HD3 PRO A 14 8.908 8.377 5.493 1.00 0.00 H new ATOM 214 N TYR A 15 9.103 3.690 2.501 1.00 0.00 N ATOM 215 CA TYR A 15 9.287 2.255 2.698 1.00 0.00 C ATOM 216 C TYR A 15 10.073 1.635 1.541 1.00 0.00 C ATOM 217 O TYR A 15 9.741 1.840 0.373 1.00 0.00 O ATOM 218 CB TYR A 15 7.928 1.567 2.821 1.00 0.00 C ATOM 219 CG TYR A 15 8.010 0.058 2.880 1.00 0.00 C ATOM 220 CD1 TYR A 15 8.578 -0.582 3.974 1.00 0.00 C ATOM 221 CD2 TYR A 15 7.511 -0.725 1.847 1.00 0.00 C ATOM 222 CE1 TYR A 15 8.645 -1.958 4.038 1.00 0.00 C ATOM 223 CE2 TYR A 15 7.577 -2.104 1.903 1.00 0.00 C ATOM 224 CZ TYR A 15 8.143 -2.714 3.002 1.00 0.00 C ATOM 225 OH TYR A 15 8.202 -4.085 3.067 1.00 0.00 O ATOM 0 H TYR A 15 8.975 3.964 1.527 1.00 0.00 H new ATOM 0 HA TYR A 15 9.855 2.111 3.617 1.00 0.00 H new ATOM 0 HB2 TYR A 15 7.428 1.930 3.719 1.00 0.00 H new ATOM 0 HB3 TYR A 15 7.308 1.855 1.972 1.00 0.00 H new ATOM 0 HD1 TYR A 15 8.974 0.008 4.788 1.00 0.00 H new ATOM 0 HD2 TYR A 15 7.065 -0.249 0.987 1.00 0.00 H new ATOM 0 HE1 TYR A 15 9.089 -2.440 4.896 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.188 -2.700 1.091 1.00 0.00 H new ATOM 0 HH TYR A 15 7.319 -4.460 2.868 1.00 0.00 H new ATOM 235 N THR A 16 11.107 0.868 1.877 1.00 0.00 N ATOM 236 CA THR A 16 11.931 0.205 0.871 1.00 0.00 C ATOM 237 C THR A 16 11.701 -1.306 0.901 1.00 0.00 C ATOM 238 O THR A 16 11.710 -1.920 1.971 1.00 0.00 O ATOM 239 CB THR A 16 13.431 0.502 1.084 1.00 0.00 C ATOM 240 OG1 THR A 16 13.647 1.918 1.154 1.00 0.00 O ATOM 241 CG2 THR A 16 14.270 -0.086 -0.043 1.00 0.00 C ATOM 0 H THR A 16 11.394 0.690 2.839 1.00 0.00 H new ATOM 0 HA THR A 16 11.636 0.598 -0.102 1.00 0.00 H new ATOM 0 HB THR A 16 13.737 0.039 2.022 1.00 0.00 H new ATOM 0 HG1 THR A 16 14.601 2.097 1.291 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.322 0.138 0.132 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.129 -1.166 -0.076 1.00 0.00 H new ATOM 0 HG23 THR A 16 13.960 0.349 -0.993 1.00 0.00 H new ATOM 249 N GLY A 17 11.493 -1.901 -0.278 1.00 0.00 N ATOM 250 CA GLY A 17 11.253 -3.332 -0.366 1.00 0.00 C ATOM 251 C GLY A 17 12.524 -4.146 -0.537 1.00 0.00 C ATOM 252 O GLY A 17 13.533 -3.645 -1.040 1.00 0.00 O ATOM 0 H GLY A 17 11.487 -1.413 -1.174 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.737 -3.663 0.535 1.00 0.00 H new ATOM 0 HA3 GLY A 17 10.587 -3.531 -1.206 1.00 0.00 H new ATOM 256 N THR A 18 12.464 -5.405 -0.113 1.00 0.00 N ATOM 257 CA THR A 18 13.616 -6.304 -0.204 1.00 0.00 C ATOM 258 C THR A 18 13.390 -7.471 -1.174 1.00 0.00 C ATOM 259 O THR A 18 14.211 -8.387 -1.250 1.00 0.00 O ATOM 260 CB THR A 18 13.990 -6.875 1.179 1.00 0.00 C ATOM 261 OG1 THR A 18 12.885 -7.602 1.730 1.00 0.00 O ATOM 262 CG2 THR A 18 14.396 -5.760 2.130 1.00 0.00 C ATOM 0 H THR A 18 11.631 -5.828 0.297 1.00 0.00 H new ATOM 0 HA THR A 18 14.433 -5.694 -0.590 1.00 0.00 H new ATOM 0 HB THR A 18 14.836 -7.550 1.051 1.00 0.00 H new ATOM 0 HG1 THR A 18 13.134 -7.961 2.607 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.656 -6.185 3.099 1.00 0.00 H new ATOM 0 HG22 THR A 18 15.258 -5.231 1.723 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.566 -5.064 2.250 1.00 0.00 H new ATOM 270 N ASN A 19 12.278 -7.432 -1.919 1.00 0.00 N ATOM 271 CA ASN A 19 11.945 -8.480 -2.882 1.00 0.00 C ATOM 272 C ASN A 19 11.292 -7.885 -4.131 1.00 0.00 C ATOM 273 O ASN A 19 10.818 -6.746 -4.113 1.00 0.00 O ATOM 274 CB ASN A 19 11.000 -9.503 -2.247 1.00 0.00 C ATOM 275 CG ASN A 19 11.663 -10.310 -1.147 1.00 0.00 C ATOM 276 OD1 ASN A 19 12.257 -11.358 -1.402 1.00 0.00 O ATOM 277 ND2 ASN A 19 11.565 -9.829 0.089 1.00 0.00 N ATOM 0 H ASN A 19 11.592 -6.679 -1.870 1.00 0.00 H new ATOM 0 HA ASN A 19 12.871 -8.976 -3.174 1.00 0.00 H new ATOM 0 HB2 ASN A 19 10.132 -8.985 -1.839 1.00 0.00 H new ATOM 0 HB3 ASN A 19 10.634 -10.180 -3.018 1.00 0.00 H new ATOM 0 HD21 ASN A 19 11.991 -10.332 0.867 1.00 0.00 H new ATOM 0 HD22 ASN A 19 11.064 -8.957 0.259 1.00 0.00 H new ATOM 284 N GLU A 20 11.269 -8.665 -5.213 1.00 0.00 N ATOM 285 CA GLU A 20 10.673 -8.225 -6.476 1.00 0.00 C ATOM 286 C GLU A 20 9.141 -8.129 -6.380 1.00 0.00 C ATOM 287 O GLU A 20 8.502 -7.523 -7.242 1.00 0.00 O ATOM 288 CB GLU A 20 11.073 -9.177 -7.607 1.00 0.00 C ATOM 289 CG GLU A 20 10.708 -8.668 -8.993 1.00 0.00 C ATOM 290 CD GLU A 20 11.313 -9.511 -10.102 1.00 0.00 C ATOM 291 OE1 GLU A 20 10.680 -10.512 -10.499 1.00 0.00 O ATOM 292 OE2 GLU A 20 12.417 -9.167 -10.572 1.00 0.00 O ATOM 0 H GLU A 20 11.658 -9.608 -5.240 1.00 0.00 H new ATOM 0 HA GLU A 20 11.054 -7.227 -6.693 1.00 0.00 H new ATOM 0 HB2 GLU A 20 12.149 -9.347 -7.564 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.592 -10.141 -7.445 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.623 -8.659 -9.099 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.047 -7.637 -9.099 1.00 0.00 H new ATOM 299 N ASP A 21 8.560 -8.718 -5.330 1.00 0.00 N ATOM 300 CA ASP A 21 7.112 -8.692 -5.134 1.00 0.00 C ATOM 301 C ASP A 21 6.713 -7.546 -4.204 1.00 0.00 C ATOM 302 O ASP A 21 5.672 -6.916 -4.389 1.00 0.00 O ATOM 303 CB ASP A 21 6.638 -10.026 -4.548 1.00 0.00 C ATOM 304 CG ASP A 21 6.920 -11.196 -5.473 1.00 0.00 C ATOM 305 OD1 ASP A 21 8.039 -11.746 -5.409 1.00 0.00 O ATOM 306 OD2 ASP A 21 6.022 -11.560 -6.262 1.00 0.00 O ATOM 0 H ASP A 21 9.073 -9.218 -4.604 1.00 0.00 H new ATOM 0 HA ASP A 21 6.637 -8.535 -6.102 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.132 -10.195 -3.591 1.00 0.00 H new ATOM 0 HB3 ASP A 21 5.568 -9.973 -4.349 1.00 0.00 H new ATOM 311 N GLU A 22 7.565 -7.283 -3.206 1.00 0.00 N ATOM 312 CA GLU A 22 7.332 -6.227 -2.226 1.00 0.00 C ATOM 313 C GLU A 22 7.430 -4.850 -2.881 1.00 0.00 C ATOM 314 O GLU A 22 8.267 -4.630 -3.758 1.00 0.00 O ATOM 315 CB GLU A 22 8.353 -6.353 -1.094 1.00 0.00 C ATOM 316 CG GLU A 22 7.938 -5.673 0.197 1.00 0.00 C ATOM 317 CD GLU A 22 8.753 -6.155 1.384 1.00 0.00 C ATOM 318 OE1 GLU A 22 9.929 -5.749 1.501 1.00 0.00 O ATOM 319 OE2 GLU A 22 8.216 -6.941 2.191 1.00 0.00 O ATOM 0 H GLU A 22 8.433 -7.798 -3.059 1.00 0.00 H new ATOM 0 HA GLU A 22 6.326 -6.334 -1.820 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.529 -7.410 -0.894 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.301 -5.929 -1.426 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.055 -4.594 0.092 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.881 -5.863 0.383 1.00 0.00 H new ATOM 326 N LEU A 23 6.578 -3.923 -2.443 1.00 0.00 N ATOM 327 CA LEU A 23 6.562 -2.575 -3.004 1.00 0.00 C ATOM 328 C LEU A 23 7.602 -1.665 -2.350 1.00 0.00 C ATOM 329 O LEU A 23 7.941 -1.831 -1.176 1.00 0.00 O ATOM 330 CB LEU A 23 5.165 -1.954 -2.889 1.00 0.00 C ATOM 331 CG LEU A 23 4.408 -1.828 -4.215 1.00 0.00 C ATOM 332 CD1 LEU A 23 2.986 -1.341 -3.979 1.00 0.00 C ATOM 333 CD2 LEU A 23 5.144 -0.886 -5.159 1.00 0.00 C ATOM 0 H LEU A 23 5.893 -4.081 -1.704 1.00 0.00 H new ATOM 0 HA LEU A 23 6.823 -2.667 -4.058 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.570 -2.557 -2.203 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.258 -0.963 -2.444 1.00 0.00 H new ATOM 0 HG LEU A 23 4.359 -2.814 -4.677 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.466 -1.259 -4.934 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.460 -2.050 -3.340 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.011 -0.365 -3.494 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.594 -0.807 -6.097 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.223 0.100 -4.701 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.143 -1.276 -5.356 1.00 0.00 H new ATOM 345 N THR A 24 8.103 -0.705 -3.127 1.00 0.00 N ATOM 346 CA THR A 24 9.086 0.261 -2.640 1.00 0.00 C ATOM 347 C THR A 24 8.623 1.674 -2.980 1.00 0.00 C ATOM 348 O THR A 24 8.320 1.966 -4.138 1.00 0.00 O ATOM 349 CB THR A 24 10.477 0.017 -3.262 1.00 0.00 C ATOM 350 OG1 THR A 24 10.934 -1.302 -2.941 1.00 0.00 O ATOM 351 CG2 THR A 24 11.487 1.041 -2.765 1.00 0.00 C ATOM 0 H THR A 24 7.841 -0.576 -4.104 1.00 0.00 H new ATOM 0 HA THR A 24 9.170 0.140 -1.560 1.00 0.00 H new ATOM 0 HB THR A 24 10.385 0.119 -4.343 1.00 0.00 H new ATOM 0 HG1 THR A 24 11.816 -1.449 -3.341 1.00 0.00 H new ATOM 0 HG21 THR A 24 12.458 0.845 -3.220 1.00 0.00 H new ATOM 0 HG22 THR A 24 11.154 2.042 -3.038 1.00 0.00 H new ATOM 0 HG23 THR A 24 11.573 0.970 -1.681 1.00 0.00 H new ATOM 359 N PHE A 25 8.571 2.555 -1.980 1.00 0.00 N ATOM 360 CA PHE A 25 8.129 3.931 -2.201 1.00 0.00 C ATOM 361 C PHE A 25 8.724 4.884 -1.165 1.00 0.00 C ATOM 362 O PHE A 25 9.218 4.453 -0.124 1.00 0.00 O ATOM 363 CB PHE A 25 6.598 4.004 -2.141 1.00 0.00 C ATOM 364 CG PHE A 25 6.008 3.493 -0.854 1.00 0.00 C ATOM 365 CD1 PHE A 25 5.866 4.331 0.241 1.00 0.00 C ATOM 366 CD2 PHE A 25 5.595 2.174 -0.742 1.00 0.00 C ATOM 367 CE1 PHE A 25 5.321 3.865 1.422 1.00 0.00 C ATOM 368 CE2 PHE A 25 5.051 1.702 0.437 1.00 0.00 C ATOM 369 CZ PHE A 25 4.913 2.548 1.520 1.00 0.00 C ATOM 0 H PHE A 25 8.828 2.342 -1.016 1.00 0.00 H new ATOM 0 HA PHE A 25 8.477 4.238 -3.187 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.289 5.039 -2.284 1.00 0.00 H new ATOM 0 HB3 PHE A 25 6.185 3.430 -2.971 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.185 5.360 0.170 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.700 1.508 -1.586 1.00 0.00 H new ATOM 0 HE1 PHE A 25 5.214 4.529 2.267 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.734 0.672 0.512 1.00 0.00 H new ATOM 0 HZ PHE A 25 4.487 2.181 2.442 1.00 0.00 H new ATOM 379 N ARG A 26 8.676 6.180 -1.460 1.00 0.00 N ATOM 380 CA ARG A 26 9.170 7.198 -0.537 1.00 0.00 C ATOM 381 C ARG A 26 7.993 7.988 0.033 1.00 0.00 C ATOM 382 O ARG A 26 6.878 7.908 -0.489 1.00 0.00 O ATOM 383 CB ARG A 26 10.163 8.132 -1.238 1.00 0.00 C ATOM 384 CG ARG A 26 11.595 7.612 -1.239 1.00 0.00 C ATOM 385 CD ARG A 26 11.726 6.314 -2.022 1.00 0.00 C ATOM 386 NE ARG A 26 13.076 5.753 -1.943 1.00 0.00 N ATOM 387 CZ ARG A 26 13.476 4.671 -2.615 1.00 0.00 C ATOM 388 NH1 ARG A 26 12.638 4.032 -3.428 1.00 0.00 N ATOM 389 NH2 ARG A 26 14.721 4.226 -2.475 1.00 0.00 N ATOM 0 H ARG A 26 8.299 6.551 -2.332 1.00 0.00 H new ATOM 0 HA ARG A 26 9.697 6.707 0.282 1.00 0.00 H new ATOM 0 HB2 ARG A 26 9.840 8.284 -2.268 1.00 0.00 H new ATOM 0 HB3 ARG A 26 10.140 9.106 -0.749 1.00 0.00 H new ATOM 0 HG2 ARG A 26 12.254 8.365 -1.671 1.00 0.00 H new ATOM 0 HG3 ARG A 26 11.924 7.452 -0.212 1.00 0.00 H new ATOM 0 HD2 ARG A 26 11.010 5.587 -1.639 1.00 0.00 H new ATOM 0 HD3 ARG A 26 11.470 6.494 -3.066 1.00 0.00 H new ATOM 0 HE ARG A 26 13.753 6.217 -1.337 1.00 0.00 H new ATOM 0 HH11 ARG A 26 11.682 4.368 -3.542 1.00 0.00 H new ATOM 0 HH12 ARG A 26 12.952 3.206 -3.938 1.00 0.00 H new ATOM 0 HH21 ARG A 26 15.369 4.711 -1.855 1.00 0.00 H new ATOM 0 HH22 ARG A 26 15.028 3.399 -2.988 1.00 0.00 H new ATOM 403 N GLU A 27 8.233 8.747 1.103 1.00 0.00 N ATOM 404 CA GLU A 27 7.174 9.535 1.735 1.00 0.00 C ATOM 405 C GLU A 27 6.615 10.578 0.767 1.00 0.00 C ATOM 406 O GLU A 27 7.364 11.197 0.008 1.00 0.00 O ATOM 407 CB GLU A 27 7.694 10.211 3.004 1.00 0.00 C ATOM 408 CG GLU A 27 6.606 10.866 3.838 1.00 0.00 C ATOM 409 CD GLU A 27 6.802 12.362 3.984 1.00 0.00 C ATOM 410 OE1 GLU A 27 6.348 13.110 3.093 1.00 0.00 O ATOM 411 OE2 GLU A 27 7.411 12.785 4.990 1.00 0.00 O ATOM 0 H GLU A 27 9.147 8.833 1.548 1.00 0.00 H new ATOM 0 HA GLU A 27 6.366 8.856 2.007 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.210 9.470 3.614 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.431 10.965 2.727 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.636 10.674 3.379 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.587 10.408 4.827 1.00 0.00 H new ATOM 418 N GLY A 28 5.295 10.767 0.808 1.00 0.00 N ATOM 419 CA GLY A 28 4.650 11.715 -0.084 1.00 0.00 C ATOM 420 C GLY A 28 4.403 11.099 -1.446 1.00 0.00 C ATOM 421 O GLY A 28 5.170 11.326 -2.384 1.00 0.00 O ATOM 0 H GLY A 28 4.663 10.280 1.443 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.704 12.041 0.349 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.274 12.602 -0.190 1.00 0.00 H new ATOM 425 N GLU A 29 3.328 10.314 -1.550 1.00 0.00 N ATOM 426 CA GLU A 29 2.972 9.623 -2.786 1.00 0.00 C ATOM 427 C GLU A 29 1.662 8.858 -2.590 1.00 0.00 C ATOM 428 O GLU A 29 1.528 8.087 -1.639 1.00 0.00 O ATOM 429 CB GLU A 29 4.076 8.639 -3.191 1.00 0.00 C ATOM 430 CG GLU A 29 4.369 8.629 -4.685 1.00 0.00 C ATOM 431 CD GLU A 29 3.123 8.431 -5.528 1.00 0.00 C ATOM 432 OE1 GLU A 29 2.685 7.272 -5.680 1.00 0.00 O ATOM 433 OE2 GLU A 29 2.584 9.437 -6.038 1.00 0.00 O ATOM 0 H GLU A 29 2.682 10.141 -0.779 1.00 0.00 H new ATOM 0 HA GLU A 29 2.853 10.365 -3.575 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.990 8.890 -2.652 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.788 7.635 -2.880 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.845 9.569 -4.963 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.081 7.834 -4.905 1.00 0.00 H new ATOM 440 N ILE A 30 0.700 9.066 -3.485 1.00 0.00 N ATOM 441 CA ILE A 30 -0.597 8.400 -3.374 1.00 0.00 C ATOM 442 C ILE A 30 -0.584 7.045 -4.074 1.00 0.00 C ATOM 443 O ILE A 30 -0.231 6.940 -5.250 1.00 0.00 O ATOM 444 CB ILE A 30 -1.735 9.260 -3.970 1.00 0.00 C ATOM 445 CG1 ILE A 30 -1.753 10.654 -3.331 1.00 0.00 C ATOM 446 CG2 ILE A 30 -3.083 8.571 -3.787 1.00 0.00 C ATOM 447 CD1 ILE A 30 -1.940 10.635 -1.829 1.00 0.00 C ATOM 0 H ILE A 30 0.791 9.686 -4.290 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.781 8.257 -2.309 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.550 9.375 -5.038 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.818 11.163 -3.565 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.555 11.239 -3.780 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.870 9.193 -4.213 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.070 7.605 -4.292 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.274 8.422 -2.724 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.942 11.657 -1.450 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.889 10.156 -1.586 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.124 10.078 -1.368 1.00 0.00 H new ATOM 459 N ILE A 31 -0.977 6.010 -3.329 1.00 0.00 N ATOM 460 CA ILE A 31 -0.998 4.646 -3.848 1.00 0.00 C ATOM 461 C ILE A 31 -2.432 4.140 -4.004 1.00 0.00 C ATOM 462 O ILE A 31 -3.339 4.605 -3.309 1.00 0.00 O ATOM 463 CB ILE A 31 -0.227 3.687 -2.907 1.00 0.00 C ATOM 464 CG1 ILE A 31 1.171 4.241 -2.606 1.00 0.00 C ATOM 465 CG2 ILE A 31 -0.127 2.294 -3.517 1.00 0.00 C ATOM 466 CD1 ILE A 31 1.946 3.421 -1.595 1.00 0.00 C ATOM 0 H ILE A 31 -1.286 6.094 -2.361 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.515 4.664 -4.825 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.780 3.611 -1.971 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.740 4.290 -3.534 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.076 5.262 -2.236 1.00 0.00 H new ATOM 0 HG21 ILE A 31 0.418 1.638 -2.839 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.128 1.896 -3.680 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.401 2.351 -4.469 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.924 3.873 -1.433 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.399 3.393 -0.653 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.074 2.406 -1.971 1.00 0.00 H new ATOM 478 N HIS A 32 -2.634 3.187 -4.908 1.00 0.00 N ATOM 479 CA HIS A 32 -3.961 2.619 -5.126 1.00 0.00 C ATOM 480 C HIS A 32 -4.141 1.385 -4.245 1.00 0.00 C ATOM 481 O HIS A 32 -3.375 0.427 -4.350 1.00 0.00 O ATOM 482 CB HIS A 32 -4.173 2.259 -6.600 1.00 0.00 C ATOM 483 CG HIS A 32 -5.599 1.954 -6.940 1.00 0.00 C ATOM 484 ND1 HIS A 32 -6.250 0.815 -6.512 1.00 0.00 N ATOM 485 CD2 HIS A 32 -6.505 2.650 -7.666 1.00 0.00 C ATOM 486 CE1 HIS A 32 -7.492 0.825 -6.960 1.00 0.00 C ATOM 487 NE2 HIS A 32 -7.673 1.929 -7.662 1.00 0.00 N ATOM 0 H HIS A 32 -1.901 2.793 -5.498 1.00 0.00 H new ATOM 0 HA HIS A 32 -4.707 3.367 -4.857 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -3.828 3.086 -7.221 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -3.556 1.395 -6.848 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -6.339 3.597 -8.157 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -8.234 0.060 -6.783 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -8.540 2.201 -8.126 1.00 0.00 H new ATOM 496 N LEU A 33 -5.156 1.413 -3.379 1.00 0.00 N ATOM 497 CA LEU A 33 -5.412 0.299 -2.464 1.00 0.00 C ATOM 498 C LEU A 33 -6.198 -0.813 -3.156 1.00 0.00 C ATOM 499 O LEU A 33 -7.349 -0.621 -3.554 1.00 0.00 O ATOM 500 CB LEU A 33 -6.173 0.793 -1.226 1.00 0.00 C ATOM 501 CG LEU A 33 -6.086 -0.111 0.009 1.00 0.00 C ATOM 502 CD1 LEU A 33 -6.700 0.579 1.218 1.00 0.00 C ATOM 503 CD2 LEU A 33 -6.775 -1.444 -0.245 1.00 0.00 C ATOM 0 H LEU A 33 -5.811 2.190 -3.292 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.451 -0.109 -2.152 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.795 1.780 -0.959 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.223 0.915 -1.492 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.033 -0.304 0.214 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.630 -0.077 2.086 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.163 1.506 1.419 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.748 0.803 1.016 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.700 -2.068 0.646 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.825 -1.272 -0.480 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.294 -1.948 -1.083 1.00 0.00 H new ATOM 515 N ILE A 34 -5.559 -1.974 -3.296 1.00 0.00 N ATOM 516 CA ILE A 34 -6.174 -3.126 -3.947 1.00 0.00 C ATOM 517 C ILE A 34 -6.902 -4.017 -2.935 1.00 0.00 C ATOM 518 O ILE A 34 -8.055 -4.394 -3.151 1.00 0.00 O ATOM 519 CB ILE A 34 -5.124 -3.966 -4.719 1.00 0.00 C ATOM 520 CG1 ILE A 34 -4.340 -3.088 -5.706 1.00 0.00 C ATOM 521 CG2 ILE A 34 -5.792 -5.121 -5.452 1.00 0.00 C ATOM 522 CD1 ILE A 34 -5.197 -2.474 -6.794 1.00 0.00 C ATOM 0 H ILE A 34 -4.609 -2.140 -2.964 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.902 -2.736 -4.658 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.422 -4.377 -3.993 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.845 -2.290 -5.153 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.557 -3.689 -6.169 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.037 -5.697 -5.987 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.298 -5.765 -4.732 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.520 -4.729 -6.162 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.572 -1.869 -7.451 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.672 -3.266 -7.373 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.964 -1.845 -6.342 1.00 0.00 H new ATOM 534 N SER A 35 -6.224 -4.349 -1.832 1.00 0.00 N ATOM 535 CA SER A 35 -6.814 -5.197 -0.793 1.00 0.00 C ATOM 536 C SER A 35 -6.163 -4.943 0.568 1.00 0.00 C ATOM 537 O SER A 35 -4.937 -4.879 0.674 1.00 0.00 O ATOM 538 CB SER A 35 -6.660 -6.673 -1.168 1.00 0.00 C ATOM 539 OG SER A 35 -7.234 -7.516 -0.182 1.00 0.00 O ATOM 0 H SER A 35 -5.270 -4.045 -1.636 1.00 0.00 H new ATOM 0 HA SER A 35 -7.872 -4.947 -0.719 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.137 -6.858 -2.131 1.00 0.00 H new ATOM 0 HB3 SER A 35 -5.603 -6.913 -1.285 1.00 0.00 H new ATOM 0 HG SER A 35 -7.123 -8.453 -0.448 1.00 0.00 H new ATOM 545 N LYS A 36 -6.989 -4.804 1.609 1.00 0.00 N ATOM 546 CA LYS A 36 -6.479 -4.566 2.961 1.00 0.00 C ATOM 547 C LYS A 36 -6.107 -5.882 3.658 1.00 0.00 C ATOM 548 O LYS A 36 -5.428 -5.871 4.685 1.00 0.00 O ATOM 549 CB LYS A 36 -7.495 -3.788 3.803 1.00 0.00 C ATOM 550 CG LYS A 36 -7.738 -2.368 3.312 1.00 0.00 C ATOM 551 CD LYS A 36 -8.430 -1.518 4.367 1.00 0.00 C ATOM 552 CE LYS A 36 -9.816 -2.050 4.702 1.00 0.00 C ATOM 553 NZ LYS A 36 -10.461 -1.268 5.794 1.00 0.00 N ATOM 0 H LYS A 36 -8.006 -4.852 1.542 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.575 -3.964 2.866 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.441 -4.329 3.806 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.146 -3.751 4.835 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.787 -1.909 3.041 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.348 -2.395 2.409 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.822 -1.494 5.271 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.511 -0.491 4.010 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.443 -2.016 3.811 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.742 -3.096 4.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.403 -1.661 5.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.875 -1.321 6.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.555 -0.275 5.501 1.00 0.00 H new ATOM 567 N GLU A 37 -6.554 -7.010 3.098 1.00 0.00 N ATOM 568 CA GLU A 37 -6.245 -8.325 3.648 1.00 0.00 C ATOM 569 C GLU A 37 -5.414 -9.116 2.640 1.00 0.00 C ATOM 570 O GLU A 37 -5.960 -9.859 1.821 1.00 0.00 O ATOM 571 CB GLU A 37 -7.517 -9.084 4.031 1.00 0.00 C ATOM 572 CG GLU A 37 -7.268 -10.227 5.004 1.00 0.00 C ATOM 573 CD GLU A 37 -8.549 -10.835 5.538 1.00 0.00 C ATOM 574 OE1 GLU A 37 -9.161 -10.232 6.445 1.00 0.00 O ATOM 575 OE2 GLU A 37 -8.941 -11.917 5.050 1.00 0.00 O ATOM 0 H GLU A 37 -7.134 -7.034 2.259 1.00 0.00 H new ATOM 0 HA GLU A 37 -5.665 -8.194 4.562 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.228 -8.387 4.475 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.981 -9.480 3.128 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.684 -11.001 4.506 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.669 -9.863 5.839 1.00 0.00 H new ATOM 582 N THR A 38 -4.094 -8.946 2.692 1.00 0.00 N ATOM 583 CA THR A 38 -3.197 -9.626 1.757 1.00 0.00 C ATOM 584 C THR A 38 -2.752 -11.005 2.259 1.00 0.00 C ATOM 585 O THR A 38 -1.936 -11.667 1.614 1.00 0.00 O ATOM 586 CB THR A 38 -1.949 -8.767 1.471 1.00 0.00 C ATOM 587 OG1 THR A 38 -1.188 -8.585 2.672 1.00 0.00 O ATOM 588 CG2 THR A 38 -2.344 -7.410 0.910 1.00 0.00 C ATOM 0 H THR A 38 -3.622 -8.346 3.369 1.00 0.00 H new ATOM 0 HA THR A 38 -3.768 -9.770 0.840 1.00 0.00 H new ATOM 0 HB THR A 38 -1.341 -9.289 0.732 1.00 0.00 H new ATOM 0 HG1 THR A 38 -0.232 -8.649 2.466 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.447 -6.821 0.716 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.896 -7.547 -0.020 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.972 -6.887 1.631 1.00 0.00 H new ATOM 596 N GLY A 39 -3.286 -11.438 3.405 1.00 0.00 N ATOM 597 CA GLY A 39 -2.914 -12.730 3.959 1.00 0.00 C ATOM 598 C GLY A 39 -2.146 -12.605 5.269 1.00 0.00 C ATOM 599 O GLY A 39 -2.009 -13.577 6.012 1.00 0.00 O ATOM 0 H GLY A 39 -3.968 -10.916 3.956 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.813 -13.323 4.124 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.305 -13.270 3.235 1.00 0.00 H new ATOM 603 N GLU A 40 -1.657 -11.391 5.540 1.00 0.00 N ATOM 604 CA GLU A 40 -0.920 -11.078 6.760 1.00 0.00 C ATOM 605 C GLU A 40 -1.529 -9.836 7.404 1.00 0.00 C ATOM 606 O GLU A 40 -1.652 -8.795 6.757 1.00 0.00 O ATOM 607 CB GLU A 40 0.562 -10.830 6.456 1.00 0.00 C ATOM 608 CG GLU A 40 1.475 -11.999 6.796 1.00 0.00 C ATOM 609 CD GLU A 40 1.300 -13.178 5.857 1.00 0.00 C ATOM 610 OE1 GLU A 40 1.757 -13.087 4.699 1.00 0.00 O ATOM 611 OE2 GLU A 40 0.709 -14.192 6.283 1.00 0.00 O ATOM 0 H GLU A 40 -1.764 -10.595 4.912 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.990 -11.926 7.442 1.00 0.00 H new ATOM 0 HB2 GLU A 40 0.669 -10.596 5.397 1.00 0.00 H new ATOM 0 HB3 GLU A 40 0.893 -9.952 7.011 1.00 0.00 H new ATOM 0 HG2 GLU A 40 2.512 -11.665 6.762 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.277 -12.323 7.818 1.00 0.00 H new ATOM 618 N ALA A 41 -1.918 -9.951 8.676 1.00 0.00 N ATOM 619 CA ALA A 41 -2.520 -8.830 9.395 1.00 0.00 C ATOM 620 C ALA A 41 -1.629 -7.593 9.316 1.00 0.00 C ATOM 621 O ALA A 41 -0.406 -7.691 9.440 1.00 0.00 O ATOM 622 CB ALA A 41 -2.789 -9.208 10.845 1.00 0.00 C ATOM 0 H ALA A 41 -1.827 -10.805 9.226 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.472 -8.592 8.920 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.237 -8.361 11.365 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.472 -10.057 10.879 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.851 -9.477 11.331 1.00 0.00 H new ATOM 628 N GLY A 42 -2.248 -6.431 9.110 1.00 0.00 N ATOM 629 CA GLY A 42 -1.492 -5.194 9.010 1.00 0.00 C ATOM 630 C GLY A 42 -0.768 -5.025 7.682 1.00 0.00 C ATOM 631 O GLY A 42 0.095 -4.158 7.562 1.00 0.00 O ATOM 0 H GLY A 42 -3.258 -6.325 9.011 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.169 -4.352 9.154 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.762 -5.158 9.819 1.00 0.00 H new ATOM 635 N TRP A 43 -1.102 -5.852 6.687 1.00 0.00 N ATOM 636 CA TRP A 43 -0.478 -5.758 5.370 1.00 0.00 C ATOM 637 C TRP A 43 -1.522 -5.427 4.314 1.00 0.00 C ATOM 638 O TRP A 43 -2.601 -6.024 4.282 1.00 0.00 O ATOM 639 CB TRP A 43 0.243 -7.060 5.009 1.00 0.00 C ATOM 640 CG TRP A 43 1.570 -7.214 5.688 1.00 0.00 C ATOM 641 CD1 TRP A 43 1.795 -7.677 6.952 1.00 0.00 C ATOM 642 CD2 TRP A 43 2.856 -6.902 5.139 1.00 0.00 C ATOM 643 NE1 TRP A 43 3.142 -7.676 7.222 1.00 0.00 N ATOM 644 CE2 TRP A 43 3.815 -7.204 6.125 1.00 0.00 C ATOM 645 CE3 TRP A 43 3.292 -6.398 3.910 1.00 0.00 C ATOM 646 CZ2 TRP A 43 5.180 -7.019 5.919 1.00 0.00 C ATOM 647 CZ3 TRP A 43 4.648 -6.214 3.706 1.00 0.00 C ATOM 648 CH2 TRP A 43 5.578 -6.525 4.706 1.00 0.00 C ATOM 0 H TRP A 43 -1.800 -6.591 6.771 1.00 0.00 H new ATOM 0 HA TRP A 43 0.261 -4.957 5.402 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -0.393 -7.904 5.275 1.00 0.00 H new ATOM 0 HB3 TRP A 43 0.389 -7.098 3.930 1.00 0.00 H new ATOM 0 HD1 TRP A 43 1.026 -7.997 7.640 1.00 0.00 H new ATOM 0 HE1 TRP A 43 3.572 -7.977 8.097 1.00 0.00 H new ATOM 0 HE3 TRP A 43 2.582 -6.156 3.133 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 5.899 -7.257 6.689 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 4.995 -5.824 2.760 1.00 0.00 H new ATOM 0 HH2 TRP A 43 6.630 -6.372 4.516 1.00 0.00 H new ATOM 659 N TRP A 44 -1.180 -4.489 3.435 1.00 0.00 N ATOM 660 CA TRP A 44 -2.080 -4.063 2.367 1.00 0.00 C ATOM 661 C TRP A 44 -1.428 -4.299 1.012 1.00 0.00 C ATOM 662 O TRP A 44 -0.218 -4.488 0.925 1.00 0.00 O ATOM 663 CB TRP A 44 -2.426 -2.576 2.518 1.00 0.00 C ATOM 664 CG TRP A 44 -3.410 -2.279 3.612 1.00 0.00 C ATOM 665 CD1 TRP A 44 -3.877 -3.141 4.562 1.00 0.00 C ATOM 666 CD2 TRP A 44 -4.046 -1.022 3.863 1.00 0.00 C ATOM 667 NE1 TRP A 44 -4.764 -2.497 5.388 1.00 0.00 N ATOM 668 CE2 TRP A 44 -4.886 -1.195 4.979 1.00 0.00 C ATOM 669 CE3 TRP A 44 -3.987 0.233 3.253 1.00 0.00 C ATOM 670 CZ2 TRP A 44 -5.659 -0.160 5.496 1.00 0.00 C ATOM 671 CZ3 TRP A 44 -4.756 1.261 3.767 1.00 0.00 C ATOM 672 CH2 TRP A 44 -5.582 1.058 4.879 1.00 0.00 C ATOM 0 H TRP A 44 -0.281 -4.007 3.442 1.00 0.00 H new ATOM 0 HA TRP A 44 -2.997 -4.648 2.435 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.509 -2.019 2.709 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.829 -2.211 1.573 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -3.590 -4.178 4.651 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -5.253 -2.919 6.178 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.352 0.398 2.395 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -6.297 -0.313 6.354 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -4.719 2.236 3.303 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -6.171 1.881 5.257 1.00 0.00 H new ATOM 683 N LYS A 45 -2.236 -4.281 -0.045 1.00 0.00 N ATOM 684 CA LYS A 45 -1.734 -4.484 -1.398 1.00 0.00 C ATOM 685 C LYS A 45 -2.139 -3.316 -2.279 1.00 0.00 C ATOM 686 O LYS A 45 -3.315 -2.964 -2.342 1.00 0.00 O ATOM 687 CB LYS A 45 -2.252 -5.801 -1.986 1.00 0.00 C ATOM 688 CG LYS A 45 -1.161 -6.844 -2.167 1.00 0.00 C ATOM 689 CD LYS A 45 -1.714 -8.159 -2.691 1.00 0.00 C ATOM 690 CE LYS A 45 -0.607 -9.185 -2.884 1.00 0.00 C ATOM 691 NZ LYS A 45 -1.123 -10.478 -3.414 1.00 0.00 N ATOM 0 H LYS A 45 -3.243 -4.127 0.011 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.646 -4.541 -1.357 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.026 -6.204 -1.333 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.720 -5.602 -2.950 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.408 -6.466 -2.859 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.661 -7.015 -1.214 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.456 -8.548 -1.994 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.225 -7.989 -3.639 1.00 0.00 H new ATOM 0 HE2 LYS A 45 0.140 -8.786 -3.570 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.105 -9.359 -1.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.334 -11.146 -3.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.817 -10.874 -2.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.579 -10.318 -4.335 1.00 0.00 H new ATOM 705 N GLY A 46 -1.164 -2.717 -2.953 1.00 0.00 N ATOM 706 CA GLY A 46 -1.454 -1.582 -3.807 1.00 0.00 C ATOM 707 C GLY A 46 -0.616 -1.548 -5.068 1.00 0.00 C ATOM 708 O GLY A 46 0.212 -2.432 -5.302 1.00 0.00 O ATOM 0 H GLY A 46 -0.183 -2.995 -2.924 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.509 -1.603 -4.081 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.289 -0.663 -3.245 1.00 0.00 H new ATOM 712 N GLU A 47 -0.837 -0.518 -5.883 1.00 0.00 N ATOM 713 CA GLU A 47 -0.101 -0.348 -7.130 1.00 0.00 C ATOM 714 C GLU A 47 0.637 0.992 -7.134 1.00 0.00 C ATOM 715 O GLU A 47 0.042 2.041 -6.879 1.00 0.00 O ATOM 716 CB GLU A 47 -1.054 -0.445 -8.327 1.00 0.00 C ATOM 717 CG GLU A 47 -0.401 -1.018 -9.577 1.00 0.00 C ATOM 718 CD GLU A 47 0.007 0.052 -10.572 1.00 0.00 C ATOM 719 OE1 GLU A 47 0.819 0.926 -10.207 1.00 0.00 O ATOM 720 OE2 GLU A 47 -0.488 0.016 -11.718 1.00 0.00 O ATOM 0 H GLU A 47 -1.524 0.213 -5.699 1.00 0.00 H new ATOM 0 HA GLU A 47 0.637 -1.146 -7.212 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.906 -1.068 -8.054 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.444 0.548 -8.553 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.478 -1.595 -9.290 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.093 -1.710 -10.058 1.00 0.00 H new ATOM 727 N LEU A 48 1.934 0.941 -7.426 1.00 0.00 N ATOM 728 CA LEU A 48 2.779 2.132 -7.442 1.00 0.00 C ATOM 729 C LEU A 48 3.672 2.170 -8.678 1.00 0.00 C ATOM 730 O LEU A 48 4.596 1.361 -8.797 1.00 0.00 O ATOM 731 CB LEU A 48 3.669 2.144 -6.196 1.00 0.00 C ATOM 732 CG LEU A 48 4.556 3.381 -6.046 1.00 0.00 C ATOM 733 CD1 LEU A 48 3.803 4.494 -5.340 1.00 0.00 C ATOM 734 CD2 LEU A 48 5.833 3.032 -5.300 1.00 0.00 C ATOM 0 H LEU A 48 2.427 0.078 -7.657 1.00 0.00 H new ATOM 0 HA LEU A 48 2.124 3.003 -7.458 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.034 2.062 -5.314 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.305 1.259 -6.214 1.00 0.00 H new ATOM 0 HG LEU A 48 4.829 3.735 -7.040 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.450 5.366 -5.242 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.920 4.761 -5.920 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.498 4.156 -4.350 1.00 0.00 H new ATOM 0 HD21 LEU A 48 6.452 3.924 -5.202 1.00 0.00 H new ATOM 0 HD22 LEU A 48 5.583 2.653 -4.309 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.380 2.269 -5.853 1.00 0.00 H new ATOM 746 N ASN A 49 3.405 3.106 -9.597 1.00 0.00 N ATOM 747 CA ASN A 49 4.218 3.223 -10.812 1.00 0.00 C ATOM 748 C ASN A 49 4.373 1.876 -11.527 1.00 0.00 C ATOM 749 O ASN A 49 5.444 1.551 -12.043 1.00 0.00 O ATOM 750 CB ASN A 49 5.586 3.842 -10.503 1.00 0.00 C ATOM 751 CG ASN A 49 5.486 5.169 -9.762 1.00 0.00 C ATOM 752 OD1 ASN A 49 6.317 5.470 -8.906 1.00 0.00 O ATOM 753 ND2 ASN A 49 4.478 5.975 -10.088 1.00 0.00 N ATOM 0 H ASN A 49 2.645 3.783 -9.525 1.00 0.00 H new ATOM 0 HA ASN A 49 3.689 3.891 -11.491 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.169 3.141 -9.905 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.129 3.993 -11.436 1.00 0.00 H new ATOM 0 HD21 ASN A 49 4.375 6.877 -9.623 1.00 0.00 H new ATOM 0 HD22 ASN A 49 3.808 5.691 -10.803 1.00 0.00 H new ATOM 760 N GLY A 50 3.284 1.099 -11.557 1.00 0.00 N ATOM 761 CA GLY A 50 3.286 -0.165 -12.269 1.00 0.00 C ATOM 762 C GLY A 50 3.637 -1.384 -11.440 1.00 0.00 C ATOM 763 O GLY A 50 3.476 -2.505 -11.926 1.00 0.00 O ATOM 0 H GLY A 50 2.402 1.328 -11.098 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.299 -0.317 -12.706 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.993 -0.094 -13.096 1.00 0.00 H new ATOM 767 N LYS A 51 4.112 -1.215 -10.202 1.00 0.00 N ATOM 768 CA LYS A 51 4.478 -2.367 -9.385 1.00 0.00 C ATOM 769 C LYS A 51 3.410 -2.671 -8.339 1.00 0.00 C ATOM 770 O LYS A 51 2.993 -1.793 -7.578 1.00 0.00 O ATOM 771 CB LYS A 51 5.825 -2.127 -8.694 1.00 0.00 C ATOM 772 CG LYS A 51 7.003 -2.012 -9.652 1.00 0.00 C ATOM 773 CD LYS A 51 7.023 -0.665 -10.363 1.00 0.00 C ATOM 774 CE LYS A 51 8.265 -0.503 -11.229 1.00 0.00 C ATOM 775 NZ LYS A 51 8.313 -1.502 -12.335 1.00 0.00 N ATOM 0 H LYS A 51 4.249 -0.309 -9.754 1.00 0.00 H new ATOM 0 HA LYS A 51 4.561 -3.227 -10.049 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.760 -1.213 -8.103 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.015 -2.944 -7.998 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.934 -2.146 -9.101 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.951 -2.812 -10.390 1.00 0.00 H new ATOM 0 HD2 LYS A 51 6.132 -0.568 -10.983 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.987 0.136 -9.625 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.285 0.503 -11.649 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.155 -0.607 -10.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.109 -1.282 -12.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.440 -2.454 -11.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 7.424 -1.467 -12.873 1.00 0.00 H new ATOM 789 N GLU A 52 2.975 -3.929 -8.314 1.00 0.00 N ATOM 790 CA GLU A 52 1.957 -4.390 -7.371 1.00 0.00 C ATOM 791 C GLU A 52 2.582 -5.256 -6.281 1.00 0.00 C ATOM 792 O GLU A 52 3.475 -6.059 -6.564 1.00 0.00 O ATOM 793 CB GLU A 52 0.862 -5.188 -8.100 1.00 0.00 C ATOM 794 CG GLU A 52 1.370 -6.102 -9.209 1.00 0.00 C ATOM 795 CD GLU A 52 1.608 -5.367 -10.518 1.00 0.00 C ATOM 796 OE1 GLU A 52 0.622 -4.897 -11.125 1.00 0.00 O ATOM 797 OE2 GLU A 52 2.780 -5.263 -10.935 1.00 0.00 O ATOM 0 H GLU A 52 3.316 -4.655 -8.944 1.00 0.00 H new ATOM 0 HA GLU A 52 1.507 -3.511 -6.910 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.324 -5.791 -7.369 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.144 -4.487 -8.526 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.299 -6.573 -8.888 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.648 -6.902 -9.373 1.00 0.00 H new ATOM 804 N GLY A 53 2.125 -5.100 -5.041 1.00 0.00 N ATOM 805 CA GLY A 53 2.669 -5.903 -3.958 1.00 0.00 C ATOM 806 C GLY A 53 2.109 -5.530 -2.600 1.00 0.00 C ATOM 807 O GLY A 53 1.270 -4.633 -2.488 1.00 0.00 O ATOM 0 H GLY A 53 1.396 -4.440 -4.768 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.460 -6.955 -4.154 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.753 -5.791 -3.940 1.00 0.00 H new ATOM 811 N VAL A 54 2.586 -6.217 -1.563 1.00 0.00 N ATOM 812 CA VAL A 54 2.135 -5.959 -0.196 1.00 0.00 C ATOM 813 C VAL A 54 2.997 -4.865 0.440 1.00 0.00 C ATOM 814 O VAL A 54 4.195 -4.774 0.161 1.00 0.00 O ATOM 815 CB VAL A 54 2.177 -7.241 0.673 1.00 0.00 C ATOM 816 CG1 VAL A 54 1.247 -8.304 0.104 1.00 0.00 C ATOM 817 CG2 VAL A 54 3.596 -7.784 0.789 1.00 0.00 C ATOM 0 H VAL A 54 3.284 -6.956 -1.643 1.00 0.00 H new ATOM 0 HA VAL A 54 1.098 -5.625 -0.244 1.00 0.00 H new ATOM 0 HB VAL A 54 1.835 -6.976 1.674 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.290 -9.197 0.728 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.226 -7.923 0.086 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.558 -8.555 -0.910 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.592 -8.683 1.405 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.975 -8.026 -0.204 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.237 -7.032 1.249 1.00 0.00 H new ATOM 827 N PHE A 55 2.382 -4.043 1.297 1.00 0.00 N ATOM 828 CA PHE A 55 3.110 -2.957 1.952 1.00 0.00 C ATOM 829 C PHE A 55 2.738 -2.795 3.434 1.00 0.00 C ATOM 830 O PHE A 55 1.620 -3.103 3.861 1.00 0.00 O ATOM 831 CB PHE A 55 2.951 -1.638 1.181 1.00 0.00 C ATOM 832 CG PHE A 55 1.540 -1.143 1.043 1.00 0.00 C ATOM 833 CD1 PHE A 55 0.756 -1.531 -0.031 1.00 0.00 C ATOM 834 CD2 PHE A 55 1.010 -0.269 1.976 1.00 0.00 C ATOM 835 CE1 PHE A 55 -0.533 -1.059 -0.169 1.00 0.00 C ATOM 836 CE2 PHE A 55 -0.280 0.205 1.845 1.00 0.00 C ATOM 837 CZ PHE A 55 -1.053 -0.189 0.772 1.00 0.00 C ATOM 0 H PHE A 55 1.396 -4.109 1.549 1.00 0.00 H new ATOM 0 HA PHE A 55 4.164 -3.234 1.934 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.541 -0.870 1.681 1.00 0.00 H new ATOM 0 HB3 PHE A 55 3.373 -1.765 0.184 1.00 0.00 H new ATOM 0 HD1 PHE A 55 1.158 -2.210 -0.768 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.612 0.046 2.816 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.135 -1.368 -1.011 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.684 0.884 2.582 1.00 0.00 H new ATOM 0 HZ PHE A 55 -2.062 0.181 0.667 1.00 0.00 H new ATOM 847 N PRO A 56 3.720 -2.290 4.210 1.00 0.00 N ATOM 848 CA PRO A 56 3.666 -2.079 5.664 1.00 0.00 C ATOM 849 C PRO A 56 2.302 -1.778 6.293 1.00 0.00 C ATOM 850 O PRO A 56 1.941 -2.351 7.321 1.00 0.00 O ATOM 851 CB PRO A 56 4.534 -0.827 5.788 1.00 0.00 C ATOM 852 CG PRO A 56 5.631 -1.065 4.813 1.00 0.00 C ATOM 853 CD PRO A 56 5.039 -1.880 3.694 1.00 0.00 C ATOM 0 HA PRO A 56 3.964 -2.990 6.183 1.00 0.00 H new ATOM 0 HB2 PRO A 56 3.972 0.076 5.547 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.917 -0.703 6.801 1.00 0.00 H new ATOM 0 HG2 PRO A 56 6.028 -0.122 4.438 1.00 0.00 H new ATOM 0 HG3 PRO A 56 6.459 -1.595 5.283 1.00 0.00 H new ATOM 0 HD2 PRO A 56 4.945 -1.294 2.780 1.00 0.00 H new ATOM 0 HD3 PRO A 56 5.661 -2.743 3.457 1.00 0.00 H new ATOM 861 N ASP A 57 1.582 -0.830 5.660 1.00 0.00 N ATOM 862 CA ASP A 57 0.256 -0.353 6.094 1.00 0.00 C ATOM 863 C ASP A 57 0.367 0.869 7.022 1.00 0.00 C ATOM 864 O ASP A 57 -0.437 1.797 6.931 1.00 0.00 O ATOM 865 CB ASP A 57 -0.577 -1.459 6.766 1.00 0.00 C ATOM 866 CG ASP A 57 -1.882 -0.939 7.340 1.00 0.00 C ATOM 867 OD1 ASP A 57 -2.633 -0.269 6.603 1.00 0.00 O ATOM 868 OD2 ASP A 57 -2.146 -1.192 8.536 1.00 0.00 O ATOM 0 H ASP A 57 1.914 -0.366 4.815 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.268 -0.051 5.187 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.791 -2.241 6.038 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.009 -1.917 7.563 1.00 0.00 H new ATOM 873 N ASN A 58 1.367 0.859 7.907 1.00 0.00 N ATOM 874 CA ASN A 58 1.583 1.954 8.864 1.00 0.00 C ATOM 875 C ASN A 58 2.239 3.189 8.227 1.00 0.00 C ATOM 876 O ASN A 58 2.394 4.218 8.891 1.00 0.00 O ATOM 877 CB ASN A 58 2.445 1.462 10.027 1.00 0.00 C ATOM 878 CG ASN A 58 1.762 0.368 10.828 1.00 0.00 C ATOM 879 OD1 ASN A 58 0.536 0.334 10.934 1.00 0.00 O ATOM 880 ND2 ASN A 58 2.552 -0.535 11.397 1.00 0.00 N ATOM 0 H ASN A 58 2.045 0.101 7.983 1.00 0.00 H new ATOM 0 HA ASN A 58 0.599 2.261 9.219 1.00 0.00 H new ATOM 0 HB2 ASN A 58 3.393 1.088 9.641 1.00 0.00 H new ATOM 0 HB3 ASN A 58 2.677 2.300 10.685 1.00 0.00 H new ATOM 0 HD21 ASN A 58 2.147 -1.293 11.947 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.564 -0.471 11.285 1.00 0.00 H new ATOM 887 N PHE A 59 2.615 3.097 6.952 1.00 0.00 N ATOM 888 CA PHE A 59 3.263 4.212 6.260 1.00 0.00 C ATOM 889 C PHE A 59 2.295 4.999 5.366 1.00 0.00 C ATOM 890 O PHE A 59 2.729 5.858 4.597 1.00 0.00 O ATOM 891 CB PHE A 59 4.427 3.695 5.416 1.00 0.00 C ATOM 892 CG PHE A 59 5.529 3.059 6.220 1.00 0.00 C ATOM 893 CD1 PHE A 59 5.947 3.608 7.422 1.00 0.00 C ATOM 894 CD2 PHE A 59 6.146 1.909 5.768 1.00 0.00 C ATOM 895 CE1 PHE A 59 6.960 3.019 8.154 1.00 0.00 C ATOM 896 CE2 PHE A 59 7.160 1.315 6.494 1.00 0.00 C ATOM 897 CZ PHE A 59 7.568 1.871 7.688 1.00 0.00 C ATOM 0 H PHE A 59 2.483 2.264 6.378 1.00 0.00 H new ATOM 0 HA PHE A 59 3.625 4.894 7.029 1.00 0.00 H new ATOM 0 HB2 PHE A 59 4.048 2.967 4.699 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.842 4.523 4.841 1.00 0.00 H new ATOM 0 HD1 PHE A 59 5.475 4.507 7.791 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.831 1.468 4.834 1.00 0.00 H new ATOM 0 HE1 PHE A 59 7.276 3.456 9.090 1.00 0.00 H new ATOM 0 HE2 PHE A 59 7.633 0.416 6.127 1.00 0.00 H new ATOM 0 HZ PHE A 59 8.361 1.409 8.257 1.00 0.00 H new ATOM 907 N ALA A 60 0.993 4.716 5.462 1.00 0.00 N ATOM 908 CA ALA A 60 -0.001 5.426 4.661 1.00 0.00 C ATOM 909 C ALA A 60 -1.308 5.607 5.431 1.00 0.00 C ATOM 910 O ALA A 60 -1.652 4.792 6.291 1.00 0.00 O ATOM 911 CB ALA A 60 -0.250 4.693 3.349 1.00 0.00 C ATOM 0 H ALA A 60 0.607 4.005 6.083 1.00 0.00 H new ATOM 0 HA ALA A 60 0.394 6.417 4.438 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.993 5.235 2.765 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.681 4.631 2.785 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.616 3.688 3.558 1.00 0.00 H new ATOM 917 N VAL A 61 -2.029 6.682 5.111 1.00 0.00 N ATOM 918 CA VAL A 61 -3.302 6.985 5.760 1.00 0.00 C ATOM 919 C VAL A 61 -4.452 6.889 4.756 1.00 0.00 C ATOM 920 O VAL A 61 -4.392 7.464 3.667 1.00 0.00 O ATOM 921 CB VAL A 61 -3.287 8.387 6.413 1.00 0.00 C ATOM 922 CG1 VAL A 61 -3.078 9.480 5.371 1.00 0.00 C ATOM 923 CG2 VAL A 61 -4.568 8.631 7.199 1.00 0.00 C ATOM 0 H VAL A 61 -1.750 7.360 4.402 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.452 6.247 6.548 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.447 8.421 7.107 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.072 10.454 5.861 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.125 9.323 4.865 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.887 9.446 4.641 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.535 9.623 7.649 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.425 8.565 6.528 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.663 7.880 7.983 1.00 0.00 H new ATOM 933 N GLN A 62 -5.493 6.151 5.136 1.00 0.00 N ATOM 934 CA GLN A 62 -6.688 6.002 4.310 1.00 0.00 C ATOM 935 C GLN A 62 -7.666 7.140 4.613 1.00 0.00 C ATOM 936 O GLN A 62 -7.916 7.450 5.780 1.00 0.00 O ATOM 937 CB GLN A 62 -7.351 4.648 4.591 1.00 0.00 C ATOM 938 CG GLN A 62 -8.570 4.362 3.726 1.00 0.00 C ATOM 939 CD GLN A 62 -9.160 2.989 3.988 1.00 0.00 C ATOM 940 OE1 GLN A 62 -8.797 2.011 3.334 1.00 0.00 O ATOM 941 NE2 GLN A 62 -10.075 2.907 4.949 1.00 0.00 N ATOM 0 H GLN A 62 -5.532 5.643 6.019 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.407 6.044 3.258 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -6.617 3.857 4.438 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.646 4.611 5.640 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -9.329 5.122 3.912 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -8.292 4.440 2.675 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -10.347 3.743 5.467 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -10.505 2.008 5.168 1.00 0.00 H new ATOM 950 N ILE A 63 -8.214 7.760 3.562 1.00 0.00 N ATOM 951 CA ILE A 63 -9.162 8.866 3.735 1.00 0.00 C ATOM 952 C ILE A 63 -10.336 8.456 4.628 1.00 0.00 C ATOM 953 O ILE A 63 -10.808 9.249 5.443 1.00 0.00 O ATOM 954 CB ILE A 63 -9.696 9.388 2.379 1.00 0.00 C ATOM 955 CG1 ILE A 63 -8.543 9.906 1.509 1.00 0.00 C ATOM 956 CG2 ILE A 63 -10.733 10.485 2.595 1.00 0.00 C ATOM 957 CD1 ILE A 63 -7.758 11.036 2.143 1.00 0.00 C ATOM 0 H ILE A 63 -8.020 7.517 2.591 1.00 0.00 H new ATOM 0 HA ILE A 63 -8.613 9.673 4.219 1.00 0.00 H new ATOM 0 HB ILE A 63 -10.176 8.558 1.860 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -7.864 9.081 1.293 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.945 10.246 0.555 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -11.096 10.838 1.630 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -11.568 10.088 3.173 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -10.278 11.314 3.137 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.961 11.348 1.469 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -8.423 11.879 2.334 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -7.325 10.695 3.084 1.00 0.00 H new ATOM 969 N SER A 64 -10.799 7.213 4.472 1.00 0.00 N ATOM 970 CA SER A 64 -11.917 6.709 5.265 1.00 0.00 C ATOM 971 C SER A 64 -11.452 6.313 6.667 1.00 0.00 C ATOM 972 O SER A 64 -10.705 5.317 6.787 1.00 0.00 O ATOM 973 CB SER A 64 -12.577 5.516 4.568 1.00 0.00 C ATOM 974 OG SER A 64 -13.702 5.056 5.298 1.00 0.00 O ATOM 975 OXT SER A 64 -11.836 7.003 7.633 1.00 0.00 O ATOM 0 H SER A 64 -10.417 6.541 3.806 1.00 0.00 H new ATOM 0 HA SER A 64 -12.653 7.508 5.359 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.885 5.803 3.563 1.00 0.00 H new ATOM 0 HB3 SER A 64 -11.854 4.708 4.461 1.00 0.00 H new ATOM 0 HG SER A 64 -14.106 4.295 4.831 1.00 0.00 H new TER 981 SER A 64