USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 960 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 103 ASN : amide:sc= 0 K(o=-0.18,f=1.5) USER MOD Set 1.2: A 106 ASN : amide:sc= -0.175 K(o=-0.18,f=-0.96) USER MOD Set 2.1: A 15 HIS : no HE2:sc= -1.04 X(o=-1.1,f=-1) USER MOD Set 2.2: A 89 THR OG1 : rot 180:sc= -0.0709 USER MOD Set 3.1: A 74 ASN : amide:sc= -4.32! C(o=-4.7!,f=-7.5!) USER MOD Set 3.2: A 77 ASN : amide:sc= -0.349 K(o=-4.7,f=-3.4) USER MOD Set 4.1: A 51 THR OG1 : rot 166:sc= 0.104 USER MOD Set 4.2: A 53 TYR OH : rot 30:sc= 0.117 USER MOD Set 5.1: A 33 LYS NZ :NH3+ -166:sc=-0.00645 (180deg=-0.179) USER MOD Set 5.2: A 37 ASN : amide:sc= -0.0792 X(o=-0.086,f=-0.29) USER MOD Set 6.1: A 24 SER OG : rot -29:sc= 1.24 USER MOD Set 6.2: A 27 ASN : amide:sc= -1.94! C(o=-0.7!,f=-8.3!) USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl -164:sc= -11.7! (180deg=-11.9!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -1.34! K(o=-1.3!,f=-0.01) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -90:sc= -0.756! USER MOD Single : A 39 ASN : amide:sc= -0.386 K(o=-0.39,f=-4.3!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.0111 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0.062) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 36:sc= 0.369 USER MOD Single : A 57 GLN : amide:sc= -1.56! C(o=-1.6!,f=-1.7!) USER MOD Single : A 59 ASN : amide:sc= -5.33! C(o=-5.3!,f=-8.7!) USER MOD Single : A 60 SER OG : rot -113:sc= 0.531 USER MOD Single : A 65 ASN : amide:sc= -0.929 K(o=-0.93,f=0) USER MOD Single : A 69 THR OG1 : rot 72:sc= 1.18 USER MOD Single : A 72 SER OG : rot -120:sc= 0.559 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -44:sc= 0.423 USER MOD Single : A 91 SER OG : rot 180:sc= -0.517 USER MOD Single : A 93 ASN : amide:sc= -1.81 K(o=-1.8,f=-0.36) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 178:sc= 0.415 (180deg=0.414) USER MOD Single : A 100 SER OG : rot 180:sc= -0.744 USER MOD Single : A 105 MET CE :methyl -144:sc= -1.26 (180deg=-4.27!) USER MOD Single : A 113 ASN : amide:sc= -0.0615 X(o=-0.062,f=0) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot -64:sc= 1.03 USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -6.690 -10.945 2.449 1.00 0.00 N ATOM 2 CA LYS A 1 -5.570 -11.509 1.650 1.00 0.00 C ATOM 3 C LYS A 1 -4.601 -10.416 1.210 1.00 0.00 C ATOM 4 O LYS A 1 -4.765 -9.821 0.147 1.00 0.00 O ATOM 5 CB LYS A 1 -6.154 -12.220 0.427 1.00 0.00 C ATOM 6 CG LYS A 1 -5.590 -13.615 0.209 1.00 0.00 C ATOM 7 CD LYS A 1 -5.823 -14.093 -1.215 1.00 0.00 C ATOM 8 CE LYS A 1 -4.516 -14.448 -1.904 1.00 0.00 C ATOM 9 NZ LYS A 1 -4.494 -15.865 -2.360 1.00 0.00 N ATOM 0 H1 LYS A 1 -7.333 -11.711 2.734 1.00 0.00 H new ATOM 0 H2 LYS A 1 -6.311 -10.477 3.297 1.00 0.00 H new ATOM 0 H3 LYS A 1 -7.211 -10.252 1.875 1.00 0.00 H new ATOM 0 HA LYS A 1 -5.011 -12.215 2.265 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -7.236 -12.288 0.538 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -5.962 -11.616 -0.460 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -4.521 -13.614 0.424 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -6.055 -14.310 0.908 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -6.478 -14.964 -1.205 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -6.335 -13.315 -1.782 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -4.366 -13.789 -2.759 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -3.686 -14.274 -1.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -3.586 -16.066 -2.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -4.611 -16.495 -1.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -5.270 -16.025 -3.034 1.00 0.00 H new ATOM 25 N VAL A 2 -3.593 -10.157 2.036 1.00 0.00 N ATOM 26 CA VAL A 2 -2.595 -9.137 1.737 1.00 0.00 C ATOM 27 C VAL A 2 -1.484 -9.704 0.851 1.00 0.00 C ATOM 28 O VAL A 2 -1.176 -10.895 0.915 1.00 0.00 O ATOM 29 CB VAL A 2 -1.984 -8.566 3.040 1.00 0.00 C ATOM 30 CG1 VAL A 2 -0.745 -7.733 2.755 1.00 0.00 C ATOM 31 CG2 VAL A 2 -3.013 -7.732 3.788 1.00 0.00 C ATOM 0 H VAL A 2 -3.445 -10.642 2.921 1.00 0.00 H new ATOM 0 HA VAL A 2 -3.096 -8.332 1.200 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.687 -9.410 3.663 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -0.342 -7.348 3.692 1.00 0.00 H new ATOM 0 HG12 VAL A 2 0.006 -8.353 2.265 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.009 -6.900 2.104 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -2.568 -7.338 4.701 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.339 -6.905 3.157 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -3.871 -8.355 4.042 1.00 0.00 H new ATOM 41 N PHE A 3 -0.877 -8.843 0.036 1.00 0.00 N ATOM 42 CA PHE A 3 0.207 -9.245 -0.848 1.00 0.00 C ATOM 43 C PHE A 3 1.479 -9.535 -0.061 1.00 0.00 C ATOM 44 O PHE A 3 1.603 -9.178 1.110 1.00 0.00 O ATOM 45 CB PHE A 3 0.515 -8.131 -1.851 1.00 0.00 C ATOM 46 CG PHE A 3 -0.260 -8.208 -3.130 1.00 0.00 C ATOM 47 CD1 PHE A 3 0.088 -9.118 -4.114 1.00 0.00 C ATOM 48 CD2 PHE A 3 -1.326 -7.356 -3.356 1.00 0.00 C ATOM 49 CE1 PHE A 3 -0.617 -9.178 -5.299 1.00 0.00 C ATOM 50 CE2 PHE A 3 -2.033 -7.408 -4.539 1.00 0.00 C ATOM 51 CZ PHE A 3 -1.679 -8.320 -5.513 1.00 0.00 C ATOM 0 H PHE A 3 -1.123 -7.855 -0.028 1.00 0.00 H new ATOM 0 HA PHE A 3 -0.116 -10.147 -1.367 1.00 0.00 H new ATOM 0 HB2 PHE A 3 0.315 -7.170 -1.378 1.00 0.00 H new ATOM 0 HB3 PHE A 3 1.579 -8.156 -2.085 1.00 0.00 H new ATOM 0 HD1 PHE A 3 0.920 -9.788 -3.953 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -1.608 -6.641 -2.597 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -0.339 -9.894 -6.058 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -2.862 -6.736 -4.703 1.00 0.00 H new ATOM 0 HZ PHE A 3 -2.231 -8.363 -6.440 1.00 0.00 H new ATOM 61 N GLY A 4 2.426 -10.162 -0.739 1.00 0.00 N ATOM 62 CA GLY A 4 3.702 -10.478 -0.131 1.00 0.00 C ATOM 63 C GLY A 4 4.722 -9.390 -0.396 1.00 0.00 C ATOM 64 O GLY A 4 4.663 -8.725 -1.429 1.00 0.00 O ATOM 0 H GLY A 4 2.333 -10.461 -1.710 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.574 -10.605 0.944 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.069 -11.427 -0.523 1.00 0.00 H new ATOM 68 N ARG A 5 5.652 -9.197 0.533 1.00 0.00 N ATOM 69 CA ARG A 5 6.675 -8.169 0.376 1.00 0.00 C ATOM 70 C ARG A 5 7.385 -8.311 -0.959 1.00 0.00 C ATOM 71 O ARG A 5 7.358 -7.396 -1.783 1.00 0.00 O ATOM 72 CB ARG A 5 7.685 -8.232 1.524 1.00 0.00 C ATOM 73 CG ARG A 5 8.030 -9.648 1.958 1.00 0.00 C ATOM 74 CD ARG A 5 8.801 -9.656 3.268 1.00 0.00 C ATOM 75 NE ARG A 5 8.867 -10.991 3.855 1.00 0.00 N ATOM 76 CZ ARG A 5 10.001 -11.657 4.050 1.00 0.00 C ATOM 77 NH1 ARG A 5 11.162 -11.113 3.705 1.00 0.00 N ATOM 78 NH2 ARG A 5 9.977 -12.867 4.591 1.00 0.00 N ATOM 0 H ARG A 5 5.719 -9.735 1.397 1.00 0.00 H new ATOM 0 HA ARG A 5 6.182 -7.197 0.401 1.00 0.00 H new ATOM 0 HB2 ARG A 5 8.599 -7.722 1.220 1.00 0.00 H new ATOM 0 HB3 ARG A 5 7.285 -7.687 2.379 1.00 0.00 H new ATOM 0 HG2 ARG A 5 7.114 -10.229 2.070 1.00 0.00 H new ATOM 0 HG3 ARG A 5 8.623 -10.133 1.183 1.00 0.00 H new ATOM 0 HD2 ARG A 5 9.811 -9.285 3.096 1.00 0.00 H new ATOM 0 HD3 ARG A 5 8.326 -8.973 3.972 1.00 0.00 H new ATOM 0 HE ARG A 5 7.993 -11.438 4.131 1.00 0.00 H new ATOM 0 HH11 ARG A 5 11.185 -10.182 3.289 1.00 0.00 H new ATOM 0 HH12 ARG A 5 12.031 -11.626 3.856 1.00 0.00 H new ATOM 0 HH21 ARG A 5 9.088 -13.289 4.858 1.00 0.00 H new ATOM 0 HH22 ARG A 5 10.848 -13.376 4.740 1.00 0.00 H new ATOM 92 N CYS A 6 8.012 -9.456 -1.180 1.00 0.00 N ATOM 93 CA CYS A 6 8.711 -9.690 -2.430 1.00 0.00 C ATOM 94 C CYS A 6 7.745 -10.147 -3.508 1.00 0.00 C ATOM 95 O CYS A 6 7.895 -9.782 -4.668 1.00 0.00 O ATOM 96 CB CYS A 6 9.820 -10.715 -2.259 1.00 0.00 C ATOM 97 SG CYS A 6 10.636 -10.670 -0.631 1.00 0.00 S ATOM 0 H CYS A 6 8.050 -10.230 -0.516 1.00 0.00 H new ATOM 0 HA CYS A 6 9.161 -8.746 -2.736 1.00 0.00 H new ATOM 0 HB2 CYS A 6 9.406 -11.711 -2.418 1.00 0.00 H new ATOM 0 HB3 CYS A 6 10.570 -10.554 -3.033 1.00 0.00 H new ATOM 102 N GLU A 7 6.747 -10.936 -3.121 1.00 0.00 N ATOM 103 CA GLU A 7 5.757 -11.412 -4.079 1.00 0.00 C ATOM 104 C GLU A 7 5.296 -10.243 -4.934 1.00 0.00 C ATOM 105 O GLU A 7 5.311 -10.304 -6.167 1.00 0.00 O ATOM 106 CB GLU A 7 4.567 -12.046 -3.357 1.00 0.00 C ATOM 107 CG GLU A 7 4.956 -13.174 -2.416 1.00 0.00 C ATOM 108 CD GLU A 7 5.377 -14.431 -3.154 1.00 0.00 C ATOM 109 OE1 GLU A 7 4.534 -15.007 -3.873 1.00 0.00 O ATOM 110 OE2 GLU A 7 6.550 -14.837 -3.015 1.00 0.00 O ATOM 0 H GLU A 7 6.604 -11.256 -2.163 1.00 0.00 H new ATOM 0 HA GLU A 7 6.207 -12.175 -4.714 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.044 -11.275 -2.790 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.865 -12.428 -4.098 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.773 -12.842 -1.776 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.114 -13.405 -1.764 1.00 0.00 H new ATOM 117 N LEU A 8 4.920 -9.161 -4.264 1.00 0.00 N ATOM 118 CA LEU A 8 4.489 -7.964 -4.955 1.00 0.00 C ATOM 119 C LEU A 8 5.663 -7.323 -5.682 1.00 0.00 C ATOM 120 O LEU A 8 5.499 -6.839 -6.797 1.00 0.00 O ATOM 121 CB LEU A 8 3.866 -6.950 -3.991 1.00 0.00 C ATOM 122 CG LEU A 8 3.741 -5.530 -4.558 1.00 0.00 C ATOM 123 CD1 LEU A 8 2.291 -5.199 -4.874 1.00 0.00 C ATOM 124 CD2 LEU A 8 4.325 -4.510 -3.592 1.00 0.00 C ATOM 0 H LEU A 8 4.907 -9.093 -3.246 1.00 0.00 H new ATOM 0 HA LEU A 8 3.728 -8.259 -5.678 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.875 -7.302 -3.703 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.467 -6.914 -3.083 1.00 0.00 H new ATOM 0 HG LEU A 8 4.310 -5.486 -5.487 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.228 -4.187 -5.275 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.909 -5.906 -5.611 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.696 -5.267 -3.963 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.226 -3.510 -4.015 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.789 -4.558 -2.644 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.379 -4.730 -3.424 1.00 0.00 H new ATOM 136 N ALA A 9 6.852 -7.329 -5.057 1.00 0.00 N ATOM 137 CA ALA A 9 8.029 -6.736 -5.686 1.00 0.00 C ATOM 138 C ALA A 9 8.315 -7.388 -7.029 1.00 0.00 C ATOM 139 O ALA A 9 8.437 -6.703 -8.044 1.00 0.00 O ATOM 140 CB ALA A 9 9.239 -6.834 -4.777 1.00 0.00 C ATOM 0 H ALA A 9 7.016 -7.731 -4.134 1.00 0.00 H new ATOM 0 HA ALA A 9 7.818 -5.681 -5.858 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.101 -6.385 -5.270 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.038 -6.306 -3.845 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.449 -7.882 -4.562 1.00 0.00 H new ATOM 146 N ALA A 10 8.403 -8.715 -7.038 1.00 0.00 N ATOM 147 CA ALA A 10 8.648 -9.445 -8.268 1.00 0.00 C ATOM 148 C ALA A 10 7.644 -9.003 -9.316 1.00 0.00 C ATOM 149 O ALA A 10 7.979 -8.837 -10.489 1.00 0.00 O ATOM 150 CB ALA A 10 8.554 -10.945 -8.030 1.00 0.00 C ATOM 0 H ALA A 10 8.308 -9.301 -6.208 1.00 0.00 H new ATOM 0 HA ALA A 10 9.656 -9.229 -8.622 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.741 -11.474 -8.964 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.296 -11.243 -7.290 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.557 -11.194 -7.665 1.00 0.00 H new ATOM 156 N ALA A 11 6.405 -8.791 -8.873 1.00 0.00 N ATOM 157 CA ALA A 11 5.354 -8.340 -9.767 1.00 0.00 C ATOM 158 C ALA A 11 5.660 -6.951 -10.287 1.00 0.00 C ATOM 159 O ALA A 11 5.432 -6.639 -11.454 1.00 0.00 O ATOM 160 CB ALA A 11 4.001 -8.375 -9.073 1.00 0.00 C ATOM 0 H ALA A 11 6.112 -8.925 -7.905 1.00 0.00 H new ATOM 0 HA ALA A 11 5.311 -9.021 -10.617 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.229 -8.033 -9.763 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.780 -9.395 -8.758 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.023 -7.722 -8.200 1.00 0.00 H new ATOM 166 N MET A 12 6.186 -6.136 -9.401 1.00 0.00 N ATOM 167 CA MET A 12 6.556 -4.760 -9.736 1.00 0.00 C ATOM 168 C MET A 12 7.542 -4.747 -10.892 1.00 0.00 C ATOM 169 O MET A 12 7.337 -4.058 -11.892 1.00 0.00 O ATOM 170 CB MET A 12 7.191 -4.051 -8.539 1.00 0.00 C ATOM 171 CG MET A 12 6.468 -4.273 -7.225 1.00 0.00 C ATOM 172 SD MET A 12 4.781 -3.645 -7.248 1.00 0.00 S ATOM 173 CE MET A 12 5.095 -1.901 -7.483 1.00 0.00 C ATOM 0 H MET A 12 6.372 -6.396 -8.432 1.00 0.00 H new ATOM 0 HA MET A 12 5.644 -4.234 -10.018 1.00 0.00 H new ATOM 0 HB2 MET A 12 8.221 -4.391 -8.435 1.00 0.00 H new ATOM 0 HB3 MET A 12 7.228 -2.981 -8.743 1.00 0.00 H new ATOM 0 HG2 MET A 12 6.452 -5.339 -6.999 1.00 0.00 H new ATOM 0 HG3 MET A 12 7.022 -3.786 -6.423 1.00 0.00 H new ATOM 0 HE1 MET A 12 4.197 -1.334 -7.239 1.00 0.00 H new ATOM 0 HE2 MET A 12 5.910 -1.587 -6.831 1.00 0.00 H new ATOM 0 HE3 MET A 12 5.370 -1.717 -8.522 1.00 0.00 H new ATOM 183 N LYS A 13 8.616 -5.520 -10.744 1.00 0.00 N ATOM 184 CA LYS A 13 9.642 -5.608 -11.773 1.00 0.00 C ATOM 185 C LYS A 13 9.008 -5.949 -13.110 1.00 0.00 C ATOM 186 O LYS A 13 9.340 -5.359 -14.138 1.00 0.00 O ATOM 187 CB LYS A 13 10.684 -6.666 -11.401 1.00 0.00 C ATOM 188 CG LYS A 13 12.116 -6.221 -11.650 1.00 0.00 C ATOM 189 CD LYS A 13 12.552 -6.522 -13.075 1.00 0.00 C ATOM 190 CE LYS A 13 14.033 -6.858 -13.144 1.00 0.00 C ATOM 191 NZ LYS A 13 14.467 -7.167 -14.535 1.00 0.00 N ATOM 0 H LYS A 13 8.796 -6.094 -9.920 1.00 0.00 H new ATOM 0 HA LYS A 13 10.141 -4.642 -11.851 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.570 -6.923 -10.348 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.489 -7.573 -11.973 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.204 -5.151 -11.459 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.782 -6.726 -10.950 1.00 0.00 H new ATOM 0 HD2 LYS A 13 11.970 -7.356 -13.466 1.00 0.00 H new ATOM 0 HD3 LYS A 13 12.343 -5.661 -13.710 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.614 -6.019 -12.760 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.242 -7.712 -12.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 15.483 -7.391 -14.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 13.931 -7.983 -14.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 14.291 -6.343 -15.145 1.00 0.00 H new ATOM 205 N ARG A 14 8.080 -6.898 -13.082 1.00 0.00 N ATOM 206 CA ARG A 14 7.384 -7.313 -14.287 1.00 0.00 C ATOM 207 C ARG A 14 6.551 -6.162 -14.828 1.00 0.00 C ATOM 208 O ARG A 14 6.480 -5.951 -16.039 1.00 0.00 O ATOM 209 CB ARG A 14 6.489 -8.520 -13.998 1.00 0.00 C ATOM 210 CG ARG A 14 7.161 -9.855 -14.279 1.00 0.00 C ATOM 211 CD ARG A 14 6.414 -11.003 -13.618 1.00 0.00 C ATOM 212 NE ARG A 14 5.220 -11.382 -14.369 1.00 0.00 N ATOM 213 CZ ARG A 14 5.199 -12.349 -15.283 1.00 0.00 C ATOM 214 NH1 ARG A 14 6.303 -13.030 -15.558 1.00 0.00 N ATOM 215 NH2 ARG A 14 4.072 -12.634 -15.921 1.00 0.00 N ATOM 0 H ARG A 14 7.794 -7.393 -12.237 1.00 0.00 H new ATOM 0 HA ARG A 14 8.122 -7.600 -15.036 1.00 0.00 H new ATOM 0 HB2 ARG A 14 6.180 -8.491 -12.953 1.00 0.00 H new ATOM 0 HB3 ARG A 14 5.584 -8.444 -14.601 1.00 0.00 H new ATOM 0 HG2 ARG A 14 7.207 -10.021 -15.355 1.00 0.00 H new ATOM 0 HG3 ARG A 14 8.188 -9.830 -13.916 1.00 0.00 H new ATOM 0 HD2 ARG A 14 7.076 -11.864 -13.531 1.00 0.00 H new ATOM 0 HD3 ARG A 14 6.130 -10.716 -12.606 1.00 0.00 H new ATOM 0 HE ARG A 14 4.354 -10.877 -14.182 1.00 0.00 H new ATOM 0 HH11 ARG A 14 7.171 -12.813 -15.068 1.00 0.00 H new ATOM 0 HH12 ARG A 14 6.284 -13.771 -16.259 1.00 0.00 H new ATOM 0 HH21 ARG A 14 3.221 -12.112 -15.711 1.00 0.00 H new ATOM 0 HH22 ARG A 14 4.056 -13.375 -16.622 1.00 0.00 H new ATOM 229 N HIS A 15 5.897 -5.434 -13.925 1.00 0.00 N ATOM 230 CA HIS A 15 5.042 -4.323 -14.312 1.00 0.00 C ATOM 231 C HIS A 15 5.848 -3.083 -14.682 1.00 0.00 C ATOM 232 O HIS A 15 5.281 -2.098 -15.156 1.00 0.00 O ATOM 233 CB HIS A 15 4.078 -3.987 -13.174 1.00 0.00 C ATOM 234 CG HIS A 15 2.817 -4.794 -13.195 1.00 0.00 C ATOM 235 ND1 HIS A 15 2.174 -5.214 -12.049 1.00 0.00 N ATOM 236 CD2 HIS A 15 2.076 -5.257 -14.230 1.00 0.00 C ATOM 237 CE1 HIS A 15 1.095 -5.899 -12.377 1.00 0.00 C ATOM 238 NE2 HIS A 15 1.011 -5.940 -13.695 1.00 0.00 N ATOM 0 H HIS A 15 5.946 -5.597 -12.919 1.00 0.00 H new ATOM 0 HA HIS A 15 4.483 -4.633 -15.195 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.585 -4.146 -12.222 1.00 0.00 H new ATOM 0 HB3 HIS A 15 3.822 -2.929 -13.227 1.00 0.00 H new ATOM 0 HD1 HIS A 15 2.484 -5.024 -11.096 1.00 0.00 H new ATOM 0 HD2 HIS A 15 2.284 -5.116 -15.280 1.00 0.00 H new ATOM 0 HE1 HIS A 15 0.399 -6.350 -11.685 1.00 0.00 H new ATOM 247 N GLY A 16 7.169 -3.136 -14.520 1.00 0.00 N ATOM 248 CA GLY A 16 7.999 -2.012 -14.906 1.00 0.00 C ATOM 249 C GLY A 16 8.078 -0.881 -13.895 1.00 0.00 C ATOM 250 O GLY A 16 8.389 0.245 -14.277 1.00 0.00 O ATOM 0 H GLY A 16 7.674 -3.932 -14.131 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.008 -2.377 -15.097 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.622 -1.610 -15.846 1.00 0.00 H new ATOM 254 N LEU A 17 7.806 -1.137 -12.613 1.00 0.00 N ATOM 255 CA LEU A 17 7.877 -0.058 -11.634 1.00 0.00 C ATOM 256 C LEU A 17 9.275 0.072 -11.059 1.00 0.00 C ATOM 257 O LEU A 17 9.576 1.011 -10.326 1.00 0.00 O ATOM 258 CB LEU A 17 6.867 -0.251 -10.498 1.00 0.00 C ATOM 259 CG LEU A 17 5.488 -0.798 -10.887 1.00 0.00 C ATOM 260 CD1 LEU A 17 4.415 -0.172 -10.013 1.00 0.00 C ATOM 261 CD2 LEU A 17 5.166 -0.546 -12.355 1.00 0.00 C ATOM 0 H LEU A 17 7.544 -2.050 -12.241 1.00 0.00 H new ATOM 0 HA LEU A 17 7.625 0.861 -12.163 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.306 -0.926 -9.764 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.725 0.709 -10.003 1.00 0.00 H new ATOM 0 HG LEU A 17 5.509 -1.877 -10.732 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.439 -0.566 -10.296 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.613 -0.410 -8.968 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.422 0.910 -10.147 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.180 -0.950 -12.586 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.173 0.526 -12.550 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.914 -1.034 -12.980 1.00 0.00 H new ATOM 273 N ASP A 18 10.124 -0.872 -11.399 1.00 0.00 N ATOM 274 CA ASP A 18 11.499 -0.863 -10.913 1.00 0.00 C ATOM 275 C ASP A 18 12.314 0.227 -11.605 1.00 0.00 C ATOM 276 O ASP A 18 12.863 0.026 -12.689 1.00 0.00 O ATOM 277 CB ASP A 18 12.150 -2.238 -11.097 1.00 0.00 C ATOM 278 CG ASP A 18 13.658 -2.161 -11.237 1.00 0.00 C ATOM 279 OD1 ASP A 18 14.326 -1.765 -10.258 1.00 0.00 O ATOM 280 OD2 ASP A 18 14.172 -2.497 -12.324 1.00 0.00 O ATOM 0 H ASP A 18 9.894 -1.657 -12.008 1.00 0.00 H new ATOM 0 HA ASP A 18 11.480 -0.640 -9.846 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.901 -2.870 -10.244 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.732 -2.717 -11.982 1.00 0.00 H new ATOM 285 N ASN A 19 12.374 1.384 -10.954 1.00 0.00 N ATOM 286 CA ASN A 19 13.107 2.543 -11.457 1.00 0.00 C ATOM 287 C ASN A 19 12.465 3.101 -12.707 1.00 0.00 C ATOM 288 O ASN A 19 13.143 3.608 -13.602 1.00 0.00 O ATOM 289 CB ASN A 19 14.575 2.193 -11.718 1.00 0.00 C ATOM 290 CG ASN A 19 15.488 3.395 -11.582 1.00 0.00 C ATOM 291 OD1 ASN A 19 15.789 4.075 -12.562 1.00 0.00 O ATOM 292 ND2 ASN A 19 15.936 3.662 -10.360 1.00 0.00 N ATOM 0 H ASN A 19 11.914 1.546 -10.058 1.00 0.00 H new ATOM 0 HA ASN A 19 13.069 3.313 -10.687 1.00 0.00 H new ATOM 0 HB2 ASN A 19 14.891 1.419 -11.019 1.00 0.00 H new ATOM 0 HB3 ASN A 19 14.674 1.777 -12.720 1.00 0.00 H new ATOM 0 HD21 ASN A 19 16.555 4.458 -10.206 1.00 0.00 H new ATOM 0 HD22 ASN A 19 15.661 3.071 -9.575 1.00 0.00 H new ATOM 299 N TYR A 20 11.147 3.037 -12.742 1.00 0.00 N ATOM 300 CA TYR A 20 10.405 3.573 -13.864 1.00 0.00 C ATOM 301 C TYR A 20 10.550 5.080 -13.825 1.00 0.00 C ATOM 302 O TYR A 20 11.018 5.607 -12.818 1.00 0.00 O ATOM 303 CB TYR A 20 8.930 3.174 -13.776 1.00 0.00 C ATOM 304 CG TYR A 20 8.117 3.560 -14.991 1.00 0.00 C ATOM 305 CD1 TYR A 20 8.276 2.892 -16.199 1.00 0.00 C ATOM 306 CD2 TYR A 20 7.190 4.592 -14.929 1.00 0.00 C ATOM 307 CE1 TYR A 20 7.534 3.243 -17.311 1.00 0.00 C ATOM 308 CE2 TYR A 20 6.444 4.948 -16.037 1.00 0.00 C ATOM 309 CZ TYR A 20 6.619 4.271 -17.224 1.00 0.00 C ATOM 310 OH TYR A 20 5.878 4.623 -18.329 1.00 0.00 O ATOM 0 H TYR A 20 10.572 2.621 -12.009 1.00 0.00 H new ATOM 0 HA TYR A 20 10.793 3.175 -14.801 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.863 2.095 -13.634 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.490 3.639 -12.894 1.00 0.00 H new ATOM 0 HD1 TYR A 20 8.991 2.086 -16.270 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.050 5.125 -14.000 1.00 0.00 H new ATOM 0 HE1 TYR A 20 7.670 2.715 -18.243 1.00 0.00 H new ATOM 0 HE2 TYR A 20 5.727 5.753 -15.972 1.00 0.00 H new ATOM 0 HH TYR A 20 5.280 5.364 -18.099 1.00 0.00 H new ATOM 320 N ARG A 21 10.189 5.763 -14.912 1.00 0.00 N ATOM 321 CA ARG A 21 10.305 7.217 -14.979 1.00 0.00 C ATOM 322 C ARG A 21 10.244 7.826 -13.581 1.00 0.00 C ATOM 323 O ARG A 21 10.930 8.802 -13.280 1.00 0.00 O ATOM 324 CB ARG A 21 9.192 7.799 -15.852 1.00 0.00 C ATOM 325 CG ARG A 21 9.699 8.726 -16.946 1.00 0.00 C ATOM 326 CD ARG A 21 9.066 8.400 -18.289 1.00 0.00 C ATOM 327 NE ARG A 21 9.521 7.115 -18.812 1.00 0.00 N ATOM 328 CZ ARG A 21 8.981 6.515 -19.869 1.00 0.00 C ATOM 329 NH1 ARG A 21 7.971 7.083 -20.514 1.00 0.00 N ATOM 330 NH2 ARG A 21 9.452 5.346 -20.282 1.00 0.00 N ATOM 0 H ARG A 21 9.814 5.331 -15.757 1.00 0.00 H new ATOM 0 HA ARG A 21 11.269 7.463 -15.424 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.635 6.981 -16.309 1.00 0.00 H new ATOM 0 HB3 ARG A 21 8.493 8.346 -15.219 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.478 9.760 -16.680 1.00 0.00 H new ATOM 0 HG3 ARG A 21 10.783 8.641 -17.023 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.981 8.385 -18.184 1.00 0.00 H new ATOM 0 HD3 ARG A 21 9.306 9.187 -19.003 1.00 0.00 H new ATOM 0 HE ARG A 21 10.297 6.651 -18.340 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.606 7.982 -20.200 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.559 6.621 -21.324 1.00 0.00 H new ATOM 0 HH21 ARG A 21 10.229 4.906 -19.789 1.00 0.00 H new ATOM 0 HH22 ARG A 21 9.037 4.887 -21.093 1.00 0.00 H new ATOM 344 N GLY A 22 9.415 7.222 -12.732 1.00 0.00 N ATOM 345 CA GLY A 22 9.265 7.686 -11.370 1.00 0.00 C ATOM 346 C GLY A 22 10.362 7.180 -10.453 1.00 0.00 C ATOM 347 O GLY A 22 11.419 7.802 -10.345 1.00 0.00 O ATOM 0 H GLY A 22 8.842 6.413 -12.970 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.264 8.776 -11.360 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.298 7.363 -10.985 1.00 0.00 H new ATOM 351 N TYR A 23 10.102 6.071 -9.756 1.00 0.00 N ATOM 352 CA TYR A 23 11.083 5.537 -8.816 1.00 0.00 C ATOM 353 C TYR A 23 11.328 4.041 -8.957 1.00 0.00 C ATOM 354 O TYR A 23 10.740 3.368 -9.803 1.00 0.00 O ATOM 355 CB TYR A 23 10.655 5.856 -7.386 1.00 0.00 C ATOM 356 CG TYR A 23 10.762 7.322 -7.035 1.00 0.00 C ATOM 357 CD1 TYR A 23 9.794 8.227 -7.456 1.00 0.00 C ATOM 358 CD2 TYR A 23 11.827 7.803 -6.286 1.00 0.00 C ATOM 359 CE1 TYR A 23 9.886 9.568 -7.142 1.00 0.00 C ATOM 360 CE2 TYR A 23 11.924 9.145 -5.966 1.00 0.00 C ATOM 361 CZ TYR A 23 10.952 10.022 -6.396 1.00 0.00 C ATOM 362 OH TYR A 23 11.047 11.358 -6.079 1.00 0.00 O ATOM 0 H TYR A 23 9.236 5.536 -9.824 1.00 0.00 H new ATOM 0 HA TYR A 23 12.028 6.024 -9.055 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.624 5.531 -7.243 1.00 0.00 H new ATOM 0 HB3 TYR A 23 11.270 5.280 -6.695 1.00 0.00 H new ATOM 0 HD1 TYR A 23 8.956 7.875 -8.039 1.00 0.00 H new ATOM 0 HD2 TYR A 23 12.591 7.119 -5.948 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.126 10.258 -7.479 1.00 0.00 H new ATOM 0 HE2 TYR A 23 12.758 9.504 -5.381 1.00 0.00 H new ATOM 0 HH TYR A 23 11.856 11.512 -5.548 1.00 0.00 H new ATOM 372 N SER A 24 12.235 3.545 -8.110 1.00 0.00 N ATOM 373 CA SER A 24 12.624 2.142 -8.104 1.00 0.00 C ATOM 374 C SER A 24 11.706 1.294 -7.234 1.00 0.00 C ATOM 375 O SER A 24 10.882 1.811 -6.481 1.00 0.00 O ATOM 376 CB SER A 24 14.068 2.000 -7.620 1.00 0.00 C ATOM 377 OG SER A 24 14.170 2.261 -6.231 1.00 0.00 O ATOM 0 H SER A 24 12.717 4.110 -7.411 1.00 0.00 H new ATOM 0 HA SER A 24 12.538 1.778 -9.128 1.00 0.00 H new ATOM 0 HB2 SER A 24 14.428 0.993 -7.831 1.00 0.00 H new ATOM 0 HB3 SER A 24 14.708 2.689 -8.170 1.00 0.00 H new ATOM 0 HG SER A 24 13.470 2.892 -5.964 1.00 0.00 H new ATOM 383 N LEU A 25 11.872 -0.018 -7.361 1.00 0.00 N ATOM 384 CA LEU A 25 11.092 -0.996 -6.617 1.00 0.00 C ATOM 385 C LEU A 25 10.918 -0.608 -5.148 1.00 0.00 C ATOM 386 O LEU A 25 9.794 -0.481 -4.666 1.00 0.00 O ATOM 387 CB LEU A 25 11.775 -2.357 -6.720 1.00 0.00 C ATOM 388 CG LEU A 25 11.127 -3.324 -7.699 1.00 0.00 C ATOM 389 CD1 LEU A 25 12.170 -4.253 -8.299 1.00 0.00 C ATOM 390 CD2 LEU A 25 10.034 -4.119 -7.006 1.00 0.00 C ATOM 0 H LEU A 25 12.559 -0.435 -7.990 1.00 0.00 H new ATOM 0 HA LEU A 25 10.095 -1.035 -7.055 1.00 0.00 H new ATOM 0 HB2 LEU A 25 12.813 -2.205 -7.015 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.788 -2.817 -5.732 1.00 0.00 H new ATOM 0 HG LEU A 25 10.676 -2.751 -8.509 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.689 -4.938 -8.997 1.00 0.00 H new ATOM 0 HD12 LEU A 25 12.920 -3.665 -8.827 1.00 0.00 H new ATOM 0 HD13 LEU A 25 12.650 -4.823 -7.504 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.578 -4.807 -7.717 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.464 -4.684 -6.179 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.275 -3.437 -6.624 1.00 0.00 H new ATOM 402 N GLY A 26 12.034 -0.451 -4.439 1.00 0.00 N ATOM 403 CA GLY A 26 11.988 -0.106 -3.025 1.00 0.00 C ATOM 404 C GLY A 26 10.969 0.971 -2.691 1.00 0.00 C ATOM 405 O GLY A 26 10.316 0.909 -1.651 1.00 0.00 O ATOM 0 H GLY A 26 12.974 -0.557 -4.820 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.758 -1.002 -2.449 1.00 0.00 H new ATOM 0 HA3 GLY A 26 12.976 0.231 -2.710 1.00 0.00 H new ATOM 409 N ASN A 27 10.838 1.963 -3.566 1.00 0.00 N ATOM 410 CA ASN A 27 9.896 3.057 -3.342 1.00 0.00 C ATOM 411 C ASN A 27 8.450 2.573 -3.430 1.00 0.00 C ATOM 412 O ASN A 27 7.575 3.073 -2.725 1.00 0.00 O ATOM 413 CB ASN A 27 10.138 4.178 -4.350 1.00 0.00 C ATOM 414 CG ASN A 27 11.609 4.511 -4.500 1.00 0.00 C ATOM 415 OD1 ASN A 27 12.290 3.985 -5.380 1.00 0.00 O ATOM 416 ND2 ASN A 27 12.109 5.390 -3.639 1.00 0.00 N ATOM 0 H ASN A 27 11.369 2.033 -4.434 1.00 0.00 H new ATOM 0 HA ASN A 27 10.062 3.440 -2.335 1.00 0.00 H new ATOM 0 HB2 ASN A 27 9.734 3.885 -5.319 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.596 5.070 -4.035 1.00 0.00 H new ATOM 0 HD21 ASN A 27 13.093 5.653 -3.692 1.00 0.00 H new ATOM 0 HD22 ASN A 27 11.509 5.802 -2.925 1.00 0.00 H new ATOM 423 N TRP A 28 8.209 1.593 -4.294 1.00 0.00 N ATOM 424 CA TRP A 28 6.874 1.032 -4.471 1.00 0.00 C ATOM 425 C TRP A 28 6.476 0.167 -3.288 1.00 0.00 C ATOM 426 O TRP A 28 5.324 0.183 -2.858 1.00 0.00 O ATOM 427 CB TRP A 28 6.815 0.229 -5.760 1.00 0.00 C ATOM 428 CG TRP A 28 7.062 1.093 -6.943 1.00 0.00 C ATOM 429 CD1 TRP A 28 8.233 1.230 -7.616 1.00 0.00 C ATOM 430 CD2 TRP A 28 6.123 1.964 -7.574 1.00 0.00 C ATOM 431 NE1 TRP A 28 8.092 2.151 -8.618 1.00 0.00 N ATOM 432 CE2 TRP A 28 6.798 2.610 -8.623 1.00 0.00 C ATOM 433 CE3 TRP A 28 4.775 2.259 -7.352 1.00 0.00 C ATOM 434 CZ2 TRP A 28 6.173 3.538 -9.451 1.00 0.00 C ATOM 435 CZ3 TRP A 28 4.150 3.176 -8.172 1.00 0.00 C ATOM 436 CH2 TRP A 28 4.849 3.809 -9.214 1.00 0.00 C ATOM 0 H TRP A 28 8.924 1.169 -4.885 1.00 0.00 H new ATOM 0 HA TRP A 28 6.164 1.857 -4.531 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.556 -0.569 -5.728 1.00 0.00 H new ATOM 0 HB3 TRP A 28 5.838 -0.246 -5.851 1.00 0.00 H new ATOM 0 HD1 TRP A 28 9.142 0.691 -7.393 1.00 0.00 H new ATOM 0 HE1 TRP A 28 8.829 2.448 -9.258 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.232 1.777 -6.552 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 6.710 4.027 -10.250 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 3.108 3.411 -8.011 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.334 4.522 -9.840 1.00 0.00 H new ATOM 447 N VAL A 29 7.433 -0.585 -2.756 1.00 0.00 N ATOM 448 CA VAL A 29 7.170 -1.448 -1.619 1.00 0.00 C ATOM 449 C VAL A 29 6.948 -0.626 -0.360 1.00 0.00 C ATOM 450 O VAL A 29 5.980 -0.835 0.366 1.00 0.00 O ATOM 451 CB VAL A 29 8.338 -2.427 -1.390 1.00 0.00 C ATOM 452 CG1 VAL A 29 8.048 -3.356 -0.222 1.00 0.00 C ATOM 453 CG2 VAL A 29 8.623 -3.216 -2.659 1.00 0.00 C ATOM 0 H VAL A 29 8.394 -0.612 -3.095 1.00 0.00 H new ATOM 0 HA VAL A 29 6.267 -2.017 -1.839 1.00 0.00 H new ATOM 0 HB VAL A 29 9.228 -1.849 -1.139 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.888 -4.037 -0.081 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.903 -2.767 0.684 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.146 -3.931 -0.430 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.450 -3.903 -2.482 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.736 -3.782 -2.943 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.888 -2.529 -3.463 1.00 0.00 H new ATOM 463 N CYS A 30 7.855 0.303 -0.108 1.00 0.00 N ATOM 464 CA CYS A 30 7.768 1.161 1.063 1.00 0.00 C ATOM 465 C CYS A 30 6.461 1.954 1.071 1.00 0.00 C ATOM 466 O CYS A 30 5.771 2.020 2.090 1.00 0.00 O ATOM 467 CB CYS A 30 8.961 2.114 1.087 1.00 0.00 C ATOM 468 SG CYS A 30 9.274 2.878 2.707 1.00 0.00 S ATOM 0 H CYS A 30 8.664 0.483 -0.702 1.00 0.00 H new ATOM 0 HA CYS A 30 7.784 0.533 1.954 1.00 0.00 H new ATOM 0 HB2 CYS A 30 9.853 1.569 0.777 1.00 0.00 H new ATOM 0 HB3 CYS A 30 8.797 2.902 0.352 1.00 0.00 H new ATOM 473 N ALA A 31 6.131 2.560 -0.067 1.00 0.00 N ATOM 474 CA ALA A 31 4.914 3.355 -0.187 1.00 0.00 C ATOM 475 C ALA A 31 3.663 2.501 -0.008 1.00 0.00 C ATOM 476 O ALA A 31 2.737 2.886 0.705 1.00 0.00 O ATOM 477 CB ALA A 31 4.880 4.061 -1.533 1.00 0.00 C ATOM 0 H ALA A 31 6.690 2.515 -0.919 1.00 0.00 H new ATOM 0 HA ALA A 31 4.924 4.099 0.609 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.967 4.651 -1.611 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.745 4.718 -1.621 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.903 3.321 -2.333 1.00 0.00 H new ATOM 483 N ALA A 32 3.640 1.344 -0.660 1.00 0.00 N ATOM 484 CA ALA A 32 2.496 0.441 -0.577 1.00 0.00 C ATOM 485 C ALA A 32 2.355 -0.162 0.818 1.00 0.00 C ATOM 486 O ALA A 32 1.261 -0.193 1.379 1.00 0.00 O ATOM 487 CB ALA A 32 2.619 -0.661 -1.617 1.00 0.00 C ATOM 0 H ALA A 32 4.400 1.008 -1.252 1.00 0.00 H new ATOM 0 HA ALA A 32 1.598 1.024 -0.778 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.760 -1.327 -1.544 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.652 -0.219 -2.613 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.533 -1.228 -1.440 1.00 0.00 H new ATOM 493 N LYS A 33 3.463 -0.649 1.364 1.00 0.00 N ATOM 494 CA LYS A 33 3.471 -1.266 2.686 1.00 0.00 C ATOM 495 C LYS A 33 2.780 -0.387 3.721 1.00 0.00 C ATOM 496 O LYS A 33 1.871 -0.830 4.415 1.00 0.00 O ATOM 497 CB LYS A 33 4.906 -1.549 3.130 1.00 0.00 C ATOM 498 CG LYS A 33 4.999 -2.406 4.382 1.00 0.00 C ATOM 499 CD LYS A 33 5.920 -1.783 5.417 1.00 0.00 C ATOM 500 CE LYS A 33 5.860 -2.531 6.739 1.00 0.00 C ATOM 501 NZ LYS A 33 4.550 -2.346 7.422 1.00 0.00 N ATOM 0 H LYS A 33 4.375 -0.628 0.907 1.00 0.00 H new ATOM 0 HA LYS A 33 2.919 -2.203 2.613 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.437 -2.047 2.319 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.415 -0.602 3.310 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.005 -2.536 4.810 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.365 -3.398 4.118 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.944 -1.785 5.043 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.640 -0.741 5.574 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.031 -3.593 6.563 1.00 0.00 H new ATOM 0 HE3 LYS A 33 6.662 -2.182 7.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.625 -2.664 8.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.287 -1.340 7.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.822 -2.905 6.933 1.00 0.00 H new ATOM 515 N PHE A 34 3.231 0.851 3.844 1.00 0.00 N ATOM 516 CA PHE A 34 2.654 1.760 4.823 1.00 0.00 C ATOM 517 C PHE A 34 1.303 2.301 4.382 1.00 0.00 C ATOM 518 O PHE A 34 0.529 2.791 5.204 1.00 0.00 O ATOM 519 CB PHE A 34 3.610 2.897 5.123 1.00 0.00 C ATOM 520 CG PHE A 34 4.533 2.623 6.275 1.00 0.00 C ATOM 521 CD1 PHE A 34 4.036 2.487 7.561 1.00 0.00 C ATOM 522 CD2 PHE A 34 5.898 2.500 6.072 1.00 0.00 C ATOM 523 CE1 PHE A 34 4.883 2.233 8.624 1.00 0.00 C ATOM 524 CE2 PHE A 34 6.751 2.247 7.130 1.00 0.00 C ATOM 525 CZ PHE A 34 6.242 2.114 8.408 1.00 0.00 C ATOM 0 H PHE A 34 3.987 1.247 3.285 1.00 0.00 H new ATOM 0 HA PHE A 34 2.488 1.186 5.735 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.205 3.103 4.234 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.034 3.797 5.337 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.974 2.580 7.735 1.00 0.00 H new ATOM 0 HD2 PHE A 34 6.300 2.603 5.075 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.483 2.128 9.622 1.00 0.00 H new ATOM 0 HE2 PHE A 34 7.813 2.153 6.958 1.00 0.00 H new ATOM 0 HZ PHE A 34 6.906 1.917 9.237 1.00 0.00 H new ATOM 535 N GLU A 35 1.020 2.217 3.093 1.00 0.00 N ATOM 536 CA GLU A 35 -0.242 2.706 2.561 1.00 0.00 C ATOM 537 C GLU A 35 -1.402 1.790 2.933 1.00 0.00 C ATOM 538 O GLU A 35 -2.430 2.243 3.436 1.00 0.00 O ATOM 539 CB GLU A 35 -0.155 2.811 1.040 1.00 0.00 C ATOM 540 CG GLU A 35 -0.073 4.237 0.526 1.00 0.00 C ATOM 541 CD GLU A 35 0.458 4.308 -0.892 1.00 0.00 C ATOM 542 OE1 GLU A 35 -0.315 4.022 -1.828 1.00 0.00 O ATOM 543 OE2 GLU A 35 1.648 4.645 -1.063 1.00 0.00 O ATOM 0 H GLU A 35 1.646 1.815 2.395 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.427 3.688 2.997 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.721 2.261 0.697 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.028 2.327 0.602 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.063 4.692 0.564 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.572 4.821 1.183 1.00 0.00 H new ATOM 550 N SER A 36 -1.247 0.506 2.632 1.00 0.00 N ATOM 551 CA SER A 36 -2.306 -0.469 2.882 1.00 0.00 C ATOM 552 C SER A 36 -1.779 -1.761 3.497 1.00 0.00 C ATOM 553 O SER A 36 -2.531 -2.724 3.653 1.00 0.00 O ATOM 554 CB SER A 36 -3.008 -0.795 1.560 1.00 0.00 C ATOM 555 OG SER A 36 -2.083 -1.290 0.609 1.00 0.00 O ATOM 0 H SER A 36 -0.402 0.115 2.216 1.00 0.00 H new ATOM 0 HA SER A 36 -2.999 -0.024 3.596 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.791 -1.534 1.731 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.494 0.100 1.170 1.00 0.00 H new ATOM 0 HG SER A 36 -1.712 -0.543 0.094 1.00 0.00 H new ATOM 561 N ASN A 37 -0.494 -1.796 3.822 1.00 0.00 N ATOM 562 CA ASN A 37 0.105 -3.001 4.390 1.00 0.00 C ATOM 563 C ASN A 37 -0.042 -4.147 3.398 1.00 0.00 C ATOM 564 O ASN A 37 -0.135 -5.308 3.777 1.00 0.00 O ATOM 565 CB ASN A 37 -0.557 -3.362 5.722 1.00 0.00 C ATOM 566 CG ASN A 37 0.452 -3.779 6.774 1.00 0.00 C ATOM 567 OD1 ASN A 37 1.452 -3.095 6.998 1.00 0.00 O ATOM 568 ND2 ASN A 37 0.196 -4.906 7.427 1.00 0.00 N ATOM 0 H ASN A 37 0.150 -1.014 3.705 1.00 0.00 H new ATOM 0 HA ASN A 37 1.162 -2.817 4.581 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.125 -2.506 6.086 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.268 -4.172 5.563 1.00 0.00 H new ATOM 0 HD21 ASN A 37 0.840 -5.236 8.146 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -0.644 -5.442 7.210 1.00 0.00 H new ATOM 575 N PHE A 38 -0.062 -3.775 2.120 1.00 0.00 N ATOM 576 CA PHE A 38 -0.200 -4.697 1.005 1.00 0.00 C ATOM 577 C PHE A 38 -1.567 -5.363 0.999 1.00 0.00 C ATOM 578 O PHE A 38 -1.750 -6.410 0.390 1.00 0.00 O ATOM 579 CB PHE A 38 0.929 -5.733 0.996 1.00 0.00 C ATOM 580 CG PHE A 38 2.294 -5.112 0.918 1.00 0.00 C ATOM 581 CD1 PHE A 38 2.619 -4.257 -0.122 1.00 0.00 C ATOM 582 CD2 PHE A 38 3.248 -5.377 1.886 1.00 0.00 C ATOM 583 CE1 PHE A 38 3.870 -3.677 -0.198 1.00 0.00 C ATOM 584 CE2 PHE A 38 4.503 -4.801 1.815 1.00 0.00 C ATOM 585 CZ PHE A 38 4.813 -3.951 0.773 1.00 0.00 C ATOM 0 H PHE A 38 0.019 -2.801 1.829 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.118 -4.115 0.087 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.864 -6.341 1.898 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.792 -6.404 0.148 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.884 -4.041 -0.884 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.009 -6.040 2.704 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.110 -3.011 -1.014 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.240 -5.016 2.574 1.00 0.00 H new ATOM 0 HZ PHE A 38 5.793 -3.500 0.717 1.00 0.00 H new ATOM 595 N ASN A 39 -2.547 -4.729 1.635 1.00 0.00 N ATOM 596 CA ASN A 39 -3.898 -5.265 1.646 1.00 0.00 C ATOM 597 C ASN A 39 -4.570 -4.926 0.325 1.00 0.00 C ATOM 598 O ASN A 39 -4.783 -3.757 0.003 1.00 0.00 O ATOM 599 CB ASN A 39 -4.696 -4.707 2.824 1.00 0.00 C ATOM 600 CG ASN A 39 -6.094 -5.290 2.907 1.00 0.00 C ATOM 601 OD1 ASN A 39 -6.412 -6.271 2.235 1.00 0.00 O ATOM 602 ND2 ASN A 39 -6.939 -4.687 3.736 1.00 0.00 N ATOM 0 H ASN A 39 -2.431 -3.853 2.144 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.859 -6.348 1.766 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.163 -4.916 3.751 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.763 -3.623 2.732 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.893 -5.035 3.834 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -6.634 -3.876 4.275 1.00 0.00 H new ATOM 609 N THR A 40 -4.853 -5.956 -0.457 1.00 0.00 N ATOM 610 CA THR A 40 -5.445 -5.783 -1.772 1.00 0.00 C ATOM 611 C THR A 40 -6.856 -5.253 -1.656 1.00 0.00 C ATOM 612 O THR A 40 -7.433 -4.748 -2.621 1.00 0.00 O ATOM 613 CB THR A 40 -5.464 -7.113 -2.550 1.00 0.00 C ATOM 614 OG1 THR A 40 -6.703 -7.796 -2.326 1.00 0.00 O ATOM 615 CG2 THR A 40 -4.314 -8.009 -2.120 1.00 0.00 C ATOM 0 H THR A 40 -4.680 -6.928 -0.200 1.00 0.00 H new ATOM 0 HA THR A 40 -4.832 -5.064 -2.315 1.00 0.00 H new ATOM 0 HB THR A 40 -5.356 -6.885 -3.610 1.00 0.00 H new ATOM 0 HG1 THR A 40 -6.707 -8.639 -2.826 1.00 0.00 H new ATOM 0 HG21 THR A 40 -4.349 -8.942 -2.683 1.00 0.00 H new ATOM 0 HG22 THR A 40 -3.368 -7.504 -2.313 1.00 0.00 H new ATOM 0 HG23 THR A 40 -4.400 -8.225 -1.055 1.00 0.00 H new ATOM 623 N GLN A 41 -7.414 -5.398 -0.470 1.00 0.00 N ATOM 624 CA GLN A 41 -8.768 -4.971 -0.196 1.00 0.00 C ATOM 625 C GLN A 41 -8.812 -3.766 0.745 1.00 0.00 C ATOM 626 O GLN A 41 -9.889 -3.329 1.151 1.00 0.00 O ATOM 627 CB GLN A 41 -9.519 -6.145 0.417 1.00 0.00 C ATOM 628 CG GLN A 41 -10.258 -7.000 -0.599 1.00 0.00 C ATOM 629 CD GLN A 41 -11.761 -6.809 -0.538 1.00 0.00 C ATOM 630 OE1 GLN A 41 -12.254 -5.682 -0.519 1.00 0.00 O ATOM 631 NE2 GLN A 41 -12.497 -7.914 -0.507 1.00 0.00 N ATOM 0 H GLN A 41 -6.939 -5.816 0.330 1.00 0.00 H new ATOM 0 HA GLN A 41 -9.235 -4.657 -1.130 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.812 -6.772 0.960 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.234 -5.765 1.147 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.905 -6.755 -1.601 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -10.021 -8.050 -0.426 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -12.045 -8.828 -0.525 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -13.514 -7.848 -0.466 1.00 0.00 H new ATOM 640 N ALA A 42 -7.643 -3.247 1.105 1.00 0.00 N ATOM 641 CA ALA A 42 -7.556 -2.108 2.017 1.00 0.00 C ATOM 642 C ALA A 42 -8.203 -0.849 1.449 1.00 0.00 C ATOM 643 O ALA A 42 -7.867 -0.396 0.352 1.00 0.00 O ATOM 644 CB ALA A 42 -6.108 -1.824 2.371 1.00 0.00 C ATOM 0 H ALA A 42 -6.741 -3.596 0.780 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.110 -2.383 2.915 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.060 -0.973 3.051 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.673 -2.699 2.854 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.550 -1.595 1.463 1.00 0.00 H new ATOM 650 N THR A 43 -9.115 -0.278 2.230 1.00 0.00 N ATOM 651 CA THR A 43 -9.810 0.946 1.856 1.00 0.00 C ATOM 652 C THR A 43 -9.607 2.000 2.943 1.00 0.00 C ATOM 653 O THR A 43 -9.733 1.698 4.130 1.00 0.00 O ATOM 654 CB THR A 43 -11.320 0.702 1.669 1.00 0.00 C ATOM 655 OG1 THR A 43 -11.995 0.818 2.927 1.00 0.00 O ATOM 656 CG2 THR A 43 -11.577 -0.676 1.076 1.00 0.00 C ATOM 0 H THR A 43 -9.392 -0.651 3.138 1.00 0.00 H new ATOM 0 HA THR A 43 -9.396 1.291 0.909 1.00 0.00 H new ATOM 0 HB THR A 43 -11.704 1.454 0.980 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.954 0.663 2.799 1.00 0.00 H new ATOM 0 HG21 THR A 43 -12.650 -0.825 0.953 1.00 0.00 H new ATOM 0 HG22 THR A 43 -11.087 -0.752 0.105 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.179 -1.440 1.744 1.00 0.00 H new ATOM 664 N ASN A 44 -9.284 3.229 2.549 1.00 0.00 N ATOM 665 CA ASN A 44 -9.060 4.297 3.520 1.00 0.00 C ATOM 666 C ASN A 44 -9.922 5.518 3.214 1.00 0.00 C ATOM 667 O ASN A 44 -9.647 6.262 2.273 1.00 0.00 O ATOM 668 CB ASN A 44 -7.583 4.695 3.538 1.00 0.00 C ATOM 669 CG ASN A 44 -7.141 5.219 4.890 1.00 0.00 C ATOM 670 OD1 ASN A 44 -6.884 4.448 5.814 1.00 0.00 O ATOM 671 ND2 ASN A 44 -7.050 6.539 5.012 1.00 0.00 N ATOM 0 H ASN A 44 -9.172 3.509 1.574 1.00 0.00 H new ATOM 0 HA ASN A 44 -9.344 3.918 4.502 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -6.974 3.832 3.269 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -7.406 5.458 2.780 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.757 6.950 5.898 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -7.273 7.141 4.219 1.00 0.00 H new ATOM 678 N ARG A 45 -10.964 5.717 4.015 1.00 0.00 N ATOM 679 CA ARG A 45 -11.867 6.848 3.832 1.00 0.00 C ATOM 680 C ARG A 45 -11.319 8.104 4.502 1.00 0.00 C ATOM 681 O ARG A 45 -10.967 8.086 5.681 1.00 0.00 O ATOM 682 CB ARG A 45 -13.252 6.518 4.394 1.00 0.00 C ATOM 683 CG ARG A 45 -13.217 5.936 5.798 1.00 0.00 C ATOM 684 CD ARG A 45 -14.045 4.666 5.895 1.00 0.00 C ATOM 685 NE ARG A 45 -14.238 4.242 7.279 1.00 0.00 N ATOM 686 CZ ARG A 45 -15.382 3.750 7.748 1.00 0.00 C ATOM 687 NH1 ARG A 45 -16.429 3.618 6.945 1.00 0.00 N ATOM 688 NH2 ARG A 45 -15.477 3.387 9.019 1.00 0.00 N ATOM 0 H ARG A 45 -11.204 5.109 4.798 1.00 0.00 H new ATOM 0 HA ARG A 45 -11.951 7.040 2.762 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -13.857 7.424 4.401 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -13.746 5.810 3.728 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -12.186 5.722 6.078 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -13.594 6.672 6.508 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -15.016 4.830 5.428 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -13.553 3.869 5.337 1.00 0.00 H new ATOM 0 HE ARG A 45 -13.451 4.328 7.923 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -16.358 3.894 5.966 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -17.305 3.241 7.307 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -14.673 3.485 9.639 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -16.354 3.010 9.378 1.00 0.00 H new ATOM 702 N ASN A 46 -11.249 9.190 3.740 1.00 0.00 N ATOM 703 CA ASN A 46 -10.745 10.458 4.256 1.00 0.00 C ATOM 704 C ASN A 46 -11.881 11.453 4.464 1.00 0.00 C ATOM 705 O ASN A 46 -13.033 11.176 4.129 1.00 0.00 O ATOM 706 CB ASN A 46 -9.706 11.047 3.301 1.00 0.00 C ATOM 707 CG ASN A 46 -8.845 9.980 2.653 1.00 0.00 C ATOM 708 OD1 ASN A 46 -9.221 9.396 1.636 1.00 0.00 O ATOM 709 ND2 ASN A 46 -7.683 9.720 3.241 1.00 0.00 N ATOM 0 H ASN A 46 -11.535 9.218 2.761 1.00 0.00 H new ATOM 0 HA ASN A 46 -10.274 10.265 5.220 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.213 11.621 2.526 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -9.068 11.743 3.847 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -7.061 9.012 2.851 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -7.412 10.229 4.083 1.00 0.00 H new ATOM 716 N THR A 47 -11.546 12.611 5.020 1.00 0.00 N ATOM 717 CA THR A 47 -12.534 13.653 5.276 1.00 0.00 C ATOM 718 C THR A 47 -12.816 14.469 4.020 1.00 0.00 C ATOM 719 O THR A 47 -13.793 15.215 3.958 1.00 0.00 O ATOM 720 CB THR A 47 -12.071 14.602 6.397 1.00 0.00 C ATOM 721 OG1 THR A 47 -10.778 15.135 6.085 1.00 0.00 O ATOM 722 CG2 THR A 47 -12.016 13.877 7.733 1.00 0.00 C ATOM 0 H THR A 47 -10.596 12.853 5.303 1.00 0.00 H new ATOM 0 HA THR A 47 -13.448 13.149 5.589 1.00 0.00 H new ATOM 0 HB THR A 47 -12.792 15.416 6.473 1.00 0.00 H new ATOM 0 HG1 THR A 47 -10.491 15.739 6.802 1.00 0.00 H new ATOM 0 HG21 THR A 47 -11.686 14.568 8.509 1.00 0.00 H new ATOM 0 HG22 THR A 47 -13.007 13.498 7.982 1.00 0.00 H new ATOM 0 HG23 THR A 47 -11.315 13.045 7.667 1.00 0.00 H new ATOM 730 N ASP A 48 -11.954 14.323 3.018 1.00 0.00 N ATOM 731 CA ASP A 48 -12.110 15.047 1.761 1.00 0.00 C ATOM 732 C ASP A 48 -13.252 14.465 0.934 1.00 0.00 C ATOM 733 O ASP A 48 -13.650 15.035 -0.082 1.00 0.00 O ATOM 734 CB ASP A 48 -10.810 15.007 0.959 1.00 0.00 C ATOM 735 CG ASP A 48 -10.240 13.606 0.842 1.00 0.00 C ATOM 736 OD1 ASP A 48 -11.021 12.637 0.946 1.00 0.00 O ATOM 737 OD2 ASP A 48 -9.013 13.479 0.646 1.00 0.00 O ATOM 0 H ASP A 48 -11.140 13.709 3.052 1.00 0.00 H new ATOM 0 HA ASP A 48 -12.350 16.084 1.997 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -10.991 15.406 -0.039 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -10.074 15.656 1.434 1.00 0.00 H new ATOM 742 N GLY A 49 -13.774 13.325 1.377 1.00 0.00 N ATOM 743 CA GLY A 49 -14.866 12.682 0.669 1.00 0.00 C ATOM 744 C GLY A 49 -14.407 11.492 -0.151 1.00 0.00 C ATOM 745 O GLY A 49 -15.161 10.539 -0.348 1.00 0.00 O ATOM 0 H GLY A 49 -13.460 12.835 2.214 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -15.618 12.356 1.387 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -15.346 13.408 0.013 1.00 0.00 H new ATOM 749 N SER A 50 -13.167 11.546 -0.627 1.00 0.00 N ATOM 750 CA SER A 50 -12.611 10.460 -1.428 1.00 0.00 C ATOM 751 C SER A 50 -12.150 9.311 -0.539 1.00 0.00 C ATOM 752 O SER A 50 -12.234 9.386 0.686 1.00 0.00 O ATOM 753 CB SER A 50 -11.446 10.962 -2.284 1.00 0.00 C ATOM 754 OG SER A 50 -10.777 12.042 -1.658 1.00 0.00 O ATOM 0 H SER A 50 -12.530 12.327 -0.473 1.00 0.00 H new ATOM 0 HA SER A 50 -13.397 10.093 -2.088 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.743 10.148 -2.459 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.817 11.277 -3.259 1.00 0.00 H new ATOM 0 HG SER A 50 -10.763 11.900 -0.688 1.00 0.00 H new ATOM 760 N THR A 51 -11.673 8.244 -1.170 1.00 0.00 N ATOM 761 CA THR A 51 -11.208 7.071 -0.442 1.00 0.00 C ATOM 762 C THR A 51 -9.998 6.435 -1.118 1.00 0.00 C ATOM 763 O THR A 51 -9.658 6.774 -2.249 1.00 0.00 O ATOM 764 CB THR A 51 -12.326 6.020 -0.324 1.00 0.00 C ATOM 765 OG1 THR A 51 -13.599 6.667 -0.222 1.00 0.00 O ATOM 766 CG2 THR A 51 -12.112 5.125 0.887 1.00 0.00 C ATOM 0 H THR A 51 -11.598 8.168 -2.184 1.00 0.00 H new ATOM 0 HA THR A 51 -10.918 7.409 0.553 1.00 0.00 H new ATOM 0 HB THR A 51 -12.301 5.401 -1.221 1.00 0.00 H new ATOM 0 HG1 THR A 51 -14.312 6.013 -0.379 1.00 0.00 H new ATOM 0 HG21 THR A 51 -12.917 4.392 0.945 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.157 4.608 0.793 1.00 0.00 H new ATOM 0 HG23 THR A 51 -12.108 5.732 1.792 1.00 0.00 H new ATOM 774 N ASP A 52 -9.354 5.510 -0.413 1.00 0.00 N ATOM 775 CA ASP A 52 -8.183 4.816 -0.933 1.00 0.00 C ATOM 776 C ASP A 52 -8.461 3.329 -1.063 1.00 0.00 C ATOM 777 O ASP A 52 -8.139 2.545 -0.170 1.00 0.00 O ATOM 778 CB ASP A 52 -6.979 5.048 -0.019 1.00 0.00 C ATOM 779 CG ASP A 52 -6.536 6.497 -0.002 1.00 0.00 C ATOM 780 OD1 ASP A 52 -6.329 7.069 -1.093 1.00 0.00 O ATOM 781 OD2 ASP A 52 -6.398 7.063 1.103 1.00 0.00 O ATOM 0 H ASP A 52 -9.627 5.223 0.527 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.956 5.216 -1.921 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.231 4.736 0.995 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.150 4.422 -0.349 1.00 0.00 H new ATOM 786 N TYR A 53 -9.060 2.948 -2.183 1.00 0.00 N ATOM 787 CA TYR A 53 -9.380 1.554 -2.427 1.00 0.00 C ATOM 788 C TYR A 53 -8.288 0.879 -3.243 1.00 0.00 C ATOM 789 O TYR A 53 -8.408 0.753 -4.457 1.00 0.00 O ATOM 790 CB TYR A 53 -10.706 1.415 -3.178 1.00 0.00 C ATOM 791 CG TYR A 53 -11.883 2.118 -2.540 1.00 0.00 C ATOM 792 CD1 TYR A 53 -12.399 1.688 -1.326 1.00 0.00 C ATOM 793 CD2 TYR A 53 -12.490 3.200 -3.164 1.00 0.00 C ATOM 794 CE1 TYR A 53 -13.487 2.316 -0.749 1.00 0.00 C ATOM 795 CE2 TYR A 53 -13.577 3.835 -2.595 1.00 0.00 C ATOM 796 CZ TYR A 53 -14.072 3.389 -1.388 1.00 0.00 C ATOM 797 OH TYR A 53 -15.155 4.017 -0.818 1.00 0.00 O ATOM 0 H TYR A 53 -9.332 3.584 -2.932 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.461 1.071 -1.453 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -10.576 1.803 -4.188 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -10.943 0.355 -3.271 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -11.943 0.848 -0.823 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -12.106 3.551 -4.110 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -13.876 1.968 0.196 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -14.036 4.676 -3.093 1.00 0.00 H new ATOM 0 HH TYR A 53 -15.099 3.945 0.158 1.00 0.00 H new ATOM 807 N GLY A 54 -7.204 0.464 -2.603 1.00 0.00 N ATOM 808 CA GLY A 54 -6.143 -0.182 -3.349 1.00 0.00 C ATOM 809 C GLY A 54 -4.882 -0.358 -2.534 1.00 0.00 C ATOM 810 O GLY A 54 -4.679 0.339 -1.539 1.00 0.00 O ATOM 0 H GLY A 54 -7.041 0.560 -1.601 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.488 -1.157 -3.693 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.917 0.408 -4.237 1.00 0.00 H new ATOM 814 N ILE A 55 -4.015 -1.271 -2.968 1.00 0.00 N ATOM 815 CA ILE A 55 -2.755 -1.495 -2.279 1.00 0.00 C ATOM 816 C ILE A 55 -1.925 -0.227 -2.372 1.00 0.00 C ATOM 817 O ILE A 55 -1.112 0.078 -1.499 1.00 0.00 O ATOM 818 CB ILE A 55 -1.966 -2.671 -2.892 1.00 0.00 C ATOM 819 CG1 ILE A 55 -0.745 -2.998 -2.030 1.00 0.00 C ATOM 820 CG2 ILE A 55 -1.541 -2.334 -4.314 1.00 0.00 C ATOM 821 CD1 ILE A 55 -0.049 -4.281 -2.429 1.00 0.00 C ATOM 0 H ILE A 55 -4.164 -1.861 -3.787 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.968 -1.748 -1.240 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.611 -3.549 -2.922 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.034 -2.174 -2.093 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.055 -3.072 -0.988 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.985 -3.171 -4.736 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.425 -2.142 -4.922 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.908 -1.447 -4.304 1.00 0.00 H new ATOM 0 HD11 ILE A 55 0.807 -4.449 -1.775 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.744 -5.116 -2.338 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.293 -4.204 -3.461 1.00 0.00 H new ATOM 833 N LEU A 56 -2.175 0.521 -3.442 1.00 0.00 N ATOM 834 CA LEU A 56 -1.502 1.784 -3.681 1.00 0.00 C ATOM 835 C LEU A 56 -2.490 2.924 -3.459 1.00 0.00 C ATOM 836 O LEU A 56 -2.209 4.076 -3.789 1.00 0.00 O ATOM 837 CB LEU A 56 -0.938 1.843 -5.108 1.00 0.00 C ATOM 838 CG LEU A 56 0.591 1.964 -5.212 1.00 0.00 C ATOM 839 CD1 LEU A 56 1.108 3.072 -4.306 1.00 0.00 C ATOM 840 CD2 LEU A 56 1.252 0.638 -4.863 1.00 0.00 C ATOM 0 H LEU A 56 -2.849 0.266 -4.164 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.667 1.879 -2.987 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.251 0.945 -5.641 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.388 2.692 -5.623 1.00 0.00 H new ATOM 0 HG LEU A 56 0.845 2.220 -6.241 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.192 3.139 -4.396 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.660 4.021 -4.600 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.843 2.850 -3.272 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.334 0.739 -4.941 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.987 0.356 -3.844 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.909 -0.132 -5.554 1.00 0.00 H new ATOM 852 N GLN A 57 -3.656 2.585 -2.893 1.00 0.00 N ATOM 853 CA GLN A 57 -4.709 3.558 -2.610 1.00 0.00 C ATOM 854 C GLN A 57 -5.367 4.062 -3.890 1.00 0.00 C ATOM 855 O GLN A 57 -5.098 5.183 -4.326 1.00 0.00 O ATOM 856 CB GLN A 57 -4.145 4.739 -1.812 1.00 0.00 C ATOM 857 CG GLN A 57 -3.501 4.332 -0.497 1.00 0.00 C ATOM 858 CD GLN A 57 -3.393 5.486 0.481 1.00 0.00 C ATOM 859 OE1 GLN A 57 -2.853 6.543 0.154 1.00 0.00 O ATOM 860 NE2 GLN A 57 -3.907 5.288 1.689 1.00 0.00 N ATOM 0 H GLN A 57 -3.891 1.631 -2.621 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.471 3.053 -2.016 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.407 5.260 -2.422 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.949 5.447 -1.610 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -4.084 3.530 -0.044 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.506 3.932 -0.692 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -4.345 4.396 1.917 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.863 6.028 2.389 1.00 0.00 H new ATOM 869 N ILE A 58 -6.224 3.239 -4.505 1.00 0.00 N ATOM 870 CA ILE A 58 -6.880 3.643 -5.730 1.00 0.00 C ATOM 871 C ILE A 58 -8.152 4.403 -5.422 1.00 0.00 C ATOM 872 O ILE A 58 -9.211 3.807 -5.214 1.00 0.00 O ATOM 873 CB ILE A 58 -7.205 2.434 -6.628 1.00 0.00 C ATOM 874 CG1 ILE A 58 -6.033 1.446 -6.641 1.00 0.00 C ATOM 875 CG2 ILE A 58 -7.535 2.895 -8.040 1.00 0.00 C ATOM 876 CD1 ILE A 58 -4.704 2.077 -7.005 1.00 0.00 C ATOM 0 H ILE A 58 -6.469 2.306 -4.173 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.190 4.291 -6.269 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.078 1.924 -6.221 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.948 0.985 -5.657 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.251 0.647 -7.350 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.762 2.029 -8.662 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.399 3.559 -8.013 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.681 3.428 -8.458 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.924 1.316 -6.993 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.769 2.514 -8.002 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.461 2.856 -6.283 1.00 0.00 H new ATOM 888 N ASN A 59 -8.047 5.723 -5.403 1.00 0.00 N ATOM 889 CA ASN A 59 -9.198 6.558 -5.135 1.00 0.00 C ATOM 890 C ASN A 59 -10.190 6.409 -6.271 1.00 0.00 C ATOM 891 O ASN A 59 -10.033 7.020 -7.326 1.00 0.00 O ATOM 892 CB ASN A 59 -8.778 8.021 -4.984 1.00 0.00 C ATOM 893 CG ASN A 59 -9.945 8.927 -4.641 1.00 0.00 C ATOM 894 OD1 ASN A 59 -11.012 8.461 -4.240 1.00 0.00 O ATOM 895 ND2 ASN A 59 -9.746 10.230 -4.795 1.00 0.00 N ATOM 0 H ASN A 59 -7.179 6.233 -5.570 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.662 6.244 -4.200 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.020 8.100 -4.205 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.318 8.361 -5.912 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.494 10.889 -4.578 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.845 10.572 -5.130 1.00 0.00 H new ATOM 902 N SER A 60 -11.210 5.590 -6.057 1.00 0.00 N ATOM 903 CA SER A 60 -12.228 5.359 -7.075 1.00 0.00 C ATOM 904 C SER A 60 -12.950 6.653 -7.450 1.00 0.00 C ATOM 905 O SER A 60 -13.691 6.693 -8.432 1.00 0.00 O ATOM 906 CB SER A 60 -13.242 4.325 -6.584 1.00 0.00 C ATOM 907 OG SER A 60 -14.123 4.888 -5.627 1.00 0.00 O ATOM 0 H SER A 60 -11.356 5.074 -5.189 1.00 0.00 H new ATOM 0 HA SER A 60 -11.725 4.981 -7.965 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.814 3.943 -7.429 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.717 3.477 -6.145 1.00 0.00 H new ATOM 0 HG SER A 60 -13.961 4.477 -4.752 1.00 0.00 H new ATOM 913 N ARG A 61 -12.732 7.710 -6.670 1.00 0.00 N ATOM 914 CA ARG A 61 -13.367 8.995 -6.939 1.00 0.00 C ATOM 915 C ARG A 61 -12.537 9.815 -7.920 1.00 0.00 C ATOM 916 O ARG A 61 -13.056 10.323 -8.914 1.00 0.00 O ATOM 917 CB ARG A 61 -13.560 9.776 -5.637 1.00 0.00 C ATOM 918 CG ARG A 61 -14.472 10.982 -5.780 1.00 0.00 C ATOM 919 CD ARG A 61 -15.381 11.140 -4.572 1.00 0.00 C ATOM 920 NE ARG A 61 -15.804 12.524 -4.382 1.00 0.00 N ATOM 921 CZ ARG A 61 -16.759 13.110 -5.098 1.00 0.00 C ATOM 922 NH1 ARG A 61 -17.388 12.433 -6.049 1.00 0.00 N ATOM 923 NH2 ARG A 61 -17.087 14.373 -4.863 1.00 0.00 N ATOM 0 H ARG A 61 -12.124 7.701 -5.851 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.342 8.804 -7.386 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.971 9.108 -4.880 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -12.587 10.108 -5.275 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -13.870 11.882 -5.904 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -15.077 10.877 -6.681 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -16.259 10.506 -4.694 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -14.860 10.794 -3.679 1.00 0.00 H new ATOM 0 HE ARG A 61 -15.340 13.073 -3.658 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -17.140 11.461 -6.232 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -18.120 12.884 -6.597 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -16.606 14.897 -4.132 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -17.820 14.820 -5.414 1.00 0.00 H new ATOM 937 N TRP A 62 -11.245 9.940 -7.634 1.00 0.00 N ATOM 938 CA TRP A 62 -10.341 10.697 -8.492 1.00 0.00 C ATOM 939 C TRP A 62 -9.795 9.822 -9.616 1.00 0.00 C ATOM 940 O TRP A 62 -9.196 10.323 -10.566 1.00 0.00 O ATOM 941 CB TRP A 62 -9.186 11.273 -7.671 1.00 0.00 C ATOM 942 CG TRP A 62 -8.811 12.667 -8.070 1.00 0.00 C ATOM 943 CD1 TRP A 62 -7.959 13.034 -9.071 1.00 0.00 C ATOM 944 CD2 TRP A 62 -9.277 13.883 -7.474 1.00 0.00 C ATOM 945 NE1 TRP A 62 -7.866 14.403 -9.135 1.00 0.00 N ATOM 946 CE2 TRP A 62 -8.666 14.947 -8.166 1.00 0.00 C ATOM 947 CE3 TRP A 62 -10.152 14.177 -6.425 1.00 0.00 C ATOM 948 CZ2 TRP A 62 -8.903 16.281 -7.840 1.00 0.00 C ATOM 949 CZ3 TRP A 62 -10.386 15.501 -6.102 1.00 0.00 C ATOM 950 CH2 TRP A 62 -9.764 16.538 -6.808 1.00 0.00 C ATOM 0 H TRP A 62 -10.801 9.527 -6.814 1.00 0.00 H new ATOM 0 HA TRP A 62 -10.905 11.517 -8.936 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -9.461 11.266 -6.616 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -8.316 10.626 -7.778 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -7.434 12.348 -9.719 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -7.294 14.929 -9.796 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -10.637 13.384 -5.876 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -8.424 17.083 -8.382 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -11.059 15.739 -5.292 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -9.968 17.562 -6.532 1.00 0.00 H new ATOM 961 N TRP A 63 -10.023 8.516 -9.506 1.00 0.00 N ATOM 962 CA TRP A 63 -9.568 7.566 -10.518 1.00 0.00 C ATOM 963 C TRP A 63 -10.615 6.484 -10.751 1.00 0.00 C ATOM 964 O TRP A 63 -11.443 6.216 -9.883 1.00 0.00 O ATOM 965 CB TRP A 63 -8.253 6.891 -10.102 1.00 0.00 C ATOM 966 CG TRP A 63 -7.187 7.841 -9.651 1.00 0.00 C ATOM 967 CD1 TRP A 63 -6.599 7.906 -8.421 1.00 0.00 C ATOM 968 CD2 TRP A 63 -6.577 8.855 -10.441 1.00 0.00 C ATOM 969 NE1 TRP A 63 -5.657 8.908 -8.403 1.00 0.00 N ATOM 970 CE2 TRP A 63 -5.627 9.507 -9.636 1.00 0.00 C ATOM 971 CE3 TRP A 63 -6.749 9.272 -11.755 1.00 0.00 C ATOM 972 CZ2 TRP A 63 -4.849 10.559 -10.112 1.00 0.00 C ATOM 973 CZ3 TRP A 63 -5.987 10.312 -12.229 1.00 0.00 C ATOM 974 CH2 TRP A 63 -5.043 10.951 -11.411 1.00 0.00 C ATOM 0 H TRP A 63 -10.521 8.090 -8.724 1.00 0.00 H new ATOM 0 HA TRP A 63 -9.407 8.131 -11.436 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -8.459 6.186 -9.297 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -7.874 6.311 -10.944 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -6.838 7.265 -7.585 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -5.076 9.163 -7.604 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -7.471 8.786 -12.394 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -4.121 11.047 -9.482 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -6.117 10.643 -13.249 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -4.459 11.766 -11.812 1.00 0.00 H new ATOM 985 N CYS A 64 -10.531 5.846 -11.913 1.00 0.00 N ATOM 986 CA CYS A 64 -11.427 4.752 -12.295 1.00 0.00 C ATOM 987 C CYS A 64 -12.904 5.062 -12.075 1.00 0.00 C ATOM 988 O CYS A 64 -13.278 5.884 -11.240 1.00 0.00 O ATOM 989 CB CYS A 64 -11.051 3.472 -11.539 1.00 0.00 C ATOM 990 SG CYS A 64 -11.902 3.253 -9.937 1.00 0.00 S ATOM 0 H CYS A 64 -9.836 6.072 -12.624 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.294 4.614 -13.368 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -11.273 2.614 -12.173 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -9.975 3.471 -11.366 1.00 0.00 H new ATOM 995 N ASN A 65 -13.743 4.375 -12.841 1.00 0.00 N ATOM 996 CA ASN A 65 -15.187 4.544 -12.741 1.00 0.00 C ATOM 997 C ASN A 65 -15.797 3.396 -11.944 1.00 0.00 C ATOM 998 O ASN A 65 -15.838 2.257 -12.411 1.00 0.00 O ATOM 999 CB ASN A 65 -15.815 4.607 -14.135 1.00 0.00 C ATOM 1000 CG ASN A 65 -17.312 4.842 -14.084 1.00 0.00 C ATOM 1001 OD1 ASN A 65 -18.097 4.027 -14.571 1.00 0.00 O ATOM 1002 ND2 ASN A 65 -17.717 5.960 -13.493 1.00 0.00 N ATOM 0 H ASN A 65 -13.447 3.694 -13.540 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.391 5.481 -12.224 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.344 5.406 -14.707 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -15.614 3.675 -14.664 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -18.713 6.171 -13.429 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -17.032 6.608 -13.103 1.00 0.00 H new ATOM 1009 N ASP A 66 -16.258 3.700 -10.735 1.00 0.00 N ATOM 1010 CA ASP A 66 -16.853 2.687 -9.870 1.00 0.00 C ATOM 1011 C ASP A 66 -18.376 2.704 -9.958 1.00 0.00 C ATOM 1012 O ASP A 66 -19.033 1.708 -9.654 1.00 0.00 O ATOM 1013 CB ASP A 66 -16.408 2.900 -8.423 1.00 0.00 C ATOM 1014 CG ASP A 66 -17.034 4.132 -7.800 1.00 0.00 C ATOM 1015 OD1 ASP A 66 -16.844 5.238 -8.350 1.00 0.00 O ATOM 1016 OD2 ASP A 66 -17.714 3.992 -6.762 1.00 0.00 O ATOM 0 H ASP A 66 -16.231 4.637 -10.333 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.507 1.711 -10.212 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -16.673 2.023 -7.832 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -15.322 2.991 -8.390 1.00 0.00 H new ATOM 1021 N GLY A 67 -18.934 3.835 -10.380 1.00 0.00 N ATOM 1022 CA GLY A 67 -20.376 3.949 -10.505 1.00 0.00 C ATOM 1023 C GLY A 67 -21.086 4.029 -9.164 1.00 0.00 C ATOM 1024 O GLY A 67 -22.247 4.431 -9.097 1.00 0.00 O ATOM 0 H GLY A 67 -18.414 4.674 -10.637 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -20.615 4.838 -11.089 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -20.756 3.091 -11.060 1.00 0.00 H new ATOM 1028 N ARG A 68 -20.393 3.644 -8.097 1.00 0.00 N ATOM 1029 CA ARG A 68 -20.974 3.674 -6.758 1.00 0.00 C ATOM 1030 C ARG A 68 -20.737 5.025 -6.090 1.00 0.00 C ATOM 1031 O ARG A 68 -21.277 5.300 -5.018 1.00 0.00 O ATOM 1032 CB ARG A 68 -20.381 2.556 -5.898 1.00 0.00 C ATOM 1033 CG ARG A 68 -20.668 1.162 -6.431 1.00 0.00 C ATOM 1034 CD ARG A 68 -20.278 0.090 -5.426 1.00 0.00 C ATOM 1035 NE ARG A 68 -21.118 0.129 -4.232 1.00 0.00 N ATOM 1036 CZ ARG A 68 -20.685 -0.188 -3.015 1.00 0.00 C ATOM 1037 NH1 ARG A 68 -19.426 -0.566 -2.832 1.00 0.00 N ATOM 1038 NH2 ARG A 68 -21.511 -0.127 -1.980 1.00 0.00 N ATOM 0 H ARG A 68 -19.431 3.308 -8.132 1.00 0.00 H new ATOM 0 HA ARG A 68 -22.049 3.521 -6.853 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -19.302 2.695 -5.830 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -20.778 2.638 -4.886 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -21.728 1.073 -6.667 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -20.121 1.007 -7.361 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -20.357 -0.891 -5.893 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -19.235 0.223 -5.140 1.00 0.00 H new ATOM 0 HE ARG A 68 -22.091 0.415 -4.337 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -18.787 -0.614 -3.626 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -19.097 -0.808 -1.897 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -22.479 0.163 -2.117 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -21.178 -0.370 -1.047 1.00 0.00 H new ATOM 1052 N THR A 69 -19.929 5.863 -6.730 1.00 0.00 N ATOM 1053 CA THR A 69 -19.623 7.185 -6.196 1.00 0.00 C ATOM 1054 C THR A 69 -19.993 8.278 -7.195 1.00 0.00 C ATOM 1055 O THR A 69 -19.240 8.556 -8.130 1.00 0.00 O ATOM 1056 CB THR A 69 -18.130 7.315 -5.839 1.00 0.00 C ATOM 1057 OG1 THR A 69 -17.699 6.163 -5.106 1.00 0.00 O ATOM 1058 CG2 THR A 69 -17.879 8.569 -5.014 1.00 0.00 C ATOM 0 H THR A 69 -19.475 5.651 -7.618 1.00 0.00 H new ATOM 0 HA THR A 69 -20.217 7.307 -5.290 1.00 0.00 H new ATOM 0 HB THR A 69 -17.562 7.388 -6.767 1.00 0.00 H new ATOM 0 HG1 THR A 69 -17.658 5.390 -5.707 1.00 0.00 H new ATOM 0 HG21 THR A 69 -16.818 8.640 -4.774 1.00 0.00 H new ATOM 0 HG22 THR A 69 -18.181 9.447 -5.585 1.00 0.00 H new ATOM 0 HG23 THR A 69 -18.458 8.520 -4.092 1.00 0.00 H new ATOM 1066 N PRO A 70 -21.164 8.916 -7.011 1.00 0.00 N ATOM 1067 CA PRO A 70 -21.630 9.985 -7.902 1.00 0.00 C ATOM 1068 C PRO A 70 -20.600 11.099 -8.057 1.00 0.00 C ATOM 1069 O PRO A 70 -20.443 11.940 -7.172 1.00 0.00 O ATOM 1070 CB PRO A 70 -22.887 10.512 -7.205 1.00 0.00 C ATOM 1071 CG PRO A 70 -23.359 9.378 -6.364 1.00 0.00 C ATOM 1072 CD PRO A 70 -22.122 8.648 -5.923 1.00 0.00 C ATOM 0 HA PRO A 70 -21.811 9.621 -8.913 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -22.664 11.389 -6.597 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -23.645 10.810 -7.929 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -23.927 9.738 -5.506 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -24.019 8.721 -6.930 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -21.757 9.018 -4.965 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -22.306 7.580 -5.803 1.00 0.00 H new ATOM 1080 N GLY A 71 -19.902 11.097 -9.188 1.00 0.00 N ATOM 1081 CA GLY A 71 -18.895 12.112 -9.440 1.00 0.00 C ATOM 1082 C GLY A 71 -17.582 11.523 -9.918 1.00 0.00 C ATOM 1083 O GLY A 71 -16.566 12.217 -9.967 1.00 0.00 O ATOM 0 H GLY A 71 -20.015 10.411 -9.934 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -19.269 12.812 -10.187 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -18.723 12.682 -8.527 1.00 0.00 H new ATOM 1087 N SER A 72 -17.602 10.240 -10.270 1.00 0.00 N ATOM 1088 CA SER A 72 -16.404 9.558 -10.748 1.00 0.00 C ATOM 1089 C SER A 72 -15.845 10.250 -11.986 1.00 0.00 C ATOM 1090 O SER A 72 -16.487 10.280 -13.036 1.00 0.00 O ATOM 1091 CB SER A 72 -16.717 8.095 -11.064 1.00 0.00 C ATOM 1092 OG SER A 72 -17.455 7.492 -10.015 1.00 0.00 O ATOM 0 H SER A 72 -18.435 9.652 -10.233 1.00 0.00 H new ATOM 0 HA SER A 72 -15.652 9.598 -9.960 1.00 0.00 H new ATOM 0 HB2 SER A 72 -17.284 8.034 -11.993 1.00 0.00 H new ATOM 0 HB3 SER A 72 -15.788 7.547 -11.221 1.00 0.00 H new ATOM 0 HG SER A 72 -16.951 6.732 -9.655 1.00 0.00 H new ATOM 1098 N ARG A 73 -14.645 10.807 -11.856 1.00 0.00 N ATOM 1099 CA ARG A 73 -13.999 11.502 -12.963 1.00 0.00 C ATOM 1100 C ARG A 73 -13.602 10.528 -14.066 1.00 0.00 C ATOM 1101 O ARG A 73 -13.739 10.834 -15.252 1.00 0.00 O ATOM 1102 CB ARG A 73 -12.764 12.258 -12.466 1.00 0.00 C ATOM 1103 CG ARG A 73 -13.011 13.738 -12.229 1.00 0.00 C ATOM 1104 CD ARG A 73 -12.501 14.580 -13.388 1.00 0.00 C ATOM 1105 NE ARG A 73 -13.591 15.095 -14.212 1.00 0.00 N ATOM 1106 CZ ARG A 73 -14.258 16.212 -13.938 1.00 0.00 C ATOM 1107 NH1 ARG A 73 -13.947 16.930 -12.867 1.00 0.00 N ATOM 1108 NH2 ARG A 73 -15.237 16.614 -14.737 1.00 0.00 N ATOM 0 H ARG A 73 -14.100 10.790 -10.994 1.00 0.00 H new ATOM 0 HA ARG A 73 -14.714 12.214 -13.375 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.419 11.803 -11.538 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -11.961 12.144 -13.195 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.078 13.913 -12.093 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -12.517 14.048 -11.308 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -11.915 15.413 -13.000 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -11.832 13.980 -14.005 1.00 0.00 H new ATOM 0 HE ARG A 73 -13.855 14.568 -15.044 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -13.194 16.626 -12.250 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -14.461 17.786 -12.660 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -15.479 16.066 -15.563 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -15.748 17.471 -14.526 1.00 0.00 H new ATOM 1122 N ASN A 74 -13.097 9.362 -13.668 1.00 0.00 N ATOM 1123 CA ASN A 74 -12.664 8.341 -14.620 1.00 0.00 C ATOM 1124 C ASN A 74 -11.435 8.829 -15.373 1.00 0.00 C ATOM 1125 O ASN A 74 -11.261 8.556 -16.561 1.00 0.00 O ATOM 1126 CB ASN A 74 -13.789 8.001 -15.602 1.00 0.00 C ATOM 1127 CG ASN A 74 -13.709 6.570 -16.099 1.00 0.00 C ATOM 1128 OD1 ASN A 74 -13.190 5.690 -15.412 1.00 0.00 O ATOM 1129 ND2 ASN A 74 -14.226 6.330 -17.299 1.00 0.00 N ATOM 0 H ASN A 74 -12.977 9.100 -12.689 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.410 7.435 -14.069 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.752 8.161 -15.117 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.743 8.681 -16.452 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -14.202 5.386 -17.685 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -14.647 7.090 -17.834 1.00 0.00 H new ATOM 1136 N LEU A 75 -10.576 9.534 -14.649 1.00 0.00 N ATOM 1137 CA LEU A 75 -9.341 10.058 -15.187 1.00 0.00 C ATOM 1138 C LEU A 75 -8.464 8.946 -15.684 1.00 0.00 C ATOM 1139 O LEU A 75 -7.899 8.981 -16.778 1.00 0.00 O ATOM 1140 CB LEU A 75 -8.612 10.751 -14.061 1.00 0.00 C ATOM 1141 CG LEU A 75 -8.854 12.255 -13.945 1.00 0.00 C ATOM 1142 CD1 LEU A 75 -8.161 12.817 -12.714 1.00 0.00 C ATOM 1143 CD2 LEU A 75 -8.383 12.974 -15.201 1.00 0.00 C ATOM 0 H LEU A 75 -10.724 9.757 -13.665 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.564 10.734 -16.012 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.901 10.281 -13.121 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.542 10.582 -14.186 1.00 0.00 H new ATOM 0 HG LEU A 75 -9.926 12.420 -13.839 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.346 13.889 -12.650 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.551 12.328 -11.822 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -7.088 12.638 -12.787 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.565 14.044 -15.098 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.316 12.799 -15.342 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.930 12.595 -16.064 1.00 0.00 H new ATOM 1155 N CYS A 76 -8.372 7.971 -14.827 1.00 0.00 N ATOM 1156 CA CYS A 76 -7.588 6.797 -15.055 1.00 0.00 C ATOM 1157 C CYS A 76 -8.303 5.872 -16.029 1.00 0.00 C ATOM 1158 O CYS A 76 -7.672 5.125 -16.776 1.00 0.00 O ATOM 1159 CB CYS A 76 -7.388 6.133 -13.714 1.00 0.00 C ATOM 1160 SG CYS A 76 -5.698 5.541 -13.399 1.00 0.00 S ATOM 0 H CYS A 76 -8.853 7.973 -13.928 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.624 7.044 -15.499 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -7.662 6.839 -12.930 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -8.074 5.289 -13.637 1.00 0.00 H new ATOM 1165 N ASN A 77 -9.633 5.935 -16.004 1.00 0.00 N ATOM 1166 CA ASN A 77 -10.458 5.106 -16.872 1.00 0.00 C ATOM 1167 C ASN A 77 -10.034 3.654 -16.733 1.00 0.00 C ATOM 1168 O ASN A 77 -9.685 2.994 -17.712 1.00 0.00 O ATOM 1169 CB ASN A 77 -10.331 5.559 -18.329 1.00 0.00 C ATOM 1170 CG ASN A 77 -11.512 5.124 -19.175 1.00 0.00 C ATOM 1171 OD1 ASN A 77 -11.658 3.946 -19.498 1.00 0.00 O ATOM 1172 ND2 ASN A 77 -12.363 6.077 -19.537 1.00 0.00 N ATOM 0 H ASN A 77 -10.161 6.554 -15.389 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.502 5.208 -16.575 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -10.244 6.645 -18.363 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -9.414 5.152 -18.754 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -13.177 5.845 -20.106 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -12.203 7.041 -19.246 1.00 0.00 H new ATOM 1179 N ILE A 78 -10.047 3.174 -15.497 1.00 0.00 N ATOM 1180 CA ILE A 78 -9.642 1.810 -15.212 1.00 0.00 C ATOM 1181 C ILE A 78 -10.715 1.049 -14.443 1.00 0.00 C ATOM 1182 O ILE A 78 -11.537 1.648 -13.754 1.00 0.00 O ATOM 1183 CB ILE A 78 -8.327 1.777 -14.402 1.00 0.00 C ATOM 1184 CG1 ILE A 78 -8.609 1.532 -12.908 1.00 0.00 C ATOM 1185 CG2 ILE A 78 -7.566 3.072 -14.612 1.00 0.00 C ATOM 1186 CD1 ILE A 78 -7.700 2.294 -11.964 1.00 0.00 C ATOM 0 H ILE A 78 -10.334 3.711 -14.678 1.00 0.00 H new ATOM 0 HA ILE A 78 -9.489 1.325 -16.176 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.712 0.950 -14.757 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.643 1.805 -12.697 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -8.513 0.466 -12.703 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.639 3.046 -14.039 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -7.336 3.191 -15.671 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -8.176 3.911 -14.277 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.969 2.062 -10.933 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.665 2.004 -12.143 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.812 3.364 -12.136 1.00 0.00 H new ATOM 1198 N PRO A 79 -10.700 -0.291 -14.520 1.00 0.00 N ATOM 1199 CA PRO A 79 -11.651 -1.116 -13.788 1.00 0.00 C ATOM 1200 C PRO A 79 -11.234 -1.208 -12.325 1.00 0.00 C ATOM 1201 O PRO A 79 -10.229 -1.840 -11.997 1.00 0.00 O ATOM 1202 CB PRO A 79 -11.544 -2.472 -14.482 1.00 0.00 C ATOM 1203 CG PRO A 79 -10.145 -2.524 -14.997 1.00 0.00 C ATOM 1204 CD PRO A 79 -9.737 -1.102 -15.290 1.00 0.00 C ATOM 0 HA PRO A 79 -12.669 -0.726 -13.791 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -11.741 -3.289 -13.788 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -12.268 -2.561 -15.292 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -9.478 -2.974 -14.261 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -10.086 -3.136 -15.897 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -8.711 -0.908 -14.977 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -9.792 -0.882 -16.356 1.00 0.00 H new ATOM 1212 N CYS A 80 -11.987 -0.551 -11.454 1.00 0.00 N ATOM 1213 CA CYS A 80 -11.671 -0.534 -10.032 1.00 0.00 C ATOM 1214 C CYS A 80 -11.659 -1.943 -9.438 1.00 0.00 C ATOM 1215 O CYS A 80 -10.651 -2.379 -8.888 1.00 0.00 O ATOM 1216 CB CYS A 80 -12.664 0.364 -9.291 1.00 0.00 C ATOM 1217 SG CYS A 80 -13.260 1.778 -10.283 1.00 0.00 S ATOM 0 H CYS A 80 -12.822 -0.022 -11.707 1.00 0.00 H new ATOM 0 HA CYS A 80 -10.666 -0.129 -9.911 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -13.519 -0.235 -8.979 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -12.192 0.742 -8.384 1.00 0.00 H new ATOM 1222 N SER A 81 -12.783 -2.646 -9.534 1.00 0.00 N ATOM 1223 CA SER A 81 -12.890 -4.000 -8.988 1.00 0.00 C ATOM 1224 C SER A 81 -11.810 -4.931 -9.546 1.00 0.00 C ATOM 1225 O SER A 81 -11.457 -5.926 -8.911 1.00 0.00 O ATOM 1226 CB SER A 81 -14.274 -4.578 -9.284 1.00 0.00 C ATOM 1227 OG SER A 81 -14.472 -4.741 -10.678 1.00 0.00 O ATOM 0 H SER A 81 -13.632 -2.304 -9.983 1.00 0.00 H new ATOM 0 HA SER A 81 -12.743 -3.929 -7.910 1.00 0.00 H new ATOM 0 HB2 SER A 81 -14.384 -5.540 -8.783 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.041 -3.918 -8.879 1.00 0.00 H new ATOM 0 HG SER A 81 -15.364 -5.114 -10.840 1.00 0.00 H new ATOM 1233 N ALA A 82 -11.291 -4.614 -10.730 1.00 0.00 N ATOM 1234 CA ALA A 82 -10.257 -5.441 -11.355 1.00 0.00 C ATOM 1235 C ALA A 82 -8.926 -5.320 -10.617 1.00 0.00 C ATOM 1236 O ALA A 82 -7.987 -6.074 -10.880 1.00 0.00 O ATOM 1237 CB ALA A 82 -10.088 -5.061 -12.816 1.00 0.00 C ATOM 0 H ALA A 82 -11.566 -3.796 -11.274 1.00 0.00 H new ATOM 0 HA ALA A 82 -10.579 -6.481 -11.295 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -9.316 -5.684 -13.267 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -11.030 -5.212 -13.343 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.796 -4.013 -12.888 1.00 0.00 H new ATOM 1243 N LEU A 83 -8.859 -4.374 -9.691 1.00 0.00 N ATOM 1244 CA LEU A 83 -7.650 -4.156 -8.905 1.00 0.00 C ATOM 1245 C LEU A 83 -7.793 -4.792 -7.529 1.00 0.00 C ATOM 1246 O LEU A 83 -6.834 -4.866 -6.761 1.00 0.00 O ATOM 1247 CB LEU A 83 -7.355 -2.656 -8.769 1.00 0.00 C ATOM 1248 CG LEU A 83 -7.983 -1.965 -7.555 1.00 0.00 C ATOM 1249 CD1 LEU A 83 -6.977 -1.859 -6.420 1.00 0.00 C ATOM 1250 CD2 LEU A 83 -8.501 -0.587 -7.938 1.00 0.00 C ATOM 0 H LEU A 83 -9.628 -3.744 -9.464 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.814 -4.625 -9.424 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.275 -2.519 -8.724 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -7.702 -2.152 -9.671 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.824 -2.568 -7.212 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.442 -1.365 -5.567 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.651 -2.857 -6.128 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.116 -1.278 -6.750 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.944 -0.109 -7.064 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -7.676 0.023 -8.305 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -9.255 -0.686 -8.719 1.00 0.00 H new ATOM 1262 N LEU A 84 -9.006 -5.238 -7.224 1.00 0.00 N ATOM 1263 CA LEU A 84 -9.298 -5.855 -5.941 1.00 0.00 C ATOM 1264 C LEU A 84 -9.570 -7.348 -6.099 1.00 0.00 C ATOM 1265 O LEU A 84 -10.457 -7.902 -5.450 1.00 0.00 O ATOM 1266 CB LEU A 84 -10.498 -5.155 -5.310 1.00 0.00 C ATOM 1267 CG LEU A 84 -10.620 -3.678 -5.679 1.00 0.00 C ATOM 1268 CD1 LEU A 84 -12.072 -3.232 -5.649 1.00 0.00 C ATOM 1269 CD2 LEU A 84 -9.774 -2.825 -4.748 1.00 0.00 C ATOM 0 H LEU A 84 -9.806 -5.182 -7.854 1.00 0.00 H new ATOM 0 HA LEU A 84 -8.430 -5.747 -5.290 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -11.408 -5.671 -5.614 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.429 -5.244 -4.226 1.00 0.00 H new ATOM 0 HG LEU A 84 -10.249 -3.547 -6.695 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -12.134 -2.177 -5.915 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -12.648 -3.821 -6.363 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -12.477 -3.378 -4.648 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -9.873 -1.776 -5.026 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -10.112 -2.962 -3.721 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.729 -3.125 -4.829 1.00 0.00 H new ATOM 1281 N SER A 85 -8.787 -7.992 -6.955 1.00 0.00 N ATOM 1282 CA SER A 85 -8.928 -9.427 -7.189 1.00 0.00 C ATOM 1283 C SER A 85 -7.603 -10.135 -6.968 1.00 0.00 C ATOM 1284 O SER A 85 -7.263 -11.099 -7.655 1.00 0.00 O ATOM 1285 CB SER A 85 -9.457 -9.700 -8.598 1.00 0.00 C ATOM 1286 OG SER A 85 -9.364 -8.544 -9.413 1.00 0.00 O ATOM 0 H SER A 85 -8.048 -7.546 -7.499 1.00 0.00 H new ATOM 0 HA SER A 85 -9.652 -9.819 -6.474 1.00 0.00 H new ATOM 0 HB2 SER A 85 -8.891 -10.514 -9.051 1.00 0.00 H new ATOM 0 HB3 SER A 85 -10.495 -10.027 -8.543 1.00 0.00 H new ATOM 0 HG SER A 85 -9.707 -8.746 -10.308 1.00 0.00 H new ATOM 1292 N SER A 86 -6.866 -9.614 -6.006 1.00 0.00 N ATOM 1293 CA SER A 86 -5.551 -10.134 -5.643 1.00 0.00 C ATOM 1294 C SER A 86 -4.587 -9.818 -6.763 1.00 0.00 C ATOM 1295 O SER A 86 -3.559 -10.472 -6.940 1.00 0.00 O ATOM 1296 CB SER A 86 -5.604 -11.643 -5.387 1.00 0.00 C ATOM 1297 OG SER A 86 -4.384 -12.110 -4.838 1.00 0.00 O ATOM 0 H SER A 86 -7.160 -8.813 -5.448 1.00 0.00 H new ATOM 0 HA SER A 86 -5.217 -9.662 -4.719 1.00 0.00 H new ATOM 0 HB2 SER A 86 -6.424 -11.871 -4.706 1.00 0.00 H new ATOM 0 HB3 SER A 86 -5.810 -12.166 -6.321 1.00 0.00 H new ATOM 0 HG SER A 86 -3.632 -11.709 -5.322 1.00 0.00 H new ATOM 1303 N ASP A 87 -4.975 -8.823 -7.540 1.00 0.00 N ATOM 1304 CA ASP A 87 -4.222 -8.388 -8.694 1.00 0.00 C ATOM 1305 C ASP A 87 -3.860 -6.912 -8.591 1.00 0.00 C ATOM 1306 O ASP A 87 -4.743 -6.055 -8.558 1.00 0.00 O ATOM 1307 CB ASP A 87 -5.093 -8.626 -9.915 1.00 0.00 C ATOM 1308 CG ASP A 87 -4.322 -8.545 -11.217 1.00 0.00 C ATOM 1309 OD1 ASP A 87 -3.183 -9.055 -11.267 1.00 0.00 O ATOM 1310 OD2 ASP A 87 -4.857 -7.971 -12.189 1.00 0.00 O ATOM 0 H ASP A 87 -5.831 -8.291 -7.383 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.288 -8.945 -8.762 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.560 -9.608 -9.836 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.898 -7.891 -9.929 1.00 0.00 H new ATOM 1315 N ILE A 88 -2.566 -6.612 -8.547 1.00 0.00 N ATOM 1316 CA ILE A 88 -2.115 -5.229 -8.456 1.00 0.00 C ATOM 1317 C ILE A 88 -2.053 -4.585 -9.832 1.00 0.00 C ATOM 1318 O ILE A 88 -1.803 -3.390 -9.948 1.00 0.00 O ATOM 1319 CB ILE A 88 -0.724 -5.115 -7.800 1.00 0.00 C ATOM 1320 CG1 ILE A 88 0.126 -6.349 -8.113 1.00 0.00 C ATOM 1321 CG2 ILE A 88 -0.857 -4.922 -6.299 1.00 0.00 C ATOM 1322 CD1 ILE A 88 1.614 -6.072 -8.113 1.00 0.00 C ATOM 0 H ILE A 88 -1.816 -7.303 -8.573 1.00 0.00 H new ATOM 0 HA ILE A 88 -2.843 -4.710 -7.833 1.00 0.00 H new ATOM 0 HB ILE A 88 -0.221 -4.242 -8.215 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.091 -7.126 -7.380 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -0.163 -6.742 -9.088 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.134 -4.844 -5.853 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.419 -4.010 -6.098 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.382 -5.774 -5.868 1.00 0.00 H new ATOM 0 HD11 ILE A 88 2.155 -6.990 -8.342 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.844 -5.318 -8.866 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.916 -5.708 -7.131 1.00 0.00 H new ATOM 1334 N THR A 89 -2.263 -5.386 -10.872 1.00 0.00 N ATOM 1335 CA THR A 89 -2.215 -4.890 -12.242 1.00 0.00 C ATOM 1336 C THR A 89 -3.034 -3.614 -12.412 1.00 0.00 C ATOM 1337 O THR A 89 -2.504 -2.582 -12.819 1.00 0.00 O ATOM 1338 CB THR A 89 -2.727 -5.947 -13.239 1.00 0.00 C ATOM 1339 OG1 THR A 89 -2.125 -7.216 -12.958 1.00 0.00 O ATOM 1340 CG2 THR A 89 -2.414 -5.538 -14.670 1.00 0.00 C ATOM 0 H THR A 89 -2.468 -6.382 -10.791 1.00 0.00 H new ATOM 0 HA THR A 89 -1.168 -4.670 -12.452 1.00 0.00 H new ATOM 0 HB THR A 89 -3.809 -6.025 -13.129 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.456 -7.883 -13.595 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.785 -6.300 -15.356 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.897 -4.586 -14.890 1.00 0.00 H new ATOM 0 HG23 THR A 89 -1.336 -5.435 -14.791 1.00 0.00 H new ATOM 1348 N ALA A 90 -4.327 -3.692 -12.117 1.00 0.00 N ATOM 1349 CA ALA A 90 -5.212 -2.551 -12.259 1.00 0.00 C ATOM 1350 C ALA A 90 -4.793 -1.381 -11.368 1.00 0.00 C ATOM 1351 O ALA A 90 -4.737 -0.236 -11.820 1.00 0.00 O ATOM 1352 CB ALA A 90 -6.646 -2.958 -11.963 1.00 0.00 C ATOM 0 H ALA A 90 -4.783 -4.539 -11.777 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.142 -2.210 -13.292 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.300 -2.093 -12.073 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -6.954 -3.737 -12.660 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.714 -3.336 -10.943 1.00 0.00 H new ATOM 1358 N SER A 91 -4.493 -1.671 -10.103 1.00 0.00 N ATOM 1359 CA SER A 91 -4.075 -0.638 -9.157 1.00 0.00 C ATOM 1360 C SER A 91 -2.780 0.024 -9.603 1.00 0.00 C ATOM 1361 O SER A 91 -2.585 1.227 -9.414 1.00 0.00 O ATOM 1362 CB SER A 91 -3.900 -1.232 -7.759 1.00 0.00 C ATOM 1363 OG SER A 91 -4.152 -2.628 -7.764 1.00 0.00 O ATOM 0 H SER A 91 -4.532 -2.611 -9.710 1.00 0.00 H new ATOM 0 HA SER A 91 -4.857 0.121 -9.127 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.887 -1.043 -7.404 1.00 0.00 H new ATOM 0 HB3 SER A 91 -4.579 -0.739 -7.063 1.00 0.00 H new ATOM 0 HG SER A 91 -4.032 -2.985 -6.859 1.00 0.00 H new ATOM 1369 N VAL A 92 -1.900 -0.763 -10.199 1.00 0.00 N ATOM 1370 CA VAL A 92 -0.636 -0.227 -10.662 1.00 0.00 C ATOM 1371 C VAL A 92 -0.829 0.594 -11.914 1.00 0.00 C ATOM 1372 O VAL A 92 -0.354 1.712 -11.986 1.00 0.00 O ATOM 1373 CB VAL A 92 0.430 -1.303 -10.939 1.00 0.00 C ATOM 1374 CG1 VAL A 92 1.612 -0.681 -11.682 1.00 0.00 C ATOM 1375 CG2 VAL A 92 0.885 -1.955 -9.643 1.00 0.00 C ATOM 0 H VAL A 92 -2.036 -1.759 -10.371 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.271 0.395 -9.845 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.007 -2.080 -11.566 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.364 -1.446 -11.876 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.268 -0.263 -12.628 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.049 0.110 -11.073 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.638 -2.712 -9.861 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.312 -1.198 -8.985 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.032 -2.423 -9.152 1.00 0.00 H new ATOM 1385 N ASN A 93 -1.527 0.043 -12.900 1.00 0.00 N ATOM 1386 CA ASN A 93 -1.767 0.750 -14.131 1.00 0.00 C ATOM 1387 C ASN A 93 -2.164 2.187 -13.845 1.00 0.00 C ATOM 1388 O ASN A 93 -1.685 3.125 -14.488 1.00 0.00 O ATOM 1389 CB ASN A 93 -2.835 0.034 -14.937 1.00 0.00 C ATOM 1390 CG ASN A 93 -4.023 0.913 -15.275 1.00 0.00 C ATOM 1391 OD1 ASN A 93 -3.949 1.764 -16.162 1.00 0.00 O ATOM 1392 ND2 ASN A 93 -5.129 0.711 -14.568 1.00 0.00 N ATOM 0 H ASN A 93 -1.933 -0.892 -12.861 1.00 0.00 H new ATOM 0 HA ASN A 93 -0.850 0.769 -14.719 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.394 -0.339 -15.861 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -3.182 -0.834 -14.377 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -5.961 1.272 -14.751 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -5.146 -0.005 -13.842 1.00 0.00 H new ATOM 1399 N CYS A 94 -3.028 2.353 -12.852 1.00 0.00 N ATOM 1400 CA CYS A 94 -3.476 3.672 -12.458 1.00 0.00 C ATOM 1401 C CYS A 94 -2.311 4.496 -11.933 1.00 0.00 C ATOM 1402 O CYS A 94 -2.124 5.642 -12.338 1.00 0.00 O ATOM 1403 CB CYS A 94 -4.569 3.579 -11.395 1.00 0.00 C ATOM 1404 SG CYS A 94 -5.754 4.958 -11.455 1.00 0.00 S ATOM 0 H CYS A 94 -3.429 1.589 -12.309 1.00 0.00 H new ATOM 0 HA CYS A 94 -3.888 4.164 -13.339 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -5.109 2.640 -11.520 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -4.105 3.551 -10.409 1.00 0.00 H new ATOM 1409 N ALA A 95 -1.524 3.912 -11.029 1.00 0.00 N ATOM 1410 CA ALA A 95 -0.383 4.626 -10.468 1.00 0.00 C ATOM 1411 C ALA A 95 0.693 4.833 -11.519 1.00 0.00 C ATOM 1412 O ALA A 95 1.345 5.869 -11.543 1.00 0.00 O ATOM 1413 CB ALA A 95 0.180 3.918 -9.261 1.00 0.00 C ATOM 0 H ALA A 95 -1.654 2.964 -10.676 1.00 0.00 H new ATOM 0 HA ALA A 95 -0.739 5.603 -10.140 1.00 0.00 H new ATOM 0 HB1 ALA A 95 1.028 4.481 -8.872 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.589 3.843 -8.492 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.508 2.918 -9.546 1.00 0.00 H new ATOM 1419 N LYS A 96 0.862 3.855 -12.403 1.00 0.00 N ATOM 1420 CA LYS A 96 1.837 3.968 -13.469 1.00 0.00 C ATOM 1421 C LYS A 96 1.580 5.293 -14.175 1.00 0.00 C ATOM 1422 O LYS A 96 2.495 6.012 -14.582 1.00 0.00 O ATOM 1423 CB LYS A 96 1.695 2.806 -14.455 1.00 0.00 C ATOM 1424 CG LYS A 96 3.010 2.378 -15.084 1.00 0.00 C ATOM 1425 CD LYS A 96 2.783 1.557 -16.344 1.00 0.00 C ATOM 1426 CE LYS A 96 3.053 2.372 -17.598 1.00 0.00 C ATOM 1427 NZ LYS A 96 2.182 1.954 -18.730 1.00 0.00 N ATOM 0 H LYS A 96 0.336 2.981 -12.398 1.00 0.00 H new ATOM 0 HA LYS A 96 2.849 3.933 -13.066 1.00 0.00 H new ATOM 0 HB2 LYS A 96 1.255 1.953 -13.938 1.00 0.00 H new ATOM 0 HB3 LYS A 96 1.001 3.093 -15.245 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.604 3.260 -15.325 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.585 1.793 -14.366 1.00 0.00 H new ATOM 0 HD2 LYS A 96 3.433 0.682 -16.331 1.00 0.00 H new ATOM 0 HD3 LYS A 96 1.756 1.191 -16.361 1.00 0.00 H new ATOM 0 HE2 LYS A 96 2.891 3.429 -17.386 1.00 0.00 H new ATOM 0 HE3 LYS A 96 4.099 2.261 -17.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 2.397 2.534 -19.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 2.355 0.952 -18.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 1.184 2.083 -18.467 1.00 0.00 H new ATOM 1441 N LYS A 97 0.289 5.608 -14.251 1.00 0.00 N ATOM 1442 CA LYS A 97 -0.181 6.848 -14.843 1.00 0.00 C ATOM 1443 C LYS A 97 -0.077 7.978 -13.825 1.00 0.00 C ATOM 1444 O LYS A 97 0.102 9.141 -14.187 1.00 0.00 O ATOM 1445 CB LYS A 97 -1.625 6.701 -15.323 1.00 0.00 C ATOM 1446 CG LYS A 97 -2.032 7.739 -16.357 1.00 0.00 C ATOM 1447 CD LYS A 97 -3.434 8.265 -16.095 1.00 0.00 C ATOM 1448 CE LYS A 97 -3.798 9.381 -17.061 1.00 0.00 C ATOM 1449 NZ LYS A 97 -5.149 9.939 -16.781 1.00 0.00 N ATOM 0 H LYS A 97 -0.458 5.007 -13.902 1.00 0.00 H new ATOM 0 HA LYS A 97 0.444 7.084 -15.704 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.758 5.706 -15.748 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -2.293 6.774 -14.465 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.323 8.567 -16.342 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.987 7.299 -17.353 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -4.153 7.451 -16.189 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.501 8.632 -15.071 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.056 10.176 -16.993 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.766 9.002 -18.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -5.346 10.720 -17.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -5.864 9.194 -16.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -5.182 10.294 -15.804 1.00 0.00 H new ATOM 1463 N ILE A 98 -0.178 7.623 -12.542 1.00 0.00 N ATOM 1464 CA ILE A 98 -0.081 8.605 -11.471 1.00 0.00 C ATOM 1465 C ILE A 98 1.325 9.199 -11.412 1.00 0.00 C ATOM 1466 O ILE A 98 1.498 10.413 -11.329 1.00 0.00 O ATOM 1467 CB ILE A 98 -0.448 8.006 -10.097 1.00 0.00 C ATOM 1468 CG1 ILE A 98 -1.936 7.642 -10.060 1.00 0.00 C ATOM 1469 CG2 ILE A 98 -0.119 8.993 -8.983 1.00 0.00 C ATOM 1470 CD1 ILE A 98 -2.348 6.894 -8.810 1.00 0.00 C ATOM 0 H ILE A 98 -0.326 6.665 -12.225 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.801 9.392 -11.697 1.00 0.00 H new ATOM 0 HB ILE A 98 0.139 7.101 -9.943 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -2.526 8.555 -10.138 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -2.174 7.033 -10.932 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -0.383 8.556 -8.020 1.00 0.00 H new ATOM 0 HG22 ILE A 98 0.948 9.217 -8.999 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -0.685 9.912 -9.132 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -3.414 6.670 -8.854 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.785 5.964 -8.740 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.143 7.509 -7.934 1.00 0.00 H new ATOM 1482 N VAL A 99 2.323 8.321 -11.443 1.00 0.00 N ATOM 1483 CA VAL A 99 3.721 8.725 -11.386 1.00 0.00 C ATOM 1484 C VAL A 99 4.213 9.263 -12.730 1.00 0.00 C ATOM 1485 O VAL A 99 5.175 10.030 -12.779 1.00 0.00 O ATOM 1486 CB VAL A 99 4.616 7.549 -10.957 1.00 0.00 C ATOM 1487 CG1 VAL A 99 4.677 6.490 -12.048 1.00 0.00 C ATOM 1488 CG2 VAL A 99 6.010 8.038 -10.602 1.00 0.00 C ATOM 0 H VAL A 99 2.184 7.313 -11.508 1.00 0.00 H new ATOM 0 HA VAL A 99 3.786 9.523 -10.646 1.00 0.00 H new ATOM 0 HB VAL A 99 4.178 7.094 -10.069 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.315 5.669 -11.722 1.00 0.00 H new ATOM 0 HG12 VAL A 99 3.673 6.113 -12.246 1.00 0.00 H new ATOM 0 HG13 VAL A 99 5.086 6.928 -12.958 1.00 0.00 H new ATOM 0 HG21 VAL A 99 6.627 7.191 -10.301 1.00 0.00 H new ATOM 0 HG22 VAL A 99 6.457 8.523 -11.470 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.947 8.751 -9.780 1.00 0.00 H new ATOM 1498 N SER A 100 3.556 8.864 -13.818 1.00 0.00 N ATOM 1499 CA SER A 100 3.950 9.322 -15.148 1.00 0.00 C ATOM 1500 C SER A 100 3.286 10.653 -15.497 1.00 0.00 C ATOM 1501 O SER A 100 3.784 11.405 -16.335 1.00 0.00 O ATOM 1502 CB SER A 100 3.589 8.271 -16.200 1.00 0.00 C ATOM 1503 OG SER A 100 2.203 8.300 -16.495 1.00 0.00 O ATOM 0 H SER A 100 2.756 8.231 -13.805 1.00 0.00 H new ATOM 0 HA SER A 100 5.030 9.470 -15.142 1.00 0.00 H new ATOM 0 HB2 SER A 100 4.162 8.451 -17.110 1.00 0.00 H new ATOM 0 HB3 SER A 100 3.867 7.281 -15.839 1.00 0.00 H new ATOM 0 HG SER A 100 1.998 7.620 -17.171 1.00 0.00 H new ATOM 1509 N ASP A 101 2.154 10.934 -14.857 1.00 0.00 N ATOM 1510 CA ASP A 101 1.420 12.171 -15.112 1.00 0.00 C ATOM 1511 C ASP A 101 1.422 13.089 -13.893 1.00 0.00 C ATOM 1512 O ASP A 101 1.022 14.251 -13.982 1.00 0.00 O ATOM 1513 CB ASP A 101 -0.020 11.857 -15.522 1.00 0.00 C ATOM 1514 CG ASP A 101 -0.408 12.524 -16.827 1.00 0.00 C ATOM 1515 OD1 ASP A 101 -0.804 13.709 -16.793 1.00 0.00 O ATOM 1516 OD2 ASP A 101 -0.315 11.864 -17.883 1.00 0.00 O ATOM 0 H ASP A 101 1.726 10.324 -14.160 1.00 0.00 H new ATOM 0 HA ASP A 101 1.925 12.691 -15.926 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -0.140 10.778 -15.619 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -0.699 12.184 -14.734 1.00 0.00 H new ATOM 1521 N GLY A 102 1.865 12.565 -12.755 1.00 0.00 N ATOM 1522 CA GLY A 102 1.895 13.360 -11.539 1.00 0.00 C ATOM 1523 C GLY A 102 3.221 13.273 -10.810 1.00 0.00 C ATOM 1524 O GLY A 102 4.282 13.462 -11.408 1.00 0.00 O ATOM 0 H GLY A 102 2.203 11.608 -12.652 1.00 0.00 H new ATOM 0 HA2 GLY A 102 1.690 14.401 -11.787 1.00 0.00 H new ATOM 0 HA3 GLY A 102 1.098 13.028 -10.874 1.00 0.00 H new ATOM 1528 N ASN A 103 3.160 12.991 -9.511 1.00 0.00 N ATOM 1529 CA ASN A 103 4.361 12.886 -8.691 1.00 0.00 C ATOM 1530 C ASN A 103 4.711 11.426 -8.419 1.00 0.00 C ATOM 1531 O ASN A 103 3.860 10.544 -8.522 1.00 0.00 O ATOM 1532 CB ASN A 103 4.168 13.630 -7.369 1.00 0.00 C ATOM 1533 CG ASN A 103 5.003 14.893 -7.289 1.00 0.00 C ATOM 1534 OD1 ASN A 103 6.142 14.870 -6.825 1.00 0.00 O ATOM 1535 ND2 ASN A 103 4.436 16.006 -7.743 1.00 0.00 N ATOM 0 H ASN A 103 2.289 12.831 -9.004 1.00 0.00 H new ATOM 0 HA ASN A 103 5.185 13.341 -9.240 1.00 0.00 H new ATOM 0 HB2 ASN A 103 3.115 13.886 -7.250 1.00 0.00 H new ATOM 0 HB3 ASN A 103 4.432 12.970 -6.542 1.00 0.00 H new ATOM 0 HD21 ASN A 103 4.948 16.888 -7.715 1.00 0.00 H new ATOM 0 HD22 ASN A 103 3.488 15.979 -8.120 1.00 0.00 H new ATOM 1542 N GLY A 104 5.973 11.183 -8.079 1.00 0.00 N ATOM 1543 CA GLY A 104 6.426 9.832 -7.805 1.00 0.00 C ATOM 1544 C GLY A 104 5.803 9.233 -6.560 1.00 0.00 C ATOM 1545 O GLY A 104 4.597 8.999 -6.511 1.00 0.00 O ATOM 0 H GLY A 104 6.692 11.901 -7.988 1.00 0.00 H new ATOM 0 HA2 GLY A 104 6.194 9.198 -8.660 1.00 0.00 H new ATOM 0 HA3 GLY A 104 7.510 9.835 -7.695 1.00 0.00 H new ATOM 1549 N MET A 105 6.633 8.984 -5.552 1.00 0.00 N ATOM 1550 CA MET A 105 6.175 8.405 -4.298 1.00 0.00 C ATOM 1551 C MET A 105 5.685 9.493 -3.360 1.00 0.00 C ATOM 1552 O MET A 105 5.258 9.219 -2.238 1.00 0.00 O ATOM 1553 CB MET A 105 7.316 7.635 -3.631 1.00 0.00 C ATOM 1554 CG MET A 105 8.326 7.063 -4.612 1.00 0.00 C ATOM 1555 SD MET A 105 7.558 6.049 -5.888 1.00 0.00 S ATOM 1556 CE MET A 105 6.459 5.051 -4.892 1.00 0.00 C ATOM 0 H MET A 105 7.634 9.177 -5.582 1.00 0.00 H new ATOM 0 HA MET A 105 5.352 7.723 -4.512 1.00 0.00 H new ATOM 0 HB2 MET A 105 7.833 8.298 -2.937 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.896 6.821 -3.040 1.00 0.00 H new ATOM 0 HG2 MET A 105 8.872 7.880 -5.083 1.00 0.00 H new ATOM 0 HG3 MET A 105 9.056 6.464 -4.068 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.405 4.045 -5.307 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.837 5.002 -3.871 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.464 5.497 -4.890 1.00 0.00 H new ATOM 1566 N ASN A 106 5.768 10.733 -3.821 1.00 0.00 N ATOM 1567 CA ASN A 106 5.355 11.876 -3.026 1.00 0.00 C ATOM 1568 C ASN A 106 3.835 12.000 -2.974 1.00 0.00 C ATOM 1569 O ASN A 106 3.279 12.462 -1.979 1.00 0.00 O ATOM 1570 CB ASN A 106 5.966 13.148 -3.608 1.00 0.00 C ATOM 1571 CG ASN A 106 7.287 12.888 -4.306 1.00 0.00 C ATOM 1572 OD1 ASN A 106 7.325 12.612 -5.506 1.00 0.00 O ATOM 1573 ND2 ASN A 106 8.379 12.974 -3.556 1.00 0.00 N ATOM 0 H ASN A 106 6.120 10.972 -4.748 1.00 0.00 H new ATOM 0 HA ASN A 106 5.710 11.731 -2.006 1.00 0.00 H new ATOM 0 HB2 ASN A 106 5.266 13.593 -4.315 1.00 0.00 H new ATOM 0 HB3 ASN A 106 6.117 13.874 -2.809 1.00 0.00 H new ATOM 0 HD21 ASN A 106 9.296 12.809 -3.970 1.00 0.00 H new ATOM 0 HD22 ASN A 106 8.301 13.205 -2.566 1.00 0.00 H new ATOM 1580 N ALA A 107 3.170 11.591 -4.051 1.00 0.00 N ATOM 1581 CA ALA A 107 1.714 11.665 -4.124 1.00 0.00 C ATOM 1582 C ALA A 107 1.068 11.007 -2.909 1.00 0.00 C ATOM 1583 O ALA A 107 0.184 11.584 -2.274 1.00 0.00 O ATOM 1584 CB ALA A 107 1.217 11.014 -5.405 1.00 0.00 C ATOM 0 H ALA A 107 3.615 11.206 -4.884 1.00 0.00 H new ATOM 0 HA ALA A 107 1.428 12.717 -4.129 1.00 0.00 H new ATOM 0 HB1 ALA A 107 0.130 11.076 -5.447 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.643 11.531 -6.265 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.521 9.968 -5.423 1.00 0.00 H new ATOM 1590 N TRP A 108 1.510 9.795 -2.598 1.00 0.00 N ATOM 1591 CA TRP A 108 0.974 9.052 -1.467 1.00 0.00 C ATOM 1592 C TRP A 108 1.580 9.546 -0.156 1.00 0.00 C ATOM 1593 O TRP A 108 2.786 9.776 -0.057 1.00 0.00 O ATOM 1594 CB TRP A 108 1.215 7.556 -1.666 1.00 0.00 C ATOM 1595 CG TRP A 108 0.604 7.044 -2.938 1.00 0.00 C ATOM 1596 CD1 TRP A 108 -0.694 6.668 -3.129 1.00 0.00 C ATOM 1597 CD2 TRP A 108 1.262 6.870 -4.198 1.00 0.00 C ATOM 1598 NE1 TRP A 108 -0.882 6.264 -4.430 1.00 0.00 N ATOM 1599 CE2 TRP A 108 0.303 6.380 -5.108 1.00 0.00 C ATOM 1600 CE3 TRP A 108 2.568 7.080 -4.646 1.00 0.00 C ATOM 1601 CZ2 TRP A 108 0.612 6.098 -6.439 1.00 0.00 C ATOM 1602 CZ3 TRP A 108 2.872 6.800 -5.964 1.00 0.00 C ATOM 1603 CH2 TRP A 108 1.899 6.315 -6.848 1.00 0.00 C ATOM 0 H TRP A 108 2.240 9.305 -3.115 1.00 0.00 H new ATOM 0 HA TRP A 108 -0.101 9.221 -1.411 1.00 0.00 H new ATOM 0 HB2 TRP A 108 2.287 7.361 -1.677 1.00 0.00 H new ATOM 0 HB3 TRP A 108 0.800 7.008 -0.820 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -1.461 6.685 -2.369 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -1.761 5.932 -4.826 1.00 0.00 H new ATOM 0 HE3 TRP A 108 3.326 7.454 -3.974 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -0.137 5.723 -7.121 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 3.879 6.958 -6.320 1.00 0.00 H new ATOM 0 HH2 TRP A 108 2.171 6.108 -7.873 1.00 0.00 H new ATOM 1614 N VAL A 109 0.715 9.746 0.832 1.00 0.00 N ATOM 1615 CA VAL A 109 1.118 10.259 2.141 1.00 0.00 C ATOM 1616 C VAL A 109 1.776 9.217 3.037 1.00 0.00 C ATOM 1617 O VAL A 109 2.518 9.569 3.953 1.00 0.00 O ATOM 1618 CB VAL A 109 -0.072 10.833 2.901 1.00 0.00 C ATOM 1619 CG1 VAL A 109 0.324 12.094 3.652 1.00 0.00 C ATOM 1620 CG2 VAL A 109 -1.249 11.097 1.972 1.00 0.00 C ATOM 0 H VAL A 109 -0.284 9.558 0.751 1.00 0.00 H new ATOM 0 HA VAL A 109 1.852 11.033 1.916 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.391 10.089 3.631 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.541 12.486 4.187 1.00 0.00 H new ATOM 0 HG12 VAL A 109 1.115 11.860 4.364 1.00 0.00 H new ATOM 0 HG13 VAL A 109 0.682 12.842 2.944 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -2.081 11.506 2.546 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.953 11.811 1.203 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.557 10.164 1.501 1.00 0.00 H new ATOM 1630 N ALA A 110 1.515 7.943 2.786 1.00 0.00 N ATOM 1631 CA ALA A 110 2.108 6.885 3.600 1.00 0.00 C ATOM 1632 C ALA A 110 3.601 6.777 3.337 1.00 0.00 C ATOM 1633 O ALA A 110 4.368 6.358 4.203 1.00 0.00 O ATOM 1634 CB ALA A 110 1.419 5.557 3.335 1.00 0.00 C ATOM 0 H ALA A 110 0.905 7.616 2.036 1.00 0.00 H new ATOM 0 HA ALA A 110 1.965 7.141 4.650 1.00 0.00 H new ATOM 0 HB1 ALA A 110 1.875 4.781 3.951 1.00 0.00 H new ATOM 0 HB2 ALA A 110 0.361 5.641 3.582 1.00 0.00 H new ATOM 0 HB3 ALA A 110 1.527 5.295 2.282 1.00 0.00 H new ATOM 1640 N TRP A 111 4.007 7.184 2.143 1.00 0.00 N ATOM 1641 CA TRP A 111 5.413 7.158 1.780 1.00 0.00 C ATOM 1642 C TRP A 111 6.090 8.428 2.282 1.00 0.00 C ATOM 1643 O TRP A 111 7.243 8.398 2.710 1.00 0.00 O ATOM 1644 CB TRP A 111 5.593 7.000 0.266 1.00 0.00 C ATOM 1645 CG TRP A 111 7.030 6.969 -0.165 1.00 0.00 C ATOM 1646 CD1 TRP A 111 7.777 5.861 -0.444 1.00 0.00 C ATOM 1647 CD2 TRP A 111 7.894 8.096 -0.369 1.00 0.00 C ATOM 1648 NE1 TRP A 111 9.050 6.227 -0.807 1.00 0.00 N ATOM 1649 CE2 TRP A 111 9.147 7.594 -0.769 1.00 0.00 C ATOM 1650 CE3 TRP A 111 7.731 9.479 -0.253 1.00 0.00 C ATOM 1651 CZ2 TRP A 111 10.228 8.426 -1.052 1.00 0.00 C ATOM 1652 CZ3 TRP A 111 8.804 10.304 -0.535 1.00 0.00 C ATOM 1653 CH2 TRP A 111 10.038 9.775 -0.930 1.00 0.00 C ATOM 0 H TRP A 111 3.385 7.534 1.414 1.00 0.00 H new ATOM 0 HA TRP A 111 5.882 6.295 2.251 1.00 0.00 H new ATOM 0 HB2 TRP A 111 5.105 6.080 -0.056 1.00 0.00 H new ATOM 0 HB3 TRP A 111 5.088 7.823 -0.240 1.00 0.00 H new ATOM 0 HD1 TRP A 111 7.419 4.844 -0.387 1.00 0.00 H new ATOM 0 HE1 TRP A 111 9.801 5.586 -1.063 1.00 0.00 H new ATOM 0 HE3 TRP A 111 6.783 9.896 0.052 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 11.181 8.020 -1.357 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 8.688 11.374 -0.449 1.00 0.00 H new ATOM 0 HH2 TRP A 111 10.857 10.446 -1.143 1.00 0.00 H new ATOM 1664 N ARG A 112 5.359 9.541 2.249 1.00 0.00 N ATOM 1665 CA ARG A 112 5.881 10.817 2.727 1.00 0.00 C ATOM 1666 C ARG A 112 5.514 11.037 4.190 1.00 0.00 C ATOM 1667 O ARG A 112 5.067 12.119 4.574 1.00 0.00 O ATOM 1668 CB ARG A 112 5.319 11.955 1.891 1.00 0.00 C ATOM 1669 CG ARG A 112 6.269 12.453 0.813 1.00 0.00 C ATOM 1670 CD ARG A 112 5.759 13.733 0.171 1.00 0.00 C ATOM 1671 NE ARG A 112 6.529 14.901 0.592 1.00 0.00 N ATOM 1672 CZ ARG A 112 6.055 16.143 0.571 1.00 0.00 C ATOM 1673 NH1 ARG A 112 4.820 16.380 0.153 1.00 0.00 N ATOM 1674 NH2 ARG A 112 6.818 17.152 0.971 1.00 0.00 N ATOM 0 H ARG A 112 4.403 9.583 1.896 1.00 0.00 H new ATOM 0 HA ARG A 112 6.967 10.796 2.635 1.00 0.00 H new ATOM 0 HB2 ARG A 112 4.392 11.625 1.421 1.00 0.00 H new ATOM 0 HB3 ARG A 112 5.064 12.785 2.549 1.00 0.00 H new ATOM 0 HG2 ARG A 112 7.253 12.629 1.247 1.00 0.00 H new ATOM 0 HG3 ARG A 112 6.390 11.685 0.049 1.00 0.00 H new ATOM 0 HD2 ARG A 112 5.807 13.639 -0.914 1.00 0.00 H new ATOM 0 HD3 ARG A 112 4.711 13.877 0.432 1.00 0.00 H new ATOM 0 HE ARG A 112 7.484 14.755 0.920 1.00 0.00 H new ATOM 0 HH11 ARG A 112 4.229 15.608 -0.154 1.00 0.00 H new ATOM 0 HH12 ARG A 112 4.461 17.335 0.139 1.00 0.00 H new ATOM 0 HH21 ARG A 112 7.769 16.975 1.295 1.00 0.00 H new ATOM 0 HH22 ARG A 112 6.454 18.105 0.955 1.00 0.00 H new ATOM 1688 N ASN A 113 5.708 10.013 5.002 1.00 0.00 N ATOM 1689 CA ASN A 113 5.401 10.102 6.425 1.00 0.00 C ATOM 1690 C ASN A 113 6.196 9.085 7.228 1.00 0.00 C ATOM 1691 O ASN A 113 6.976 9.444 8.111 1.00 0.00 O ATOM 1692 CB ASN A 113 3.904 9.894 6.658 1.00 0.00 C ATOM 1693 CG ASN A 113 3.377 10.723 7.813 1.00 0.00 C ATOM 1694 OD1 ASN A 113 2.574 11.636 7.622 1.00 0.00 O ATOM 1695 ND2 ASN A 113 3.828 10.407 9.022 1.00 0.00 N ATOM 0 H ASN A 113 6.076 9.110 4.704 1.00 0.00 H new ATOM 0 HA ASN A 113 5.683 11.098 6.765 1.00 0.00 H new ATOM 0 HB2 ASN A 113 3.359 10.153 5.750 1.00 0.00 H new ATOM 0 HB3 ASN A 113 3.713 8.839 6.855 1.00 0.00 H new ATOM 0 HD21 ASN A 113 3.509 10.929 9.838 1.00 0.00 H new ATOM 0 HD22 ASN A 113 4.493 9.642 9.134 1.00 0.00 H new ATOM 1702 N ARG A 114 5.984 7.813 6.924 1.00 0.00 N ATOM 1703 CA ARG A 114 6.670 6.736 7.622 1.00 0.00 C ATOM 1704 C ARG A 114 7.802 6.158 6.782 1.00 0.00 C ATOM 1705 O ARG A 114 8.531 5.274 7.235 1.00 0.00 O ATOM 1706 CB ARG A 114 5.675 5.633 7.976 1.00 0.00 C ATOM 1707 CG ARG A 114 5.031 5.807 9.342 1.00 0.00 C ATOM 1708 CD ARG A 114 5.898 5.223 10.445 1.00 0.00 C ATOM 1709 NE ARG A 114 5.139 4.988 11.671 1.00 0.00 N ATOM 1710 CZ ARG A 114 5.522 5.417 12.869 1.00 0.00 C ATOM 1711 NH1 ARG A 114 6.652 6.102 13.003 1.00 0.00 N ATOM 1712 NH2 ARG A 114 4.777 5.164 13.936 1.00 0.00 N ATOM 0 H ARG A 114 5.341 7.501 6.197 1.00 0.00 H new ATOM 0 HA ARG A 114 7.103 7.148 8.533 1.00 0.00 H new ATOM 0 HB2 ARG A 114 4.894 5.603 7.217 1.00 0.00 H new ATOM 0 HB3 ARG A 114 6.186 4.671 7.945 1.00 0.00 H new ATOM 0 HG2 ARG A 114 4.862 6.867 9.533 1.00 0.00 H new ATOM 0 HG3 ARG A 114 4.055 5.322 9.350 1.00 0.00 H new ATOM 0 HD2 ARG A 114 6.335 4.285 10.104 1.00 0.00 H new ATOM 0 HD3 ARG A 114 6.724 5.902 10.655 1.00 0.00 H new ATOM 0 HE ARG A 114 4.266 4.465 11.604 1.00 0.00 H new ATOM 0 HH11 ARG A 114 7.228 6.300 12.185 1.00 0.00 H new ATOM 0 HH12 ARG A 114 6.943 6.430 13.924 1.00 0.00 H new ATOM 0 HH21 ARG A 114 3.908 4.639 13.838 1.00 0.00 H new ATOM 0 HH22 ARG A 114 5.073 5.494 14.855 1.00 0.00 H new ATOM 1726 N CYS A 115 7.939 6.645 5.556 1.00 0.00 N ATOM 1727 CA CYS A 115 8.979 6.154 4.660 1.00 0.00 C ATOM 1728 C CYS A 115 10.038 7.213 4.380 1.00 0.00 C ATOM 1729 O CYS A 115 11.234 6.924 4.414 1.00 0.00 O ATOM 1730 CB CYS A 115 8.365 5.685 3.345 1.00 0.00 C ATOM 1731 SG CYS A 115 9.542 4.835 2.252 1.00 0.00 S ATOM 0 H CYS A 115 7.347 7.375 5.160 1.00 0.00 H new ATOM 0 HA CYS A 115 9.466 5.316 5.159 1.00 0.00 H new ATOM 0 HB2 CYS A 115 7.534 5.014 3.561 1.00 0.00 H new ATOM 0 HB3 CYS A 115 7.951 6.546 2.820 1.00 0.00 H new ATOM 1736 N LYS A 116 9.598 8.433 4.089 1.00 0.00 N ATOM 1737 CA LYS A 116 10.515 9.526 3.787 1.00 0.00 C ATOM 1738 C LYS A 116 11.553 9.701 4.891 1.00 0.00 C ATOM 1739 O LYS A 116 11.297 10.361 5.898 1.00 0.00 O ATOM 1740 CB LYS A 116 9.739 10.829 3.591 1.00 0.00 C ATOM 1741 CG LYS A 116 10.517 11.891 2.831 1.00 0.00 C ATOM 1742 CD LYS A 116 9.780 13.221 2.822 1.00 0.00 C ATOM 1743 CE LYS A 116 10.084 14.018 1.563 1.00 0.00 C ATOM 1744 NZ LYS A 116 11.173 15.009 1.784 1.00 0.00 N ATOM 0 H LYS A 116 8.611 8.690 4.056 1.00 0.00 H new ATOM 0 HA LYS A 116 11.039 9.276 2.864 1.00 0.00 H new ATOM 0 HB2 LYS A 116 8.814 10.615 3.055 1.00 0.00 H new ATOM 0 HB3 LYS A 116 9.458 11.225 4.567 1.00 0.00 H new ATOM 0 HG2 LYS A 116 11.499 12.021 3.287 1.00 0.00 H new ATOM 0 HG3 LYS A 116 10.683 11.559 1.806 1.00 0.00 H new ATOM 0 HD2 LYS A 116 8.707 13.044 2.892 1.00 0.00 H new ATOM 0 HD3 LYS A 116 10.065 13.802 3.699 1.00 0.00 H new ATOM 0 HE2 LYS A 116 10.370 13.336 0.762 1.00 0.00 H new ATOM 0 HE3 LYS A 116 9.183 14.536 1.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 11.351 15.532 0.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 10.890 15.675 2.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 12.040 14.513 2.073 1.00 0.00 H new ATOM 1758 N GLY A 117 12.727 9.110 4.693 1.00 0.00 N ATOM 1759 CA GLY A 117 13.787 9.222 5.677 1.00 0.00 C ATOM 1760 C GLY A 117 14.312 7.877 6.142 1.00 0.00 C ATOM 1761 O GLY A 117 15.073 7.808 7.106 1.00 0.00 O ATOM 0 H GLY A 117 12.963 8.556 3.870 1.00 0.00 H new ATOM 0 HA2 GLY A 117 14.609 9.799 5.253 1.00 0.00 H new ATOM 0 HA3 GLY A 117 13.418 9.779 6.538 1.00 0.00 H new ATOM 1765 N THR A 118 13.914 6.803 5.462 1.00 0.00 N ATOM 1766 CA THR A 118 14.362 5.463 5.825 1.00 0.00 C ATOM 1767 C THR A 118 15.197 4.845 4.704 1.00 0.00 C ATOM 1768 O THR A 118 15.870 5.557 3.959 1.00 0.00 O ATOM 1769 CB THR A 118 13.168 4.541 6.140 1.00 0.00 C ATOM 1770 OG1 THR A 118 12.342 4.395 4.979 1.00 0.00 O ATOM 1771 CG2 THR A 118 12.342 5.100 7.289 1.00 0.00 C ATOM 0 H THR A 118 13.285 6.836 4.660 1.00 0.00 H new ATOM 0 HA THR A 118 14.978 5.560 6.719 1.00 0.00 H new ATOM 0 HB THR A 118 13.557 3.566 6.433 1.00 0.00 H new ATOM 0 HG1 THR A 118 11.951 5.262 4.745 1.00 0.00 H new ATOM 0 HG21 THR A 118 11.505 4.433 7.494 1.00 0.00 H new ATOM 0 HG22 THR A 118 12.966 5.183 8.179 1.00 0.00 H new ATOM 0 HG23 THR A 118 11.963 6.085 7.019 1.00 0.00 H new ATOM 1779 N ASP A 119 15.152 3.518 4.588 1.00 0.00 N ATOM 1780 CA ASP A 119 15.910 2.819 3.556 1.00 0.00 C ATOM 1781 C ASP A 119 15.066 1.767 2.848 1.00 0.00 C ATOM 1782 O ASP A 119 14.816 0.687 3.385 1.00 0.00 O ATOM 1783 CB ASP A 119 17.139 2.178 4.151 1.00 0.00 C ATOM 1784 CG ASP A 119 18.287 2.091 3.164 1.00 0.00 C ATOM 1785 OD1 ASP A 119 18.108 1.462 2.100 1.00 0.00 O ATOM 1786 OD2 ASP A 119 19.364 2.650 3.455 1.00 0.00 O ATOM 0 H ASP A 119 14.601 2.910 5.194 1.00 0.00 H new ATOM 0 HA ASP A 119 16.211 3.559 2.815 1.00 0.00 H new ATOM 0 HB2 ASP A 119 17.457 2.750 5.023 1.00 0.00 H new ATOM 0 HB3 ASP A 119 16.889 1.176 4.501 1.00 0.00 H new ATOM 1791 N VAL A 120 14.634 2.090 1.634 1.00 0.00 N ATOM 1792 CA VAL A 120 13.822 1.186 0.833 1.00 0.00 C ATOM 1793 C VAL A 120 14.677 0.064 0.258 1.00 0.00 C ATOM 1794 O VAL A 120 14.212 -1.064 0.100 1.00 0.00 O ATOM 1795 CB VAL A 120 13.121 1.930 -0.319 1.00 0.00 C ATOM 1796 CG1 VAL A 120 12.162 2.976 0.226 1.00 0.00 C ATOM 1797 CG2 VAL A 120 14.143 2.570 -1.246 1.00 0.00 C ATOM 0 H VAL A 120 14.836 2.981 1.181 1.00 0.00 H new ATOM 0 HA VAL A 120 13.062 0.765 1.491 1.00 0.00 H new ATOM 0 HB VAL A 120 12.546 1.205 -0.895 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.676 3.491 -0.603 1.00 0.00 H new ATOM 0 HG12 VAL A 120 11.407 2.490 0.844 1.00 0.00 H new ATOM 0 HG13 VAL A 120 12.714 3.698 0.828 1.00 0.00 H new ATOM 0 HG21 VAL A 120 13.627 3.090 -2.053 1.00 0.00 H new ATOM 0 HG22 VAL A 120 14.749 3.281 -0.684 1.00 0.00 H new ATOM 0 HG23 VAL A 120 14.787 1.798 -1.666 1.00 0.00 H new ATOM 1807 N GLN A 121 15.934 0.380 -0.040 1.00 0.00 N ATOM 1808 CA GLN A 121 16.857 -0.608 -0.580 1.00 0.00 C ATOM 1809 C GLN A 121 16.993 -1.763 0.401 1.00 0.00 C ATOM 1810 O GLN A 121 17.322 -2.887 0.019 1.00 0.00 O ATOM 1811 CB GLN A 121 18.225 0.024 -0.845 1.00 0.00 C ATOM 1812 CG GLN A 121 18.530 0.215 -2.322 1.00 0.00 C ATOM 1813 CD GLN A 121 19.378 -0.905 -2.891 1.00 0.00 C ATOM 1814 OE1 GLN A 121 19.076 -2.083 -2.706 1.00 0.00 O ATOM 1815 NE2 GLN A 121 20.448 -0.540 -3.589 1.00 0.00 N ATOM 0 H GLN A 121 16.334 1.310 0.084 1.00 0.00 H new ATOM 0 HA GLN A 121 16.465 -0.981 -1.526 1.00 0.00 H new ATOM 0 HB2 GLN A 121 18.272 0.991 -0.345 1.00 0.00 H new ATOM 0 HB3 GLN A 121 18.998 -0.603 -0.401 1.00 0.00 H new ATOM 0 HG2 GLN A 121 17.594 0.276 -2.878 1.00 0.00 H new ATOM 0 HG3 GLN A 121 19.046 1.164 -2.463 1.00 0.00 H new ATOM 0 HE21 GLN A 121 20.660 0.449 -3.717 1.00 0.00 H new ATOM 0 HE22 GLN A 121 21.057 -1.249 -3.997 1.00 0.00 H new ATOM 1824 N ALA A 122 16.720 -1.471 1.668 1.00 0.00 N ATOM 1825 CA ALA A 122 16.789 -2.471 2.720 1.00 0.00 C ATOM 1826 C ALA A 122 15.441 -3.162 2.888 1.00 0.00 C ATOM 1827 O ALA A 122 15.364 -4.273 3.412 1.00 0.00 O ATOM 1828 CB ALA A 122 17.227 -1.834 4.030 1.00 0.00 C ATOM 0 H ALA A 122 16.447 -0.542 1.990 1.00 0.00 H new ATOM 0 HA ALA A 122 17.528 -3.221 2.436 1.00 0.00 H new ATOM 0 HB1 ALA A 122 17.274 -2.596 4.808 1.00 0.00 H new ATOM 0 HB2 ALA A 122 18.211 -1.383 3.904 1.00 0.00 H new ATOM 0 HB3 ALA A 122 16.510 -1.065 4.318 1.00 0.00 H new ATOM 1834 N TRP A 123 14.377 -2.497 2.435 1.00 0.00 N ATOM 1835 CA TRP A 123 13.033 -3.060 2.533 1.00 0.00 C ATOM 1836 C TRP A 123 12.921 -4.350 1.724 1.00 0.00 C ATOM 1837 O TRP A 123 12.012 -5.152 1.941 1.00 0.00 O ATOM 1838 CB TRP A 123 11.988 -2.052 2.048 1.00 0.00 C ATOM 1839 CG TRP A 123 11.458 -1.166 3.136 1.00 0.00 C ATOM 1840 CD1 TRP A 123 11.288 0.185 3.077 1.00 0.00 C ATOM 1841 CD2 TRP A 123 11.027 -1.567 4.444 1.00 0.00 C ATOM 1842 NE1 TRP A 123 10.781 0.647 4.267 1.00 0.00 N ATOM 1843 CE2 TRP A 123 10.614 -0.414 5.118 1.00 0.00 C ATOM 1844 CE3 TRP A 123 10.949 -2.788 5.111 1.00 0.00 C ATOM 1845 CZ2 TRP A 123 10.134 -0.454 6.420 1.00 0.00 C ATOM 1846 CZ3 TRP A 123 10.472 -2.825 6.402 1.00 0.00 C ATOM 1847 CH2 TRP A 123 10.069 -1.661 7.046 1.00 0.00 C ATOM 0 H TRP A 123 14.420 -1.575 2.000 1.00 0.00 H new ATOM 0 HA TRP A 123 12.844 -3.289 3.582 1.00 0.00 H new ATOM 0 HB2 TRP A 123 12.429 -1.431 1.268 1.00 0.00 H new ATOM 0 HB3 TRP A 123 11.157 -2.592 1.594 1.00 0.00 H new ATOM 0 HD1 TRP A 123 11.518 0.802 2.221 1.00 0.00 H new ATOM 0 HE1 TRP A 123 10.564 1.620 4.482 1.00 0.00 H new ATOM 0 HE3 TRP A 123 11.260 -3.698 4.619 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 9.820 0.449 6.923 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 10.410 -3.770 6.921 1.00 0.00 H new ATOM 0 HH2 TRP A 123 9.698 -1.715 8.059 1.00 0.00 H new ATOM 1858 N ILE A 124 13.854 -4.545 0.798 1.00 0.00 N ATOM 1859 CA ILE A 124 13.866 -5.739 -0.039 1.00 0.00 C ATOM 1860 C ILE A 124 15.202 -6.465 0.071 1.00 0.00 C ATOM 1861 O ILE A 124 15.501 -7.365 -0.713 1.00 0.00 O ATOM 1862 CB ILE A 124 13.597 -5.400 -1.517 1.00 0.00 C ATOM 1863 CG1 ILE A 124 14.449 -4.207 -1.956 1.00 0.00 C ATOM 1864 CG2 ILE A 124 12.119 -5.114 -1.735 1.00 0.00 C ATOM 1865 CD1 ILE A 124 15.376 -4.519 -3.110 1.00 0.00 C ATOM 0 H ILE A 124 14.613 -3.890 0.608 1.00 0.00 H new ATOM 0 HA ILE A 124 13.067 -6.387 0.322 1.00 0.00 H new ATOM 0 HB ILE A 124 13.874 -6.260 -2.126 1.00 0.00 H new ATOM 0 HG12 ILE A 124 13.791 -3.386 -2.241 1.00 0.00 H new ATOM 0 HG13 ILE A 124 15.041 -3.862 -1.108 1.00 0.00 H new ATOM 0 HG21 ILE A 124 11.945 -4.876 -2.784 1.00 0.00 H new ATOM 0 HG22 ILE A 124 11.534 -5.992 -1.460 1.00 0.00 H new ATOM 0 HG23 ILE A 124 11.817 -4.269 -1.117 1.00 0.00 H new ATOM 0 HD11 ILE A 124 15.949 -3.628 -3.368 1.00 0.00 H new ATOM 0 HD12 ILE A 124 16.059 -5.319 -2.822 1.00 0.00 H new ATOM 0 HD13 ILE A 124 14.789 -4.835 -3.973 1.00 0.00 H new ATOM 1877 N ARG A 125 16.003 -6.059 1.053 1.00 0.00 N ATOM 1878 CA ARG A 125 17.311 -6.662 1.276 1.00 0.00 C ATOM 1879 C ARG A 125 17.173 -8.120 1.706 1.00 0.00 C ATOM 1880 O ARG A 125 17.075 -8.420 2.897 1.00 0.00 O ATOM 1881 CB ARG A 125 18.084 -5.876 2.338 1.00 0.00 C ATOM 1882 CG ARG A 125 19.343 -5.213 1.806 1.00 0.00 C ATOM 1883 CD ARG A 125 20.532 -6.159 1.847 1.00 0.00 C ATOM 1884 NE ARG A 125 21.696 -5.606 1.160 1.00 0.00 N ATOM 1885 CZ ARG A 125 21.981 -5.844 -0.117 1.00 0.00 C ATOM 1886 NH1 ARG A 125 21.190 -6.623 -0.843 1.00 0.00 N ATOM 1887 NH2 ARG A 125 23.058 -5.303 -0.669 1.00 0.00 N ATOM 0 H ARG A 125 15.767 -5.313 1.707 1.00 0.00 H new ATOM 0 HA ARG A 125 17.863 -6.630 0.336 1.00 0.00 H new ATOM 0 HB2 ARG A 125 17.431 -5.112 2.760 1.00 0.00 H new ATOM 0 HB3 ARG A 125 18.354 -6.549 3.152 1.00 0.00 H new ATOM 0 HG2 ARG A 125 19.176 -4.882 0.781 1.00 0.00 H new ATOM 0 HG3 ARG A 125 19.564 -4.324 2.396 1.00 0.00 H new ATOM 0 HD2 ARG A 125 20.791 -6.371 2.884 1.00 0.00 H new ATOM 0 HD3 ARG A 125 20.256 -7.108 1.387 1.00 0.00 H new ATOM 0 HE ARG A 125 22.326 -5.003 1.689 1.00 0.00 H new ATOM 0 HH11 ARG A 125 20.360 -7.041 -0.422 1.00 0.00 H new ATOM 0 HH12 ARG A 125 21.411 -6.804 -1.822 1.00 0.00 H new ATOM 0 HH21 ARG A 125 23.669 -4.704 -0.114 1.00 0.00 H new ATOM 0 HH22 ARG A 125 23.276 -5.486 -1.649 1.00 0.00 H new ATOM 1901 N GLY A 126 17.167 -9.022 0.729 1.00 0.00 N ATOM 1902 CA GLY A 126 17.041 -10.438 1.026 1.00 0.00 C ATOM 1903 C GLY A 126 15.906 -11.095 0.265 1.00 0.00 C ATOM 1904 O GLY A 126 15.720 -12.309 0.341 1.00 0.00 O ATOM 0 H GLY A 126 17.247 -8.798 -0.263 1.00 0.00 H new ATOM 0 HA2 GLY A 126 17.976 -10.941 0.782 1.00 0.00 H new ATOM 0 HA3 GLY A 126 16.879 -10.568 2.096 1.00 0.00 H new ATOM 1908 N CYS A 127 15.143 -10.290 -0.470 1.00 0.00 N ATOM 1909 CA CYS A 127 14.020 -10.795 -1.247 1.00 0.00 C ATOM 1910 C CYS A 127 14.484 -11.724 -2.362 1.00 0.00 C ATOM 1911 O CYS A 127 15.667 -12.052 -2.461 1.00 0.00 O ATOM 1912 CB CYS A 127 13.226 -9.641 -1.823 1.00 0.00 C ATOM 1913 SG CYS A 127 11.868 -9.062 -0.756 1.00 0.00 S ATOM 0 H CYS A 127 15.285 -9.282 -0.542 1.00 0.00 H new ATOM 0 HA CYS A 127 13.382 -11.372 -0.578 1.00 0.00 H new ATOM 0 HB2 CYS A 127 13.903 -8.808 -2.014 1.00 0.00 H new ATOM 0 HB3 CYS A 127 12.813 -9.943 -2.785 1.00 0.00 H new ATOM 1918 N ARG A 128 13.544 -12.145 -3.202 1.00 0.00 N ATOM 1919 CA ARG A 128 13.853 -13.036 -4.314 1.00 0.00 C ATOM 1920 C ARG A 128 13.013 -12.691 -5.539 1.00 0.00 C ATOM 1921 O ARG A 128 11.894 -13.181 -5.695 1.00 0.00 O ATOM 1922 CB ARG A 128 13.614 -14.492 -3.909 1.00 0.00 C ATOM 1923 CG ARG A 128 14.063 -15.498 -4.956 1.00 0.00 C ATOM 1924 CD ARG A 128 15.559 -15.754 -4.880 1.00 0.00 C ATOM 1925 NE ARG A 128 16.000 -16.725 -5.877 1.00 0.00 N ATOM 1926 CZ ARG A 128 16.150 -16.442 -7.167 1.00 0.00 C ATOM 1927 NH1 ARG A 128 15.896 -15.220 -7.615 1.00 0.00 N ATOM 1928 NH2 ARG A 128 16.556 -17.381 -8.010 1.00 0.00 N ATOM 0 H ARG A 128 12.561 -11.883 -3.133 1.00 0.00 H new ATOM 0 HA ARG A 128 14.904 -12.905 -4.570 1.00 0.00 H new ATOM 0 HB2 ARG A 128 14.141 -14.692 -2.976 1.00 0.00 H new ATOM 0 HB3 ARG A 128 12.552 -14.636 -3.712 1.00 0.00 H new ATOM 0 HG2 ARG A 128 13.525 -16.436 -4.815 1.00 0.00 H new ATOM 0 HG3 ARG A 128 13.806 -15.130 -5.949 1.00 0.00 H new ATOM 0 HD2 ARG A 128 16.095 -14.816 -5.026 1.00 0.00 H new ATOM 0 HD3 ARG A 128 15.815 -16.116 -3.884 1.00 0.00 H new ATOM 0 HE ARG A 128 16.205 -17.675 -5.566 1.00 0.00 H new ATOM 0 HH11 ARG A 128 15.585 -14.494 -6.969 1.00 0.00 H new ATOM 0 HH12 ARG A 128 16.012 -15.006 -8.605 1.00 0.00 H new ATOM 0 HH21 ARG A 128 16.754 -18.322 -7.669 1.00 0.00 H new ATOM 0 HH22 ARG A 128 16.671 -17.163 -9.000 1.00 0.00 H new ATOM 1942 N LEU A 129 13.560 -11.844 -6.405 1.00 0.00 N ATOM 1943 CA LEU A 129 12.861 -11.432 -7.617 1.00 0.00 C ATOM 1944 C LEU A 129 13.826 -11.333 -8.795 1.00 0.00 C ATOM 1945 O LEU A 129 15.048 -11.456 -8.569 1.00 0.00 O ATOM 1946 CB LEU A 129 12.167 -10.087 -7.398 1.00 0.00 C ATOM 1947 CG LEU A 129 13.063 -8.977 -6.848 1.00 0.00 C ATOM 1948 CD1 LEU A 129 13.053 -7.774 -7.778 1.00 0.00 C ATOM 1949 CD2 LEU A 129 12.616 -8.575 -5.450 1.00 0.00 C ATOM 1950 OXT LEU A 129 13.351 -11.134 -9.932 1.00 0.00 O ATOM 0 H LEU A 129 14.485 -11.430 -6.290 1.00 0.00 H new ATOM 0 HA LEU A 129 12.110 -12.188 -7.848 1.00 0.00 H new ATOM 0 HB2 LEU A 129 11.744 -9.755 -8.346 1.00 0.00 H new ATOM 0 HB3 LEU A 129 11.333 -10.233 -6.711 1.00 0.00 H new ATOM 0 HG LEU A 129 14.083 -9.356 -6.787 1.00 0.00 H new ATOM 0 HD11 LEU A 129 13.696 -6.994 -7.371 1.00 0.00 H new ATOM 0 HD12 LEU A 129 13.420 -8.071 -8.761 1.00 0.00 H new ATOM 0 HD13 LEU A 129 12.036 -7.394 -7.870 1.00 0.00 H new ATOM 0 HD21 LEU A 129 13.265 -7.784 -5.074 1.00 0.00 H new ATOM 0 HD22 LEU A 129 11.588 -8.215 -5.486 1.00 0.00 H new ATOM 0 HD23 LEU A 129 12.675 -9.438 -4.787 1.00 0.00 H new TER 1962 LEU A 129