USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=26 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 15 HIS : no HD1:sc= -1.49 K(o=-1.5,f=-2.1!) USER MOD Set 1.2: A 89 THR OG1 : rot 180:sc= 0.00508 USER MOD Set 2.1: A 74 ASN : amide:sc= -1.35 K(o=-1.4,f=-4.7!) USER MOD Set 2.2: A 77 ASN :FLIP amide:sc= -0.0368 F(o=-6.1,f=-1.4) USER MOD Set 3.1: A 69 THR OG1 : rot 114:sc= 0.127 USER MOD Set 3.2: A 72 SER OG : rot -118:sc= 0.46 USER MOD Set 4.1: A 24 SER OG : rot -45:sc= 1.22 USER MOD Set 4.2: A 27 ASN : amide:sc= -1.55! C(o=-0.33!,f=-9.4!) USER MOD Single : A 1 LYS N :NH3+ 179:sc= -3.82! (180deg=-3.88!) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl -128:sc= -10.9! (180deg=-13.6!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.046 X(o=-0.046,f=0) 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 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 52:sc= -3.32! USER MOD Single : A 37 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 39 ASN : amide:sc= -3.13! C(o=-3.1!,f=-3.8!) USER MOD Single : A 40 THR OG1 : rot 150:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.521 X(o=-0.52,f=-0.76) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc= 0.0801 K(o=0.08,f=-2.3!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 41:sc= 0.0284 USER MOD Single : A 51 THR OG1 : rot 170:sc= -0.63 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -3.09! C(o=-3.1!,f=-3.1!) USER MOD Single : A 59 ASN : amide:sc= -4.18! C(o=-4.2!,f=-7.4!) USER MOD Single : A 60 SER OG : rot -98:sc= 1.09 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) 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 -130:sc= -0.593 USER MOD Single : A 91 SER OG : rot -160:sc= -1.98! USER MOD Single : A 93 ASN :FLIP amide:sc= -0.253 F(o=-2.5,f=-0.25) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 168:sc= -0.0319 (180deg=-0.202) USER MOD Single : A 100 SER OG : rot 180:sc= -0.144 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 MET CE :methyl -161:sc= -0.788 (180deg=-2.28) USER MOD Single : A 106 ASN : amide:sc= -0.42 X(o=-0.42,f=-0.52) USER MOD Single : A 113 ASN : amide:sc= -0.273 X(o=-0.27,f=-0.097) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot -60:sc= 0.647 USER MOD Single : A 121 GLN : amide:sc= -0.05 X(o=-0.05,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -7.019 -9.603 -0.197 1.00 0.00 N ATOM 2 CA LYS A 1 -5.881 -10.154 0.583 1.00 0.00 C ATOM 3 C LYS A 1 -4.722 -9.163 0.642 1.00 0.00 C ATOM 4 O LYS A 1 -4.695 -8.178 -0.096 1.00 0.00 O ATOM 5 CB LYS A 1 -5.428 -11.459 -0.072 1.00 0.00 C ATOM 6 CG LYS A 1 -6.418 -12.599 0.093 1.00 0.00 C ATOM 7 CD LYS A 1 -7.353 -12.702 -1.101 1.00 0.00 C ATOM 8 CE LYS A 1 -6.988 -13.876 -1.995 1.00 0.00 C ATOM 9 NZ LYS A 1 -8.190 -14.492 -2.621 1.00 0.00 N ATOM 0 H1 LYS A 1 -7.786 -10.304 -0.235 1.00 0.00 H new ATOM 0 H2 LYS A 1 -7.366 -8.736 0.260 1.00 0.00 H new ATOM 0 H3 LYS A 1 -6.703 -9.383 -1.163 1.00 0.00 H new ATOM 0 HA LYS A 1 -6.205 -10.341 1.607 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -5.263 -11.284 -1.135 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -4.470 -11.756 0.355 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -5.877 -13.537 0.215 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -7.001 -12.447 1.001 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -8.379 -12.815 -0.752 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -7.312 -11.778 -1.677 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -6.305 -13.540 -2.775 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -6.458 -14.627 -1.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -7.898 -15.289 -3.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -8.831 -14.836 -1.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -8.682 -13.782 -3.201 1.00 0.00 H new ATOM 25 N VAL A 2 -3.766 -9.435 1.523 1.00 0.00 N ATOM 26 CA VAL A 2 -2.601 -8.573 1.682 1.00 0.00 C ATOM 27 C VAL A 2 -1.340 -9.257 1.161 1.00 0.00 C ATOM 28 O VAL A 2 -1.049 -10.395 1.531 1.00 0.00 O ATOM 29 CB VAL A 2 -2.385 -8.184 3.161 1.00 0.00 C ATOM 30 CG1 VAL A 2 -1.084 -7.421 3.337 1.00 0.00 C ATOM 31 CG2 VAL A 2 -3.551 -7.357 3.674 1.00 0.00 C ATOM 0 H VAL A 2 -3.775 -10.248 2.139 1.00 0.00 H new ATOM 0 HA VAL A 2 -2.792 -7.671 1.101 1.00 0.00 H new ATOM 0 HB VAL A 2 -2.326 -9.103 3.744 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -0.955 -7.159 4.387 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -0.250 -8.044 3.014 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.111 -6.512 2.737 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -3.379 -7.094 4.718 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.641 -6.447 3.080 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.471 -7.936 3.593 1.00 0.00 H new ATOM 41 N PHE A 3 -0.581 -8.559 0.316 1.00 0.00 N ATOM 42 CA PHE A 3 0.656 -9.114 -0.223 1.00 0.00 C ATOM 43 C PHE A 3 1.768 -9.038 0.815 1.00 0.00 C ATOM 44 O PHE A 3 1.560 -8.564 1.931 1.00 0.00 O ATOM 45 CB PHE A 3 1.102 -8.350 -1.473 1.00 0.00 C ATOM 46 CG PHE A 3 0.135 -8.394 -2.622 1.00 0.00 C ATOM 47 CD1 PHE A 3 -0.969 -9.232 -2.606 1.00 0.00 C ATOM 48 CD2 PHE A 3 0.340 -7.586 -3.727 1.00 0.00 C ATOM 49 CE1 PHE A 3 -1.847 -9.261 -3.670 1.00 0.00 C ATOM 50 CE2 PHE A 3 -0.533 -7.610 -4.793 1.00 0.00 C ATOM 51 CZ PHE A 3 -1.629 -8.450 -4.766 1.00 0.00 C ATOM 0 H PHE A 3 -0.800 -7.616 -0.007 1.00 0.00 H new ATOM 0 HA PHE A 3 0.462 -10.154 -0.486 1.00 0.00 H new ATOM 0 HB2 PHE A 3 1.274 -7.308 -1.202 1.00 0.00 H new ATOM 0 HB3 PHE A 3 2.058 -8.755 -1.806 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -1.144 -9.869 -1.752 1.00 0.00 H new ATOM 0 HD2 PHE A 3 1.196 -6.928 -3.754 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -2.704 -9.918 -3.646 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -0.360 -6.973 -5.648 1.00 0.00 H new ATOM 0 HZ PHE A 3 -2.314 -8.472 -5.601 1.00 0.00 H new ATOM 61 N GLY A 4 2.955 -9.494 0.431 1.00 0.00 N ATOM 62 CA GLY A 4 4.092 -9.455 1.327 1.00 0.00 C ATOM 63 C GLY A 4 5.089 -8.388 0.919 1.00 0.00 C ATOM 64 O GLY A 4 4.704 -7.339 0.404 1.00 0.00 O ATOM 0 H GLY A 4 3.149 -9.891 -0.488 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.748 -9.263 2.343 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.583 -10.428 1.335 1.00 0.00 H new ATOM 68 N ARG A 5 6.371 -8.652 1.146 1.00 0.00 N ATOM 69 CA ARG A 5 7.416 -7.698 0.791 1.00 0.00 C ATOM 70 C ARG A 5 7.932 -7.940 -0.619 1.00 0.00 C ATOM 71 O ARG A 5 7.857 -7.055 -1.472 1.00 0.00 O ATOM 72 CB ARG A 5 8.569 -7.772 1.793 1.00 0.00 C ATOM 73 CG ARG A 5 8.299 -7.022 3.087 1.00 0.00 C ATOM 74 CD ARG A 5 9.217 -7.492 4.205 1.00 0.00 C ATOM 75 NE ARG A 5 8.660 -8.632 4.929 1.00 0.00 N ATOM 76 CZ ARG A 5 7.786 -8.518 5.924 1.00 0.00 C ATOM 77 NH1 ARG A 5 7.370 -7.320 6.313 1.00 0.00 N ATOM 78 NH2 ARG A 5 7.326 -9.603 6.531 1.00 0.00 N ATOM 0 H ARG A 5 6.711 -9.514 1.572 1.00 0.00 H new ATOM 0 HA ARG A 5 6.979 -6.700 0.824 1.00 0.00 H new ATOM 0 HB2 ARG A 5 8.772 -8.818 2.024 1.00 0.00 H new ATOM 0 HB3 ARG A 5 9.469 -7.368 1.329 1.00 0.00 H new ATOM 0 HG2 ARG A 5 8.438 -5.953 2.925 1.00 0.00 H new ATOM 0 HG3 ARG A 5 7.260 -7.167 3.383 1.00 0.00 H new ATOM 0 HD2 ARG A 5 10.186 -7.766 3.787 1.00 0.00 H new ATOM 0 HD3 ARG A 5 9.391 -6.671 4.900 1.00 0.00 H new ATOM 0 HE ARG A 5 8.959 -9.568 4.656 1.00 0.00 H new ATOM 0 HH11 ARG A 5 7.721 -6.483 5.848 1.00 0.00 H new ATOM 0 HH12 ARG A 5 6.699 -7.236 7.077 1.00 0.00 H new ATOM 0 HH21 ARG A 5 7.643 -10.526 6.235 1.00 0.00 H new ATOM 0 HH22 ARG A 5 6.655 -9.515 7.294 1.00 0.00 H new ATOM 92 N CYS A 6 8.459 -9.132 -0.865 1.00 0.00 N ATOM 93 CA CYS A 6 8.983 -9.455 -2.182 1.00 0.00 C ATOM 94 C CYS A 6 7.876 -9.875 -3.131 1.00 0.00 C ATOM 95 O CYS A 6 7.908 -9.529 -4.304 1.00 0.00 O ATOM 96 CB CYS A 6 10.040 -10.547 -2.102 1.00 0.00 C ATOM 97 SG CYS A 6 11.038 -10.510 -0.578 1.00 0.00 S ATOM 0 H CYS A 6 8.534 -9.882 -0.178 1.00 0.00 H new ATOM 0 HA CYS A 6 9.447 -8.549 -2.573 1.00 0.00 H new ATOM 0 HB2 CYS A 6 9.550 -11.518 -2.179 1.00 0.00 H new ATOM 0 HB3 CYS A 6 10.705 -10.457 -2.961 1.00 0.00 H new ATOM 102 N GLU A 7 6.892 -10.611 -2.624 1.00 0.00 N ATOM 103 CA GLU A 7 5.779 -11.044 -3.461 1.00 0.00 C ATOM 104 C GLU A 7 5.310 -9.873 -4.312 1.00 0.00 C ATOM 105 O GLU A 7 5.232 -9.962 -5.542 1.00 0.00 O ATOM 106 CB GLU A 7 4.629 -11.571 -2.601 1.00 0.00 C ATOM 107 CG GLU A 7 3.977 -12.825 -3.161 1.00 0.00 C ATOM 108 CD GLU A 7 3.051 -12.531 -4.325 1.00 0.00 C ATOM 109 OE1 GLU A 7 1.857 -12.255 -4.079 1.00 0.00 O ATOM 110 OE2 GLU A 7 3.519 -12.576 -5.482 1.00 0.00 O ATOM 0 H GLU A 7 6.842 -10.916 -1.652 1.00 0.00 H new ATOM 0 HA GLU A 7 6.112 -11.855 -4.109 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.003 -11.782 -1.599 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.873 -10.792 -2.502 1.00 0.00 H new ATOM 0 HG2 GLU A 7 4.752 -13.519 -3.485 1.00 0.00 H new ATOM 0 HG3 GLU A 7 3.414 -13.321 -2.370 1.00 0.00 H new ATOM 117 N LEU A 8 5.036 -8.759 -3.645 1.00 0.00 N ATOM 118 CA LEU A 8 4.612 -7.558 -4.332 1.00 0.00 C ATOM 119 C LEU A 8 5.759 -6.975 -5.150 1.00 0.00 C ATOM 120 O LEU A 8 5.533 -6.470 -6.245 1.00 0.00 O ATOM 121 CB LEU A 8 4.095 -6.504 -3.350 1.00 0.00 C ATOM 122 CG LEU A 8 3.874 -5.117 -3.962 1.00 0.00 C ATOM 123 CD1 LEU A 8 2.635 -5.111 -4.845 1.00 0.00 C ATOM 124 CD2 LEU A 8 3.762 -4.058 -2.878 1.00 0.00 C ATOM 0 H LEU A 8 5.101 -8.668 -2.631 1.00 0.00 H new ATOM 0 HA LEU A 8 3.797 -7.836 -5.000 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.154 -6.853 -2.924 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.804 -6.415 -2.527 1.00 0.00 H new ATOM 0 HG LEU A 8 4.739 -4.879 -4.581 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.496 -4.117 -5.270 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.758 -5.836 -5.650 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.762 -5.376 -4.249 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.605 -3.082 -3.338 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.920 -4.292 -2.227 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.680 -4.040 -2.291 1.00 0.00 H new ATOM 136 N ALA A 9 6.994 -7.053 -4.628 1.00 0.00 N ATOM 137 CA ALA A 9 8.145 -6.519 -5.352 1.00 0.00 C ATOM 138 C ALA A 9 8.311 -7.208 -6.697 1.00 0.00 C ATOM 139 O ALA A 9 8.366 -6.548 -7.733 1.00 0.00 O ATOM 140 CB ALA A 9 9.413 -6.643 -4.529 1.00 0.00 C ATOM 0 H ALA A 9 7.213 -7.473 -3.725 1.00 0.00 H new ATOM 0 HA ALA A 9 7.960 -5.460 -5.533 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.254 -6.238 -5.092 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.298 -6.087 -3.598 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.600 -7.693 -4.304 1.00 0.00 H new ATOM 146 N ALA A 10 8.372 -8.536 -6.683 1.00 0.00 N ATOM 147 CA ALA A 10 8.503 -9.296 -7.913 1.00 0.00 C ATOM 148 C ALA A 10 7.444 -8.833 -8.894 1.00 0.00 C ATOM 149 O ALA A 10 7.702 -8.692 -10.089 1.00 0.00 O ATOM 150 CB ALA A 10 8.365 -10.785 -7.643 1.00 0.00 C ATOM 0 H ALA A 10 8.333 -9.102 -5.836 1.00 0.00 H new ATOM 0 HA ALA A 10 9.492 -9.126 -8.338 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.466 -11.335 -8.578 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.143 -11.103 -6.949 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.386 -10.987 -7.208 1.00 0.00 H new ATOM 156 N ALA A 11 6.248 -8.576 -8.368 1.00 0.00 N ATOM 157 CA ALA A 11 5.153 -8.104 -9.194 1.00 0.00 C ATOM 158 C ALA A 11 5.475 -6.743 -9.772 1.00 0.00 C ATOM 159 O ALA A 11 5.146 -6.440 -10.916 1.00 0.00 O ATOM 160 CB ALA A 11 3.856 -8.069 -8.401 1.00 0.00 C ATOM 0 H ALA A 11 6.019 -8.687 -7.380 1.00 0.00 H new ATOM 0 HA ALA A 11 5.019 -8.801 -10.021 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.048 -7.712 -9.040 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.620 -9.072 -8.044 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.968 -7.398 -7.549 1.00 0.00 H new ATOM 166 N MET A 12 6.130 -5.939 -8.964 1.00 0.00 N ATOM 167 CA MET A 12 6.532 -4.593 -9.371 1.00 0.00 C ATOM 168 C MET A 12 7.459 -4.663 -10.574 1.00 0.00 C ATOM 169 O MET A 12 7.235 -4.001 -11.586 1.00 0.00 O ATOM 170 CB MET A 12 7.256 -3.861 -8.240 1.00 0.00 C ATOM 171 CG MET A 12 6.606 -4.018 -6.879 1.00 0.00 C ATOM 172 SD MET A 12 4.842 -3.655 -6.909 1.00 0.00 S ATOM 173 CE MET A 12 4.874 -1.929 -7.373 1.00 0.00 C ATOM 0 H MET A 12 6.401 -6.188 -8.013 1.00 0.00 H new ATOM 0 HA MET A 12 5.625 -4.045 -9.625 1.00 0.00 H new ATOM 0 HB2 MET A 12 8.281 -4.226 -8.184 1.00 0.00 H new ATOM 0 HB3 MET A 12 7.308 -2.800 -8.485 1.00 0.00 H new ATOM 0 HG2 MET A 12 6.758 -5.037 -6.523 1.00 0.00 H new ATOM 0 HG3 MET A 12 7.098 -3.355 -6.167 1.00 0.00 H new ATOM 0 HE1 MET A 12 4.278 -1.351 -6.666 1.00 0.00 H new ATOM 0 HE2 MET A 12 5.902 -1.568 -7.361 1.00 0.00 H new ATOM 0 HE3 MET A 12 4.461 -1.814 -8.375 1.00 0.00 H new ATOM 183 N LYS A 13 8.506 -5.474 -10.449 1.00 0.00 N ATOM 184 CA LYS A 13 9.477 -5.636 -11.523 1.00 0.00 C ATOM 185 C LYS A 13 8.774 -6.058 -12.802 1.00 0.00 C ATOM 186 O LYS A 13 9.021 -5.507 -13.874 1.00 0.00 O ATOM 187 CB LYS A 13 10.533 -6.674 -11.137 1.00 0.00 C ATOM 188 CG LYS A 13 11.888 -6.432 -11.782 1.00 0.00 C ATOM 189 CD LYS A 13 12.757 -7.678 -11.737 1.00 0.00 C ATOM 190 CE LYS A 13 12.579 -8.527 -12.985 1.00 0.00 C ATOM 191 NZ LYS A 13 11.809 -9.771 -12.707 1.00 0.00 N ATOM 0 H LYS A 13 8.702 -6.028 -9.615 1.00 0.00 H new ATOM 0 HA LYS A 13 9.974 -4.680 -11.690 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.651 -6.675 -10.053 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.177 -7.665 -11.420 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.749 -6.121 -12.818 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.395 -5.615 -11.269 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.803 -7.390 -11.638 1.00 0.00 H new ATOM 0 HD3 LYS A 13 12.504 -8.267 -10.856 1.00 0.00 H new ATOM 0 HE2 LYS A 13 12.064 -7.945 -13.749 1.00 0.00 H new ATOM 0 HE3 LYS A 13 13.557 -8.788 -13.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 11.710 -10.321 -13.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 12.313 -10.339 -11.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 10.866 -9.522 -12.346 1.00 0.00 H new ATOM 205 N ARG A 14 7.892 -7.038 -12.672 1.00 0.00 N ATOM 206 CA ARG A 14 7.138 -7.542 -13.810 1.00 0.00 C ATOM 207 C ARG A 14 6.232 -6.454 -14.370 1.00 0.00 C ATOM 208 O ARG A 14 6.067 -6.332 -15.585 1.00 0.00 O ATOM 209 CB ARG A 14 6.304 -8.758 -13.402 1.00 0.00 C ATOM 210 CG ARG A 14 6.023 -9.715 -14.549 1.00 0.00 C ATOM 211 CD ARG A 14 4.635 -9.497 -15.128 1.00 0.00 C ATOM 212 NE ARG A 14 4.685 -9.085 -16.528 1.00 0.00 N ATOM 213 CZ ARG A 14 4.340 -9.874 -17.543 1.00 0.00 C ATOM 214 NH1 ARG A 14 3.921 -11.111 -17.312 1.00 0.00 N ATOM 215 NH2 ARG A 14 4.414 -9.425 -18.787 1.00 0.00 N ATOM 0 H ARG A 14 7.681 -7.501 -11.788 1.00 0.00 H new ATOM 0 HA ARG A 14 7.844 -7.844 -14.583 1.00 0.00 H new ATOM 0 HB2 ARG A 14 6.825 -9.296 -12.610 1.00 0.00 H new ATOM 0 HB3 ARG A 14 5.357 -8.415 -12.985 1.00 0.00 H new ATOM 0 HG2 ARG A 14 6.770 -9.577 -15.331 1.00 0.00 H new ATOM 0 HG3 ARG A 14 6.115 -10.743 -14.198 1.00 0.00 H new ATOM 0 HD2 ARG A 14 4.057 -10.417 -15.041 1.00 0.00 H new ATOM 0 HD3 ARG A 14 4.114 -8.738 -14.545 1.00 0.00 H new ATOM 0 HE ARG A 14 5.002 -8.139 -16.740 1.00 0.00 H new ATOM 0 HH11 ARG A 14 3.863 -11.459 -16.355 1.00 0.00 H new ATOM 0 HH12 ARG A 14 3.657 -11.714 -18.091 1.00 0.00 H new ATOM 0 HH21 ARG A 14 4.736 -8.474 -18.968 1.00 0.00 H new ATOM 0 HH22 ARG A 14 4.149 -10.030 -19.564 1.00 0.00 H new ATOM 229 N HIS A 15 5.626 -5.678 -13.476 1.00 0.00 N ATOM 230 CA HIS A 15 4.712 -4.617 -13.874 1.00 0.00 C ATOM 231 C HIS A 15 5.466 -3.397 -14.388 1.00 0.00 C ATOM 232 O HIS A 15 4.853 -2.434 -14.849 1.00 0.00 O ATOM 233 CB HIS A 15 3.832 -4.215 -12.691 1.00 0.00 C ATOM 234 CG HIS A 15 2.576 -5.023 -12.572 1.00 0.00 C ATOM 235 ND1 HIS A 15 1.918 -5.215 -11.375 1.00 0.00 N ATOM 236 CD2 HIS A 15 1.855 -5.689 -13.505 1.00 0.00 C ATOM 237 CE1 HIS A 15 0.848 -5.963 -11.577 1.00 0.00 C ATOM 238 NE2 HIS A 15 0.787 -6.264 -12.861 1.00 0.00 N ATOM 0 H HIS A 15 5.753 -5.766 -12.468 1.00 0.00 H new ATOM 0 HA HIS A 15 4.089 -4.999 -14.683 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.407 -4.317 -11.771 1.00 0.00 H new ATOM 0 HB3 HIS A 15 3.568 -3.162 -12.787 1.00 0.00 H new ATOM 0 HD2 HIS A 15 2.078 -5.756 -14.560 1.00 0.00 H new ATOM 0 HE1 HIS A 15 0.143 -6.275 -10.821 1.00 0.00 H new ATOM 0 HE2 HIS A 15 0.064 -6.832 -13.303 1.00 0.00 H new ATOM 247 N GLY A 16 6.793 -3.452 -14.352 1.00 0.00 N ATOM 248 CA GLY A 16 7.590 -2.358 -14.865 1.00 0.00 C ATOM 249 C GLY A 16 7.746 -1.182 -13.918 1.00 0.00 C ATOM 250 O GLY A 16 8.083 -0.086 -14.368 1.00 0.00 O ATOM 0 H GLY A 16 7.329 -4.235 -13.977 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.581 -2.736 -15.117 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.139 -2.002 -15.791 1.00 0.00 H new ATOM 254 N LEU A 17 7.519 -1.370 -12.617 1.00 0.00 N ATOM 255 CA LEU A 17 7.671 -0.258 -11.687 1.00 0.00 C ATOM 256 C LEU A 17 9.099 -0.196 -11.187 1.00 0.00 C ATOM 257 O LEU A 17 9.457 0.651 -10.371 1.00 0.00 O ATOM 258 CB LEU A 17 6.702 -0.370 -10.508 1.00 0.00 C ATOM 259 CG LEU A 17 5.299 -0.898 -10.825 1.00 0.00 C ATOM 260 CD1 LEU A 17 4.272 -0.222 -9.932 1.00 0.00 C ATOM 261 CD2 LEU A 17 4.927 -0.684 -12.288 1.00 0.00 C ATOM 0 H LEU A 17 7.238 -2.255 -12.196 1.00 0.00 H new ATOM 0 HA LEU A 17 7.433 0.661 -12.222 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.151 -1.022 -9.758 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.601 0.616 -10.054 1.00 0.00 H new ATOM 0 HG LEU A 17 5.304 -1.971 -10.635 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.279 -0.605 -10.166 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.505 -0.430 -8.888 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.295 0.855 -10.101 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.925 -1.073 -12.469 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.950 0.381 -12.517 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.640 -1.207 -12.925 1.00 0.00 H new ATOM 273 N ASP A 18 9.903 -1.108 -11.693 1.00 0.00 N ATOM 274 CA ASP A 18 11.309 -1.187 -11.324 1.00 0.00 C ATOM 275 C ASP A 18 12.097 -0.037 -11.949 1.00 0.00 C ATOM 276 O ASP A 18 12.620 -0.150 -13.059 1.00 0.00 O ATOM 277 CB ASP A 18 11.891 -2.540 -11.744 1.00 0.00 C ATOM 278 CG ASP A 18 13.393 -2.498 -11.954 1.00 0.00 C ATOM 279 OD1 ASP A 18 14.111 -2.075 -11.024 1.00 0.00 O ATOM 280 OD2 ASP A 18 13.849 -2.890 -13.048 1.00 0.00 O ATOM 0 H ASP A 18 9.607 -1.813 -12.368 1.00 0.00 H new ATOM 0 HA ASP A 18 11.390 -1.099 -10.241 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.657 -3.283 -10.982 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.409 -2.866 -12.666 1.00 0.00 H new ATOM 285 N ASN A 19 12.164 1.073 -11.220 1.00 0.00 N ATOM 286 CA ASN A 19 12.876 2.268 -11.666 1.00 0.00 C ATOM 287 C ASN A 19 12.211 2.881 -12.889 1.00 0.00 C ATOM 288 O ASN A 19 12.876 3.447 -13.758 1.00 0.00 O ATOM 289 CB ASN A 19 14.342 1.945 -11.967 1.00 0.00 C ATOM 290 CG ASN A 19 15.297 2.679 -11.046 1.00 0.00 C ATOM 291 OD1 ASN A 19 16.084 2.062 -10.328 1.00 0.00 O ATOM 292 ND2 ASN A 19 15.230 4.006 -11.061 1.00 0.00 N ATOM 0 H ASN A 19 11.727 1.170 -10.304 1.00 0.00 H new ATOM 0 HA ASN A 19 12.838 2.997 -10.856 1.00 0.00 H new ATOM 0 HB2 ASN A 19 14.502 0.871 -11.870 1.00 0.00 H new ATOM 0 HB3 ASN A 19 14.564 2.209 -13.001 1.00 0.00 H new ATOM 0 HD21 ASN A 19 15.846 4.555 -10.461 1.00 0.00 H new ATOM 0 HD22 ASN A 19 14.562 4.476 -11.672 1.00 0.00 H new ATOM 299 N TYR A 20 10.891 2.776 -12.940 1.00 0.00 N ATOM 300 CA TYR A 20 10.127 3.334 -14.044 1.00 0.00 C ATOM 301 C TYR A 20 10.217 4.850 -13.995 1.00 0.00 C ATOM 302 O TYR A 20 10.794 5.393 -13.054 1.00 0.00 O ATOM 303 CB TYR A 20 8.664 2.884 -13.949 1.00 0.00 C ATOM 304 CG TYR A 20 7.827 3.236 -15.159 1.00 0.00 C ATOM 305 CD1 TYR A 20 8.075 2.654 -16.396 1.00 0.00 C ATOM 306 CD2 TYR A 20 6.787 4.153 -15.062 1.00 0.00 C ATOM 307 CE1 TYR A 20 7.310 2.976 -17.501 1.00 0.00 C ATOM 308 CE2 TYR A 20 6.018 4.478 -16.162 1.00 0.00 C ATOM 309 CZ TYR A 20 6.282 3.887 -17.379 1.00 0.00 C ATOM 310 OH TYR A 20 5.519 4.210 -18.477 1.00 0.00 O ATOM 0 H TYR A 20 10.328 2.309 -12.229 1.00 0.00 H new ATOM 0 HA TYR A 20 10.536 2.979 -14.990 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.636 1.804 -13.804 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.213 3.336 -13.065 1.00 0.00 H new ATOM 0 HD1 TYR A 20 8.878 1.939 -16.496 1.00 0.00 H new ATOM 0 HD2 TYR A 20 6.577 4.619 -14.111 1.00 0.00 H new ATOM 0 HE1 TYR A 20 7.516 2.516 -18.456 1.00 0.00 H new ATOM 0 HE2 TYR A 20 5.213 5.192 -16.069 1.00 0.00 H new ATOM 0 HH TYR A 20 4.837 4.865 -18.220 1.00 0.00 H new ATOM 320 N ARG A 21 9.673 5.525 -15.013 1.00 0.00 N ATOM 321 CA ARG A 21 9.698 6.985 -15.083 1.00 0.00 C ATOM 322 C ARG A 21 9.638 7.600 -13.685 1.00 0.00 C ATOM 323 O ARG A 21 10.134 8.701 -13.450 1.00 0.00 O ATOM 324 CB ARG A 21 8.530 7.496 -15.929 1.00 0.00 C ATOM 325 CG ARG A 21 8.915 8.613 -16.887 1.00 0.00 C ATOM 326 CD ARG A 21 7.800 8.904 -17.879 1.00 0.00 C ATOM 327 NE ARG A 21 8.097 8.375 -19.207 1.00 0.00 N ATOM 328 CZ ARG A 21 7.574 8.861 -20.329 1.00 0.00 C ATOM 329 NH1 ARG A 21 6.732 9.885 -20.283 1.00 0.00 N ATOM 330 NH2 ARG A 21 7.894 8.324 -21.498 1.00 0.00 N ATOM 0 H ARG A 21 9.208 5.078 -15.803 1.00 0.00 H new ATOM 0 HA ARG A 21 10.635 7.285 -15.551 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.115 6.665 -16.500 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.741 7.852 -15.267 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.145 9.516 -16.321 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.820 8.335 -17.427 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.869 8.469 -17.516 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.645 9.981 -17.944 1.00 0.00 H new ATOM 0 HE ARG A 21 8.742 7.588 -19.278 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.484 10.302 -19.386 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.332 10.256 -21.145 1.00 0.00 H new ATOM 0 HH21 ARG A 21 8.542 7.537 -21.538 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.492 8.698 -22.358 1.00 0.00 H new ATOM 344 N GLY A 22 9.056 6.846 -12.758 1.00 0.00 N ATOM 345 CA GLY A 22 8.966 7.278 -11.382 1.00 0.00 C ATOM 346 C GLY A 22 10.131 6.766 -10.553 1.00 0.00 C ATOM 347 O GLY A 22 11.215 7.349 -10.572 1.00 0.00 O ATOM 0 H GLY A 22 8.641 5.933 -12.943 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.943 8.367 -11.344 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.030 6.924 -10.950 1.00 0.00 H new ATOM 351 N TYR A 23 9.899 5.691 -9.803 1.00 0.00 N ATOM 352 CA TYR A 23 10.939 5.131 -8.943 1.00 0.00 C ATOM 353 C TYR A 23 11.061 3.617 -9.063 1.00 0.00 C ATOM 354 O TYR A 23 10.378 2.982 -9.864 1.00 0.00 O ATOM 355 CB TYR A 23 10.669 5.513 -7.489 1.00 0.00 C ATOM 356 CG TYR A 23 10.972 6.960 -7.177 1.00 0.00 C ATOM 357 CD1 TYR A 23 10.100 7.970 -7.562 1.00 0.00 C ATOM 358 CD2 TYR A 23 12.131 7.318 -6.499 1.00 0.00 C ATOM 359 CE1 TYR A 23 10.371 9.295 -7.281 1.00 0.00 C ATOM 360 CE2 TYR A 23 12.410 8.641 -6.213 1.00 0.00 C ATOM 361 CZ TYR A 23 11.527 9.625 -6.606 1.00 0.00 C ATOM 362 OH TYR A 23 11.802 10.944 -6.324 1.00 0.00 O ATOM 0 H TYR A 23 9.009 5.194 -9.773 1.00 0.00 H new ATOM 0 HA TYR A 23 11.887 5.553 -9.277 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.623 5.311 -7.257 1.00 0.00 H new ATOM 0 HB3 TYR A 23 11.268 4.877 -6.838 1.00 0.00 H new ATOM 0 HD1 TYR A 23 9.194 7.715 -8.091 1.00 0.00 H new ATOM 0 HD2 TYR A 23 12.825 6.550 -6.191 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.682 10.068 -7.588 1.00 0.00 H new ATOM 0 HE2 TYR A 23 13.315 8.903 -5.685 1.00 0.00 H new ATOM 0 HH TYR A 23 12.654 11.005 -5.843 1.00 0.00 H new ATOM 372 N SER A 24 11.956 3.054 -8.247 1.00 0.00 N ATOM 373 CA SER A 24 12.207 1.621 -8.230 1.00 0.00 C ATOM 374 C SER A 24 11.164 0.895 -7.394 1.00 0.00 C ATOM 375 O SER A 24 10.503 1.498 -6.550 1.00 0.00 O ATOM 376 CB SER A 24 13.606 1.332 -7.684 1.00 0.00 C ATOM 377 OG SER A 24 13.677 1.595 -6.294 1.00 0.00 O ATOM 0 H SER A 24 12.523 3.582 -7.583 1.00 0.00 H new ATOM 0 HA SER A 24 12.142 1.256 -9.255 1.00 0.00 H new ATOM 0 HB2 SER A 24 13.865 0.290 -7.874 1.00 0.00 H new ATOM 0 HB3 SER A 24 14.338 1.944 -8.211 1.00 0.00 H new ATOM 0 HG SER A 24 13.245 2.453 -6.101 1.00 0.00 H new ATOM 383 N LEU A 25 11.035 -0.405 -7.635 1.00 0.00 N ATOM 384 CA LEU A 25 10.078 -1.236 -6.911 1.00 0.00 C ATOM 385 C LEU A 25 10.135 -0.955 -5.413 1.00 0.00 C ATOM 386 O LEU A 25 9.103 -0.730 -4.790 1.00 0.00 O ATOM 387 CB LEU A 25 10.322 -2.716 -7.195 1.00 0.00 C ATOM 388 CG LEU A 25 11.776 -3.159 -7.158 1.00 0.00 C ATOM 389 CD1 LEU A 25 11.852 -4.636 -6.827 1.00 0.00 C ATOM 390 CD2 LEU A 25 12.443 -2.868 -8.493 1.00 0.00 C ATOM 0 H LEU A 25 11.585 -0.909 -8.331 1.00 0.00 H new ATOM 0 HA LEU A 25 9.078 -0.983 -7.263 1.00 0.00 H new ATOM 0 HB2 LEU A 25 9.763 -3.305 -6.468 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.914 -2.952 -8.178 1.00 0.00 H new ATOM 0 HG LEU A 25 12.305 -2.603 -6.384 1.00 0.00 H new ATOM 0 HD11 LEU A 25 12.896 -4.950 -6.801 1.00 0.00 H new ATOM 0 HD12 LEU A 25 11.395 -4.815 -5.854 1.00 0.00 H new ATOM 0 HD13 LEU A 25 11.320 -5.207 -7.588 1.00 0.00 H new ATOM 0 HD21 LEU A 25 13.484 -3.189 -8.457 1.00 0.00 H new ATOM 0 HD22 LEU A 25 11.924 -3.409 -9.285 1.00 0.00 H new ATOM 0 HD23 LEU A 25 12.400 -1.798 -8.696 1.00 0.00 H new ATOM 402 N GLY A 26 11.336 -0.978 -4.836 1.00 0.00 N ATOM 403 CA GLY A 26 11.480 -0.721 -3.410 1.00 0.00 C ATOM 404 C GLY A 26 10.665 0.472 -2.942 1.00 0.00 C ATOM 405 O GLY A 26 10.065 0.433 -1.869 1.00 0.00 O ATOM 0 H GLY A 26 12.209 -1.169 -5.328 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.173 -1.606 -2.853 1.00 0.00 H new ATOM 0 HA3 GLY A 26 12.532 -0.549 -3.181 1.00 0.00 H new ATOM 409 N ASN A 27 10.628 1.528 -3.752 1.00 0.00 N ATOM 410 CA ASN A 27 9.860 2.722 -3.411 1.00 0.00 C ATOM 411 C ASN A 27 8.371 2.401 -3.453 1.00 0.00 C ATOM 412 O ASN A 27 7.587 2.903 -2.648 1.00 0.00 O ATOM 413 CB ASN A 27 10.185 3.864 -4.373 1.00 0.00 C ATOM 414 CG ASN A 27 11.676 4.104 -4.500 1.00 0.00 C ATOM 415 OD1 ASN A 27 12.290 3.754 -5.507 1.00 0.00 O ATOM 416 ND2 ASN A 27 12.269 4.700 -3.472 1.00 0.00 N ATOM 0 H ASN A 27 11.119 1.581 -4.645 1.00 0.00 H new ATOM 0 HA ASN A 27 10.130 3.040 -2.404 1.00 0.00 H new ATOM 0 HB2 ASN A 27 9.771 3.637 -5.355 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.701 4.777 -4.026 1.00 0.00 H new ATOM 0 HD21 ASN A 27 13.272 4.884 -3.498 1.00 0.00 H new ATOM 0 HD22 ASN A 27 11.722 4.974 -2.656 1.00 0.00 H new ATOM 423 N TRP A 28 8.006 1.529 -4.384 1.00 0.00 N ATOM 424 CA TRP A 28 6.627 1.085 -4.535 1.00 0.00 C ATOM 425 C TRP A 28 6.221 0.243 -3.338 1.00 0.00 C ATOM 426 O TRP A 28 5.066 0.255 -2.914 1.00 0.00 O ATOM 427 CB TRP A 28 6.487 0.272 -5.813 1.00 0.00 C ATOM 428 CG TRP A 28 6.761 1.085 -7.030 1.00 0.00 C ATOM 429 CD1 TRP A 28 7.941 1.177 -7.704 1.00 0.00 C ATOM 430 CD2 TRP A 28 5.837 1.933 -7.712 1.00 0.00 C ATOM 431 NE1 TRP A 28 7.814 2.045 -8.755 1.00 0.00 N ATOM 432 CE2 TRP A 28 6.526 2.518 -8.788 1.00 0.00 C ATOM 433 CE3 TRP A 28 4.491 2.250 -7.513 1.00 0.00 C ATOM 434 CZ2 TRP A 28 5.914 3.408 -9.666 1.00 0.00 C ATOM 435 CZ3 TRP A 28 3.879 3.131 -8.381 1.00 0.00 C ATOM 436 CH2 TRP A 28 4.590 3.702 -9.449 1.00 0.00 C ATOM 0 H TRP A 28 8.654 1.112 -5.052 1.00 0.00 H new ATOM 0 HA TRP A 28 5.974 1.956 -4.592 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.174 -0.574 -5.781 1.00 0.00 H new ATOM 0 HB3 TRP A 28 5.479 -0.139 -5.872 1.00 0.00 H new ATOM 0 HD1 TRP A 28 8.844 0.644 -7.447 1.00 0.00 H new ATOM 0 HE1 TRP A 28 8.556 2.299 -9.407 1.00 0.00 H new ATOM 0 HE3 TRP A 28 3.939 1.813 -6.694 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 6.459 3.850 -10.486 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.839 3.385 -8.237 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.085 4.387 -10.114 1.00 0.00 H new ATOM 447 N VAL A 29 7.191 -0.486 -2.800 1.00 0.00 N ATOM 448 CA VAL A 29 6.967 -1.344 -1.651 1.00 0.00 C ATOM 449 C VAL A 29 6.819 -0.523 -0.383 1.00 0.00 C ATOM 450 O VAL A 29 5.894 -0.725 0.394 1.00 0.00 O ATOM 451 CB VAL A 29 8.130 -2.339 -1.482 1.00 0.00 C ATOM 452 CG1 VAL A 29 7.973 -3.159 -0.209 1.00 0.00 C ATOM 453 CG2 VAL A 29 8.238 -3.238 -2.705 1.00 0.00 C ATOM 0 H VAL A 29 8.150 -0.497 -3.148 1.00 0.00 H new ATOM 0 HA VAL A 29 6.044 -1.896 -1.826 1.00 0.00 H new ATOM 0 HB VAL A 29 9.056 -1.771 -1.391 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.809 -3.852 -0.117 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.958 -2.493 0.653 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.039 -3.720 -0.250 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.064 -3.936 -2.572 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.309 -3.795 -2.831 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.418 -2.628 -3.590 1.00 0.00 H new ATOM 463 N CYS A 30 7.744 0.400 -0.181 1.00 0.00 N ATOM 464 CA CYS A 30 7.723 1.255 0.992 1.00 0.00 C ATOM 465 C CYS A 30 6.408 2.026 1.083 1.00 0.00 C ATOM 466 O CYS A 30 5.756 2.047 2.132 1.00 0.00 O ATOM 467 CB CYS A 30 8.900 2.227 0.934 1.00 0.00 C ATOM 468 SG CYS A 30 9.371 2.930 2.542 1.00 0.00 S ATOM 0 H CYS A 30 8.521 0.576 -0.817 1.00 0.00 H new ATOM 0 HA CYS A 30 7.809 0.631 1.881 1.00 0.00 H new ATOM 0 HB2 CYS A 30 9.761 1.711 0.510 1.00 0.00 H new ATOM 0 HB3 CYS A 30 8.650 3.041 0.254 1.00 0.00 H new ATOM 473 N ALA A 31 6.024 2.658 -0.024 1.00 0.00 N ATOM 474 CA ALA A 31 4.794 3.436 -0.077 1.00 0.00 C ATOM 475 C ALA A 31 3.568 2.562 0.158 1.00 0.00 C ATOM 476 O ALA A 31 2.682 2.922 0.930 1.00 0.00 O ATOM 477 CB ALA A 31 4.681 4.151 -1.415 1.00 0.00 C ATOM 0 H ALA A 31 6.551 2.645 -0.897 1.00 0.00 H new ATOM 0 HA ALA A 31 4.834 4.176 0.722 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.757 4.729 -1.442 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.532 4.820 -1.543 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.673 3.417 -2.220 1.00 0.00 H new ATOM 483 N ALA A 32 3.522 1.416 -0.515 1.00 0.00 N ATOM 484 CA ALA A 32 2.398 0.496 -0.381 1.00 0.00 C ATOM 485 C ALA A 32 2.338 -0.120 1.012 1.00 0.00 C ATOM 486 O ALA A 32 1.280 -0.147 1.641 1.00 0.00 O ATOM 487 CB ALA A 32 2.485 -0.596 -1.436 1.00 0.00 C ATOM 0 H ALA A 32 4.249 1.103 -1.158 1.00 0.00 H new ATOM 0 HA ALA A 32 1.482 1.067 -0.530 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.641 -1.276 -1.326 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.461 -0.146 -2.428 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.416 -1.149 -1.311 1.00 0.00 H new ATOM 493 N LYS A 33 3.476 -0.624 1.482 1.00 0.00 N ATOM 494 CA LYS A 33 3.567 -1.256 2.793 1.00 0.00 C ATOM 495 C LYS A 33 2.864 -0.437 3.857 1.00 0.00 C ATOM 496 O LYS A 33 1.965 -0.924 4.536 1.00 0.00 O ATOM 497 CB LYS A 33 5.034 -1.440 3.188 1.00 0.00 C ATOM 498 CG LYS A 33 5.223 -2.187 4.498 1.00 0.00 C ATOM 499 CD LYS A 33 6.641 -2.718 4.636 1.00 0.00 C ATOM 500 CE LYS A 33 7.138 -2.615 6.069 1.00 0.00 C ATOM 501 NZ LYS A 33 7.478 -3.948 6.636 1.00 0.00 N ATOM 0 H LYS A 33 4.356 -0.606 0.967 1.00 0.00 H new ATOM 0 HA LYS A 33 3.075 -2.226 2.724 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.550 -1.980 2.394 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.506 -0.461 3.267 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.999 -1.523 5.333 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.516 -3.015 4.551 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.674 -3.758 4.312 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.306 -2.158 3.978 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.017 -1.971 6.103 1.00 0.00 H new ATOM 0 HE3 LYS A 33 6.373 -2.143 6.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 7.813 -3.834 7.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.633 -4.555 6.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.226 -4.388 6.063 1.00 0.00 H new ATOM 515 N PHE A 34 3.295 0.801 4.017 1.00 0.00 N ATOM 516 CA PHE A 34 2.707 1.665 5.027 1.00 0.00 C ATOM 517 C PHE A 34 1.337 2.172 4.619 1.00 0.00 C ATOM 518 O PHE A 34 0.521 2.523 5.471 1.00 0.00 O ATOM 519 CB PHE A 34 3.631 2.822 5.345 1.00 0.00 C ATOM 520 CG PHE A 34 4.581 2.543 6.477 1.00 0.00 C ATOM 521 CD1 PHE A 34 4.109 2.371 7.768 1.00 0.00 C ATOM 522 CD2 PHE A 34 5.944 2.452 6.246 1.00 0.00 C ATOM 523 CE1 PHE A 34 4.980 2.113 8.810 1.00 0.00 C ATOM 524 CE2 PHE A 34 6.820 2.195 7.285 1.00 0.00 C ATOM 525 CZ PHE A 34 6.337 2.026 8.568 1.00 0.00 C ATOM 0 H PHE A 34 4.041 1.228 3.468 1.00 0.00 H new ATOM 0 HA PHE A 34 2.574 1.064 5.927 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.206 3.072 4.453 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.031 3.697 5.593 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.049 2.439 7.963 1.00 0.00 H new ATOM 0 HD2 PHE A 34 6.326 2.583 5.244 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.600 1.980 9.812 1.00 0.00 H new ATOM 0 HE2 PHE A 34 7.881 2.127 7.093 1.00 0.00 H new ATOM 0 HZ PHE A 34 7.020 1.826 9.381 1.00 0.00 H new ATOM 535 N GLU A 35 1.085 2.224 3.322 1.00 0.00 N ATOM 536 CA GLU A 35 -0.187 2.704 2.813 1.00 0.00 C ATOM 537 C GLU A 35 -1.359 1.854 3.288 1.00 0.00 C ATOM 538 O GLU A 35 -2.318 2.364 3.867 1.00 0.00 O ATOM 539 CB GLU A 35 -0.147 2.696 1.285 1.00 0.00 C ATOM 540 CG GLU A 35 -0.210 4.081 0.664 1.00 0.00 C ATOM 541 CD GLU A 35 0.338 4.109 -0.749 1.00 0.00 C ATOM 542 OE1 GLU A 35 -0.413 3.763 -1.684 1.00 0.00 O ATOM 543 OE2 GLU A 35 1.520 4.476 -0.921 1.00 0.00 O ATOM 0 H GLU A 35 1.747 1.939 2.601 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.338 3.714 3.194 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.768 2.202 0.957 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.981 2.102 0.912 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.244 4.425 0.656 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.354 4.779 1.283 1.00 0.00 H new ATOM 550 N SER A 36 -1.301 0.568 2.977 1.00 0.00 N ATOM 551 CA SER A 36 -2.389 -0.349 3.310 1.00 0.00 C ATOM 552 C SER A 36 -1.894 -1.614 3.996 1.00 0.00 C ATOM 553 O SER A 36 -2.623 -2.604 4.071 1.00 0.00 O ATOM 554 CB SER A 36 -3.117 -0.734 2.019 1.00 0.00 C ATOM 555 OG SER A 36 -2.188 -1.068 1.005 1.00 0.00 O ATOM 0 H SER A 36 -0.514 0.133 2.495 1.00 0.00 H new ATOM 0 HA SER A 36 -3.055 0.161 4.005 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.779 -1.580 2.206 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.744 0.094 1.687 1.00 0.00 H new ATOM 0 HG SER A 36 -1.558 -1.737 1.346 1.00 0.00 H new ATOM 561 N ASN A 37 -0.656 -1.601 4.469 1.00 0.00 N ATOM 562 CA ASN A 37 -0.093 -2.782 5.109 1.00 0.00 C ATOM 563 C ASN A 37 -0.123 -3.934 4.114 1.00 0.00 C ATOM 564 O ASN A 37 -0.232 -5.097 4.490 1.00 0.00 O ATOM 565 CB ASN A 37 -0.876 -3.144 6.374 1.00 0.00 C ATOM 566 CG ASN A 37 -0.522 -2.253 7.548 1.00 0.00 C ATOM 567 OD1 ASN A 37 -0.491 -1.028 7.425 1.00 0.00 O ATOM 568 ND2 ASN A 37 -0.254 -2.864 8.696 1.00 0.00 N ATOM 0 H ASN A 37 -0.029 -0.798 4.423 1.00 0.00 H new ATOM 0 HA ASN A 37 0.935 -2.578 5.408 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.944 -3.066 6.171 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -0.676 -4.183 6.637 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -0.011 -2.316 9.521 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -0.292 -3.882 8.753 1.00 0.00 H new ATOM 575 N PHE A 38 -0.013 -3.565 2.838 1.00 0.00 N ATOM 576 CA PHE A 38 -0.009 -4.485 1.713 1.00 0.00 C ATOM 577 C PHE A 38 -1.393 -5.056 1.436 1.00 0.00 C ATOM 578 O PHE A 38 -1.526 -6.088 0.784 1.00 0.00 O ATOM 579 CB PHE A 38 1.039 -5.581 1.901 1.00 0.00 C ATOM 580 CG PHE A 38 2.437 -5.067 1.710 1.00 0.00 C ATOM 581 CD1 PHE A 38 2.736 -4.231 0.645 1.00 0.00 C ATOM 582 CD2 PHE A 38 3.446 -5.401 2.596 1.00 0.00 C ATOM 583 CE1 PHE A 38 4.011 -3.742 0.463 1.00 0.00 C ATOM 584 CE2 PHE A 38 4.727 -4.912 2.420 1.00 0.00 C ATOM 585 CZ PHE A 38 5.010 -4.083 1.353 1.00 0.00 C ATOM 0 H PHE A 38 0.078 -2.589 2.556 1.00 0.00 H new ATOM 0 HA PHE A 38 0.271 -3.916 0.827 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.943 -6.006 2.900 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.850 -6.387 1.192 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.958 -3.959 -0.052 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.231 -6.049 3.432 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.228 -3.094 -0.373 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.507 -5.179 3.118 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.011 -3.702 1.215 1.00 0.00 H new ATOM 595 N ASN A 39 -2.425 -4.350 1.888 1.00 0.00 N ATOM 596 CA ASN A 39 -3.799 -4.772 1.644 1.00 0.00 C ATOM 597 C ASN A 39 -4.255 -4.240 0.295 1.00 0.00 C ATOM 598 O ASN A 39 -4.433 -3.035 0.116 1.00 0.00 O ATOM 599 CB ASN A 39 -4.725 -4.280 2.755 1.00 0.00 C ATOM 600 CG ASN A 39 -5.895 -5.216 2.984 1.00 0.00 C ATOM 601 OD1 ASN A 39 -6.428 -5.806 2.043 1.00 0.00 O ATOM 602 ND2 ASN A 39 -6.304 -5.356 4.240 1.00 0.00 N ATOM 0 H ASN A 39 -2.336 -3.486 2.423 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.840 -5.861 1.636 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.157 -4.178 3.680 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -5.100 -3.289 2.500 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.088 -5.971 4.455 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -5.834 -4.848 4.989 1.00 0.00 H new ATOM 609 N THR A 40 -4.398 -5.143 -0.663 1.00 0.00 N ATOM 610 CA THR A 40 -4.780 -4.771 -2.017 1.00 0.00 C ATOM 611 C THR A 40 -6.288 -4.823 -2.213 1.00 0.00 C ATOM 612 O THR A 40 -6.838 -4.133 -3.072 1.00 0.00 O ATOM 613 CB THR A 40 -4.106 -5.707 -3.038 1.00 0.00 C ATOM 614 OG1 THR A 40 -4.956 -6.825 -3.317 1.00 0.00 O ATOM 615 CG2 THR A 40 -2.772 -6.208 -2.507 1.00 0.00 C ATOM 0 H THR A 40 -4.254 -6.144 -0.527 1.00 0.00 H new ATOM 0 HA THR A 40 -4.447 -3.745 -2.176 1.00 0.00 H new ATOM 0 HB THR A 40 -3.933 -5.143 -3.955 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.801 -7.133 -4.234 1.00 0.00 H new ATOM 0 HG21 THR A 40 -2.312 -6.868 -3.243 1.00 0.00 H new ATOM 0 HG22 THR A 40 -2.114 -5.360 -2.318 1.00 0.00 H new ATOM 0 HG23 THR A 40 -2.933 -6.756 -1.579 1.00 0.00 H new ATOM 623 N GLN A 41 -6.947 -5.656 -1.425 1.00 0.00 N ATOM 624 CA GLN A 41 -8.389 -5.821 -1.518 1.00 0.00 C ATOM 625 C GLN A 41 -9.135 -4.906 -0.546 1.00 0.00 C ATOM 626 O GLN A 41 -10.363 -4.941 -0.473 1.00 0.00 O ATOM 627 CB GLN A 41 -8.750 -7.276 -1.241 1.00 0.00 C ATOM 628 CG GLN A 41 -8.799 -8.142 -2.490 1.00 0.00 C ATOM 629 CD GLN A 41 -9.612 -9.406 -2.292 1.00 0.00 C ATOM 630 OE1 GLN A 41 -10.669 -9.386 -1.662 1.00 0.00 O ATOM 631 NE2 GLN A 41 -9.121 -10.515 -2.832 1.00 0.00 N ATOM 0 H GLN A 41 -6.504 -6.232 -0.709 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.694 -5.543 -2.527 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.022 -7.696 -0.547 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.720 -7.312 -0.746 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.225 -7.565 -3.311 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.784 -8.410 -2.782 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -8.241 -10.485 -3.346 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -9.624 -11.397 -2.733 1.00 0.00 H new ATOM 640 N ALA A 42 -8.392 -4.106 0.212 1.00 0.00 N ATOM 641 CA ALA A 42 -9.002 -3.208 1.188 1.00 0.00 C ATOM 642 C ALA A 42 -9.221 -1.802 0.637 1.00 0.00 C ATOM 643 O ALA A 42 -8.792 -1.470 -0.469 1.00 0.00 O ATOM 644 CB ALA A 42 -8.151 -3.144 2.446 1.00 0.00 C ATOM 0 H ALA A 42 -7.374 -4.060 0.171 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.984 -3.618 1.426 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.616 -2.471 3.166 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.069 -4.140 2.881 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.157 -2.775 2.194 1.00 0.00 H new ATOM 650 N THR A 43 -9.886 -0.983 1.446 1.00 0.00 N ATOM 651 CA THR A 43 -10.179 0.404 1.102 1.00 0.00 C ATOM 652 C THR A 43 -9.839 1.311 2.285 1.00 0.00 C ATOM 653 O THR A 43 -9.920 0.883 3.437 1.00 0.00 O ATOM 654 CB THR A 43 -11.664 0.592 0.737 1.00 0.00 C ATOM 655 OG1 THR A 43 -12.473 0.505 1.916 1.00 0.00 O ATOM 656 CG2 THR A 43 -12.114 -0.457 -0.269 1.00 0.00 C ATOM 0 H THR A 43 -10.238 -1.264 2.361 1.00 0.00 H new ATOM 0 HA THR A 43 -9.573 0.668 0.236 1.00 0.00 H new ATOM 0 HB THR A 43 -11.781 1.578 0.286 1.00 0.00 H new ATOM 0 HG1 THR A 43 -13.415 0.627 1.676 1.00 0.00 H new ATOM 0 HG21 THR A 43 -13.166 -0.302 -0.510 1.00 0.00 H new ATOM 0 HG22 THR A 43 -11.517 -0.370 -1.177 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.982 -1.451 0.158 1.00 0.00 H new ATOM 664 N ASN A 44 -9.455 2.556 2.012 1.00 0.00 N ATOM 665 CA ASN A 44 -9.106 3.489 3.083 1.00 0.00 C ATOM 666 C ASN A 44 -9.899 4.788 2.972 1.00 0.00 C ATOM 667 O ASN A 44 -9.548 5.678 2.200 1.00 0.00 O ATOM 668 CB ASN A 44 -7.606 3.792 3.056 1.00 0.00 C ATOM 669 CG ASN A 44 -6.912 3.393 4.344 1.00 0.00 C ATOM 670 OD1 ASN A 44 -6.812 4.186 5.280 1.00 0.00 O ATOM 671 ND2 ASN A 44 -6.428 2.158 4.398 1.00 0.00 N ATOM 0 H ASN A 44 -9.378 2.940 1.070 1.00 0.00 H new ATOM 0 HA ASN A 44 -9.362 3.015 4.031 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -7.147 3.264 2.220 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -7.456 4.857 2.881 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -5.951 1.834 5.239 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -6.533 1.534 3.598 1.00 0.00 H new ATOM 678 N ARG A 45 -10.972 4.889 3.753 1.00 0.00 N ATOM 679 CA ARG A 45 -11.818 6.077 3.741 1.00 0.00 C ATOM 680 C ARG A 45 -11.083 7.288 4.311 1.00 0.00 C ATOM 681 O ARG A 45 -10.629 7.273 5.455 1.00 0.00 O ATOM 682 CB ARG A 45 -13.097 5.823 4.541 1.00 0.00 C ATOM 683 CG ARG A 45 -14.232 5.251 3.708 1.00 0.00 C ATOM 684 CD ARG A 45 -15.574 5.833 4.119 1.00 0.00 C ATOM 685 NE ARG A 45 -16.390 4.866 4.849 1.00 0.00 N ATOM 686 CZ ARG A 45 -16.298 4.664 6.160 1.00 0.00 C ATOM 687 NH1 ARG A 45 -15.430 5.358 6.883 1.00 0.00 N ATOM 688 NH2 ARG A 45 -17.075 3.766 6.749 1.00 0.00 N ATOM 0 H ARG A 45 -11.275 4.162 4.401 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.076 6.292 2.704 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -12.875 5.136 5.357 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -13.425 6.759 4.993 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -14.052 5.460 2.654 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -14.255 4.167 3.819 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -15.412 6.713 4.741 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -16.112 6.165 3.231 1.00 0.00 H new ATOM 0 HE ARG A 45 -17.069 4.315 4.323 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -14.830 6.050 6.434 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -15.362 5.200 7.888 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -17.744 3.230 6.197 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -17.004 3.611 7.755 1.00 0.00 H new ATOM 702 N ASN A 46 -10.974 8.336 3.501 1.00 0.00 N ATOM 703 CA ASN A 46 -10.300 9.564 3.910 1.00 0.00 C ATOM 704 C ASN A 46 -11.297 10.569 4.473 1.00 0.00 C ATOM 705 O ASN A 46 -12.492 10.290 4.572 1.00 0.00 O ATOM 706 CB ASN A 46 -9.553 10.181 2.728 1.00 0.00 C ATOM 707 CG ASN A 46 -8.726 9.161 1.970 1.00 0.00 C ATOM 708 OD1 ASN A 46 -9.157 8.633 0.945 1.00 0.00 O ATOM 709 ND2 ASN A 46 -7.530 8.878 2.472 1.00 0.00 N ATOM 0 H ASN A 46 -11.346 8.359 2.552 1.00 0.00 H new ATOM 0 HA ASN A 46 -9.583 9.311 4.691 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.271 10.640 2.048 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -8.902 10.977 3.089 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -6.929 8.199 2.005 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -7.212 9.340 3.324 1.00 0.00 H new ATOM 716 N THR A 47 -10.790 11.738 4.845 1.00 0.00 N ATOM 717 CA THR A 47 -11.626 12.792 5.409 1.00 0.00 C ATOM 718 C THR A 47 -11.783 13.966 4.444 1.00 0.00 C ATOM 719 O THR A 47 -12.140 15.070 4.854 1.00 0.00 O ATOM 720 CB THR A 47 -11.050 13.312 6.738 1.00 0.00 C ATOM 721 OG1 THR A 47 -9.735 13.839 6.529 1.00 0.00 O ATOM 722 CG2 THR A 47 -10.998 12.201 7.777 1.00 0.00 C ATOM 0 H THR A 47 -9.802 11.981 4.766 1.00 0.00 H new ATOM 0 HA THR A 47 -12.605 12.347 5.588 1.00 0.00 H new ATOM 0 HB THR A 47 -11.703 14.103 7.107 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.376 14.169 7.379 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.587 12.592 8.708 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.004 11.822 7.955 1.00 0.00 H new ATOM 0 HG23 THR A 47 -10.365 11.392 7.413 1.00 0.00 H new ATOM 730 N ASP A 48 -11.519 13.724 3.163 1.00 0.00 N ATOM 731 CA ASP A 48 -11.637 14.770 2.150 1.00 0.00 C ATOM 732 C ASP A 48 -12.748 14.443 1.155 1.00 0.00 C ATOM 733 O ASP A 48 -13.091 15.260 0.300 1.00 0.00 O ATOM 734 CB ASP A 48 -10.310 14.956 1.415 1.00 0.00 C ATOM 735 CG ASP A 48 -9.986 13.796 0.496 1.00 0.00 C ATOM 736 OD1 ASP A 48 -9.853 12.661 0.998 1.00 0.00 O ATOM 737 OD2 ASP A 48 -9.862 14.023 -0.726 1.00 0.00 O ATOM 0 H ASP A 48 -11.223 12.817 2.802 1.00 0.00 H new ATOM 0 HA ASP A 48 -11.892 15.701 2.656 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -10.347 15.877 0.833 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.508 15.072 2.144 1.00 0.00 H new ATOM 742 N GLY A 49 -13.308 13.244 1.278 1.00 0.00 N ATOM 743 CA GLY A 49 -14.378 12.826 0.389 1.00 0.00 C ATOM 744 C GLY A 49 -13.927 11.792 -0.624 1.00 0.00 C ATOM 745 O GLY A 49 -14.461 11.725 -1.731 1.00 0.00 O ATOM 0 H GLY A 49 -13.040 12.553 1.979 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -15.197 12.416 0.980 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -14.769 13.697 -0.137 1.00 0.00 H new ATOM 749 N SER A 50 -12.948 10.983 -0.241 1.00 0.00 N ATOM 750 CA SER A 50 -12.427 9.942 -1.120 1.00 0.00 C ATOM 751 C SER A 50 -11.955 8.738 -0.317 1.00 0.00 C ATOM 752 O SER A 50 -11.909 8.779 0.912 1.00 0.00 O ATOM 753 CB SER A 50 -11.280 10.483 -1.974 1.00 0.00 C ATOM 754 OG SER A 50 -10.580 11.512 -1.297 1.00 0.00 O ATOM 0 H SER A 50 -12.498 11.027 0.673 1.00 0.00 H new ATOM 0 HA SER A 50 -13.236 9.624 -1.778 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.593 9.673 -2.221 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.673 10.865 -2.916 1.00 0.00 H new ATOM 0 HG SER A 50 -10.474 11.269 -0.353 1.00 0.00 H new ATOM 760 N THR A 51 -11.613 7.666 -1.021 1.00 0.00 N ATOM 761 CA THR A 51 -11.149 6.443 -0.375 1.00 0.00 C ATOM 762 C THR A 51 -10.011 5.802 -1.166 1.00 0.00 C ATOM 763 O THR A 51 -9.914 5.973 -2.381 1.00 0.00 O ATOM 764 CB THR A 51 -12.301 5.431 -0.218 1.00 0.00 C ATOM 765 OG1 THR A 51 -13.373 6.022 0.526 1.00 0.00 O ATOM 766 CG2 THR A 51 -11.832 4.166 0.484 1.00 0.00 C ATOM 0 H THR A 51 -11.648 7.618 -2.039 1.00 0.00 H new ATOM 0 HA THR A 51 -10.781 6.717 0.614 1.00 0.00 H new ATOM 0 HB THR A 51 -12.650 5.162 -1.215 1.00 0.00 H new ATOM 0 HG1 THR A 51 -14.160 5.439 0.485 1.00 0.00 H new ATOM 0 HG21 THR A 51 -12.667 3.472 0.580 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.038 3.700 -0.099 1.00 0.00 H new ATOM 0 HG23 THR A 51 -11.455 4.418 1.475 1.00 0.00 H new ATOM 774 N ASP A 52 -9.159 5.058 -0.469 1.00 0.00 N ATOM 775 CA ASP A 52 -8.031 4.379 -1.097 1.00 0.00 C ATOM 776 C ASP A 52 -8.381 2.939 -1.389 1.00 0.00 C ATOM 777 O ASP A 52 -8.277 2.073 -0.521 1.00 0.00 O ATOM 778 CB ASP A 52 -6.800 4.451 -0.195 1.00 0.00 C ATOM 779 CG ASP A 52 -6.442 5.877 0.180 1.00 0.00 C ATOM 780 OD1 ASP A 52 -6.267 6.706 -0.738 1.00 0.00 O ATOM 781 OD2 ASP A 52 -6.338 6.164 1.391 1.00 0.00 O ATOM 0 H ASP A 52 -9.229 4.909 0.538 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.804 4.880 -2.038 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.983 3.874 0.712 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.954 3.988 -0.702 1.00 0.00 H new ATOM 786 N TYR A 53 -8.808 2.690 -2.617 1.00 0.00 N ATOM 787 CA TYR A 53 -9.187 1.354 -3.012 1.00 0.00 C ATOM 788 C TYR A 53 -7.998 0.555 -3.522 1.00 0.00 C ATOM 789 O TYR A 53 -7.752 0.466 -4.725 1.00 0.00 O ATOM 790 CB TYR A 53 -10.290 1.380 -4.064 1.00 0.00 C ATOM 791 CG TYR A 53 -11.526 2.140 -3.638 1.00 0.00 C ATOM 792 CD1 TYR A 53 -11.574 3.525 -3.710 1.00 0.00 C ATOM 793 CD2 TYR A 53 -12.648 1.468 -3.170 1.00 0.00 C ATOM 794 CE1 TYR A 53 -12.705 4.221 -3.326 1.00 0.00 C ATOM 795 CE2 TYR A 53 -13.783 2.156 -2.783 1.00 0.00 C ATOM 796 CZ TYR A 53 -13.806 3.531 -2.863 1.00 0.00 C ATOM 797 OH TYR A 53 -14.933 4.221 -2.480 1.00 0.00 O ATOM 0 H TYR A 53 -8.898 3.394 -3.349 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.568 0.859 -2.119 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -9.897 1.827 -4.977 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -10.571 0.355 -4.307 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -10.714 4.068 -4.072 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -12.633 0.390 -3.107 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -12.726 5.299 -3.388 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -14.647 1.619 -2.420 1.00 0.00 H new ATOM 0 HH TYR A 53 -15.618 3.588 -2.180 1.00 0.00 H new ATOM 807 N GLY A 54 -7.286 -0.041 -2.585 1.00 0.00 N ATOM 808 CA GLY A 54 -6.154 -0.876 -2.956 1.00 0.00 C ATOM 809 C GLY A 54 -4.934 -0.779 -2.069 1.00 0.00 C ATOM 810 O GLY A 54 -4.930 -0.100 -1.042 1.00 0.00 O ATOM 0 H GLY A 54 -7.463 0.032 -1.583 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.485 -1.914 -2.971 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.859 -0.621 -3.974 1.00 0.00 H new ATOM 814 N ILE A 55 -3.890 -1.480 -2.508 1.00 0.00 N ATOM 815 CA ILE A 55 -2.613 -1.523 -1.815 1.00 0.00 C ATOM 816 C ILE A 55 -1.786 -0.288 -2.153 1.00 0.00 C ATOM 817 O ILE A 55 -0.858 0.074 -1.430 1.00 0.00 O ATOM 818 CB ILE A 55 -1.814 -2.781 -2.219 1.00 0.00 C ATOM 819 CG1 ILE A 55 -0.609 -2.976 -1.298 1.00 0.00 C ATOM 820 CG2 ILE A 55 -1.365 -2.669 -3.668 1.00 0.00 C ATOM 821 CD1 ILE A 55 0.216 -4.199 -1.639 1.00 0.00 C ATOM 0 H ILE A 55 -3.912 -2.037 -3.362 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.815 -1.551 -0.744 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.462 -3.652 -2.118 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.026 -2.092 -1.351 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.957 -3.057 -0.268 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.802 -3.561 -3.944 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.238 -2.577 -4.313 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.732 -1.789 -3.786 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.054 -4.277 -0.947 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.405 -5.091 -1.558 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.594 -4.111 -2.658 1.00 0.00 H new ATOM 833 N LEU A 56 -2.152 0.367 -3.253 1.00 0.00 N ATOM 834 CA LEU A 56 -1.471 1.577 -3.688 1.00 0.00 C ATOM 835 C LEU A 56 -2.411 2.765 -3.543 1.00 0.00 C ATOM 836 O LEU A 56 -2.100 3.875 -3.973 1.00 0.00 O ATOM 837 CB LEU A 56 -0.989 1.455 -5.143 1.00 0.00 C ATOM 838 CG LEU A 56 0.492 1.800 -5.381 1.00 0.00 C ATOM 839 CD1 LEU A 56 0.909 3.004 -4.548 1.00 0.00 C ATOM 840 CD2 LEU A 56 1.372 0.601 -5.061 1.00 0.00 C ATOM 0 H LEU A 56 -2.919 0.076 -3.859 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.593 1.725 -3.060 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.165 0.434 -5.481 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.601 2.107 -5.766 1.00 0.00 H new ATOM 0 HG LEU A 56 0.619 2.055 -6.433 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.959 3.228 -4.733 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.300 3.865 -4.823 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.767 2.782 -3.490 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.417 0.860 -5.234 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.236 0.318 -4.017 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.095 -0.235 -5.702 1.00 0.00 H new ATOM 852 N GLN A 57 -3.564 2.515 -2.919 1.00 0.00 N ATOM 853 CA GLN A 57 -4.567 3.549 -2.687 1.00 0.00 C ATOM 854 C GLN A 57 -5.158 4.074 -3.990 1.00 0.00 C ATOM 855 O GLN A 57 -4.885 5.208 -4.384 1.00 0.00 O ATOM 856 CB GLN A 57 -3.956 4.707 -1.893 1.00 0.00 C ATOM 857 CG GLN A 57 -3.401 4.291 -0.541 1.00 0.00 C ATOM 858 CD GLN A 57 -3.289 5.456 0.425 1.00 0.00 C ATOM 859 OE1 GLN A 57 -2.887 6.555 0.046 1.00 0.00 O ATOM 860 NE2 GLN A 57 -3.644 5.217 1.682 1.00 0.00 N ATOM 0 H GLN A 57 -3.825 1.595 -2.563 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.375 3.095 -2.114 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.157 5.158 -2.481 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.715 5.475 -1.744 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -4.044 3.525 -0.108 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.418 3.841 -0.678 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -3.972 4.290 1.952 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.589 5.961 2.378 1.00 0.00 H new ATOM 869 N ILE A 58 -5.976 3.260 -4.665 1.00 0.00 N ATOM 870 CA ILE A 58 -6.583 3.692 -5.907 1.00 0.00 C ATOM 871 C ILE A 58 -7.886 4.410 -5.626 1.00 0.00 C ATOM 872 O ILE A 58 -8.946 3.788 -5.554 1.00 0.00 O ATOM 873 CB ILE A 58 -6.849 2.509 -6.858 1.00 0.00 C ATOM 874 CG1 ILE A 58 -5.676 1.524 -6.832 1.00 0.00 C ATOM 875 CG2 ILE A 58 -7.096 3.015 -8.272 1.00 0.00 C ATOM 876 CD1 ILE A 58 -4.319 2.177 -7.007 1.00 0.00 C ATOM 0 H ILE A 58 -6.224 2.315 -4.371 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.881 4.369 -6.394 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.742 1.983 -6.519 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.689 0.984 -5.885 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.817 0.786 -7.621 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.283 2.169 -8.934 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.962 3.677 -8.276 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.220 3.562 -8.621 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.541 1.414 -6.977 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.284 2.693 -7.967 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.154 2.895 -6.203 1.00 0.00 H new ATOM 888 N ASN A 59 -7.805 5.723 -5.464 1.00 0.00 N ATOM 889 CA ASN A 59 -8.986 6.517 -5.192 1.00 0.00 C ATOM 890 C ASN A 59 -9.971 6.388 -6.341 1.00 0.00 C ATOM 891 O ASN A 59 -9.816 7.033 -7.374 1.00 0.00 O ATOM 892 CB ASN A 59 -8.606 7.984 -4.986 1.00 0.00 C ATOM 893 CG ASN A 59 -9.796 8.842 -4.603 1.00 0.00 C ATOM 894 OD1 ASN A 59 -10.846 8.332 -4.216 1.00 0.00 O ATOM 895 ND2 ASN A 59 -9.635 10.156 -4.710 1.00 0.00 N ATOM 0 H ASN A 59 -6.937 6.255 -5.517 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.454 6.149 -4.279 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.846 8.054 -4.208 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.161 8.373 -5.902 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.400 10.785 -4.467 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.746 10.536 -5.036 1.00 0.00 H new ATOM 902 N SER A 60 -10.982 5.550 -6.157 1.00 0.00 N ATOM 903 CA SER A 60 -11.995 5.338 -7.186 1.00 0.00 C ATOM 904 C SER A 60 -12.778 6.620 -7.464 1.00 0.00 C ATOM 905 O SER A 60 -13.592 6.669 -8.387 1.00 0.00 O ATOM 906 CB SER A 60 -12.954 4.223 -6.768 1.00 0.00 C ATOM 907 OG SER A 60 -14.055 4.742 -6.043 1.00 0.00 O ATOM 0 H SER A 60 -11.124 5.006 -5.306 1.00 0.00 H new ATOM 0 HA SER A 60 -11.482 5.045 -8.102 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.313 3.697 -7.653 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.423 3.493 -6.156 1.00 0.00 H new ATOM 0 HG SER A 60 -13.897 4.629 -5.082 1.00 0.00 H new ATOM 913 N ARG A 61 -12.522 7.658 -6.671 1.00 0.00 N ATOM 914 CA ARG A 61 -13.198 8.938 -6.846 1.00 0.00 C ATOM 915 C ARG A 61 -12.414 9.823 -7.808 1.00 0.00 C ATOM 916 O ARG A 61 -12.974 10.384 -8.748 1.00 0.00 O ATOM 917 CB ARG A 61 -13.362 9.643 -5.498 1.00 0.00 C ATOM 918 CG ARG A 61 -14.390 10.764 -5.519 1.00 0.00 C ATOM 919 CD ARG A 61 -13.813 12.059 -4.972 1.00 0.00 C ATOM 920 NE ARG A 61 -14.399 13.233 -5.612 1.00 0.00 N ATOM 921 CZ ARG A 61 -13.921 14.466 -5.472 1.00 0.00 C ATOM 922 NH1 ARG A 61 -12.853 14.685 -4.717 1.00 0.00 N ATOM 923 NH2 ARG A 61 -14.511 15.482 -6.088 1.00 0.00 N ATOM 0 H ARG A 61 -11.852 7.636 -5.902 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.187 8.752 -7.266 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.652 8.909 -4.746 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -12.399 10.050 -5.191 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -14.737 10.922 -6.540 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -15.259 10.473 -4.928 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -13.987 12.108 -3.897 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -12.733 12.066 -5.121 1.00 0.00 H new ATOM 0 HE ARG A 61 -15.222 13.100 -6.200 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -12.396 13.907 -4.242 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -12.489 15.632 -4.611 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -15.332 15.318 -6.670 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -14.143 16.427 -5.980 1.00 0.00 H new ATOM 937 N TRP A 62 -11.111 9.935 -7.566 1.00 0.00 N ATOM 938 CA TRP A 62 -10.241 10.743 -8.414 1.00 0.00 C ATOM 939 C TRP A 62 -9.677 9.903 -9.555 1.00 0.00 C ATOM 940 O TRP A 62 -9.084 10.430 -10.496 1.00 0.00 O ATOM 941 CB TRP A 62 -9.100 11.342 -7.591 1.00 0.00 C ATOM 942 CG TRP A 62 -9.371 12.741 -7.127 1.00 0.00 C ATOM 943 CD1 TRP A 62 -10.060 13.114 -6.010 1.00 0.00 C ATOM 944 CD2 TRP A 62 -8.960 13.952 -7.770 1.00 0.00 C ATOM 945 NE1 TRP A 62 -10.103 14.485 -5.918 1.00 0.00 N ATOM 946 CE2 TRP A 62 -9.435 15.021 -6.986 1.00 0.00 C ATOM 947 CE3 TRP A 62 -8.236 14.238 -8.931 1.00 0.00 C ATOM 948 CZ2 TRP A 62 -9.208 16.352 -7.328 1.00 0.00 C ATOM 949 CZ3 TRP A 62 -8.011 15.559 -9.268 1.00 0.00 C ATOM 950 CH2 TRP A 62 -8.496 16.601 -8.469 1.00 0.00 C ATOM 0 H TRP A 62 -10.635 9.476 -6.789 1.00 0.00 H new ATOM 0 HA TRP A 62 -10.833 11.555 -8.837 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -8.917 10.709 -6.723 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -8.189 11.336 -8.189 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -10.506 12.432 -5.302 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -10.558 15.016 -5.175 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -7.859 13.440 -9.554 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -9.581 17.159 -6.714 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -7.452 15.791 -10.162 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -8.304 17.623 -8.760 1.00 0.00 H new ATOM 961 N TRP A 63 -9.874 8.591 -9.464 1.00 0.00 N ATOM 962 CA TRP A 63 -9.397 7.667 -10.485 1.00 0.00 C ATOM 963 C TRP A 63 -10.449 6.606 -10.780 1.00 0.00 C ATOM 964 O TRP A 63 -11.253 6.266 -9.916 1.00 0.00 O ATOM 965 CB TRP A 63 -8.100 6.981 -10.045 1.00 0.00 C ATOM 966 CG TRP A 63 -6.977 7.931 -9.778 1.00 0.00 C ATOM 967 CD1 TRP A 63 -6.323 8.142 -8.597 1.00 0.00 C ATOM 968 CD2 TRP A 63 -6.374 8.799 -10.730 1.00 0.00 C ATOM 969 NE1 TRP A 63 -5.344 9.094 -8.767 1.00 0.00 N ATOM 970 CE2 TRP A 63 -5.358 9.513 -10.073 1.00 0.00 C ATOM 971 CE3 TRP A 63 -6.602 9.034 -12.078 1.00 0.00 C ATOM 972 CZ2 TRP A 63 -4.569 10.454 -10.732 1.00 0.00 C ATOM 973 CZ3 TRP A 63 -5.830 9.962 -12.733 1.00 0.00 C ATOM 974 CH2 TRP A 63 -4.820 10.667 -12.064 1.00 0.00 C ATOM 0 H TRP A 63 -10.363 8.143 -8.689 1.00 0.00 H new ATOM 0 HA TRP A 63 -9.202 8.247 -11.387 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -8.295 6.400 -9.143 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -7.792 6.277 -10.818 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -6.542 7.637 -7.668 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -4.712 9.432 -8.041 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -7.375 8.495 -12.605 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -3.790 10.995 -10.214 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -6.004 10.152 -13.782 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -4.229 11.390 -12.606 1.00 0.00 H new ATOM 985 N CYS A 64 -10.395 6.063 -11.993 1.00 0.00 N ATOM 986 CA CYS A 64 -11.302 5.002 -12.441 1.00 0.00 C ATOM 987 C CYS A 64 -12.768 5.260 -12.104 1.00 0.00 C ATOM 988 O CYS A 64 -13.104 6.031 -11.208 1.00 0.00 O ATOM 989 CB CYS A 64 -10.868 3.658 -11.845 1.00 0.00 C ATOM 990 SG CYS A 64 -11.442 3.366 -10.136 1.00 0.00 S ATOM 0 H CYS A 64 -9.717 6.347 -12.700 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.232 4.983 -13.529 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -11.240 2.855 -12.482 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -9.780 3.601 -11.864 1.00 0.00 H new ATOM 995 N ASN A 65 -13.645 4.590 -12.845 1.00 0.00 N ATOM 996 CA ASN A 65 -15.082 4.724 -12.638 1.00 0.00 C ATOM 997 C ASN A 65 -15.610 3.564 -11.799 1.00 0.00 C ATOM 998 O ASN A 65 -15.747 2.442 -12.288 1.00 0.00 O ATOM 999 CB ASN A 65 -15.812 4.773 -13.982 1.00 0.00 C ATOM 1000 CG ASN A 65 -17.236 5.277 -13.849 1.00 0.00 C ATOM 1001 OD1 ASN A 65 -18.173 4.493 -13.704 1.00 0.00 O ATOM 1002 ND2 ASN A 65 -17.403 6.593 -13.899 1.00 0.00 N ATOM 0 H ASN A 65 -13.385 3.949 -13.594 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.267 5.656 -12.103 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.263 5.419 -14.667 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -15.822 3.776 -14.423 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -18.338 6.992 -13.816 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -16.596 7.205 -14.021 1.00 0.00 H new ATOM 1009 N ASP A 66 -15.896 3.842 -10.530 1.00 0.00 N ATOM 1010 CA ASP A 66 -16.400 2.820 -9.618 1.00 0.00 C ATOM 1011 C ASP A 66 -17.925 2.766 -9.635 1.00 0.00 C ATOM 1012 O ASP A 66 -18.522 1.737 -9.317 1.00 0.00 O ATOM 1013 CB ASP A 66 -15.906 3.089 -8.196 1.00 0.00 C ATOM 1014 CG ASP A 66 -16.550 4.316 -7.579 1.00 0.00 C ATOM 1015 OD1 ASP A 66 -16.834 5.277 -8.326 1.00 0.00 O ATOM 1016 OD2 ASP A 66 -16.772 4.316 -6.350 1.00 0.00 O ATOM 0 H ASP A 66 -15.787 4.765 -10.110 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.020 1.855 -9.955 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -16.115 2.220 -7.572 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -14.824 3.219 -8.209 1.00 0.00 H new ATOM 1021 N GLY A 67 -18.550 3.879 -10.003 1.00 0.00 N ATOM 1022 CA GLY A 67 -19.999 3.934 -10.049 1.00 0.00 C ATOM 1023 C GLY A 67 -20.612 4.168 -8.682 1.00 0.00 C ATOM 1024 O GLY A 67 -21.771 4.570 -8.574 1.00 0.00 O ATOM 0 H GLY A 67 -18.079 4.744 -10.270 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -20.308 4.732 -10.724 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -20.382 3.001 -10.461 1.00 0.00 H new ATOM 1028 N ARG A 68 -19.829 3.924 -7.634 1.00 0.00 N ATOM 1029 CA ARG A 68 -20.296 4.116 -6.267 1.00 0.00 C ATOM 1030 C ARG A 68 -20.172 5.581 -5.863 1.00 0.00 C ATOM 1031 O ARG A 68 -20.517 5.961 -4.743 1.00 0.00 O ATOM 1032 CB ARG A 68 -19.498 3.237 -5.302 1.00 0.00 C ATOM 1033 CG ARG A 68 -20.366 2.475 -4.314 1.00 0.00 C ATOM 1034 CD ARG A 68 -19.610 2.164 -3.032 1.00 0.00 C ATOM 1035 NE ARG A 68 -18.458 1.298 -3.273 1.00 0.00 N ATOM 1036 CZ ARG A 68 -18.494 -0.026 -3.158 1.00 0.00 C ATOM 1037 NH1 ARG A 68 -19.620 -0.635 -2.807 1.00 0.00 N ATOM 1038 NH2 ARG A 68 -17.404 -0.743 -3.394 1.00 0.00 N ATOM 0 H ARG A 68 -18.867 3.593 -7.707 1.00 0.00 H new ATOM 0 HA ARG A 68 -21.346 3.827 -6.219 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -18.906 2.525 -5.877 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -18.796 3.862 -4.750 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -21.254 3.062 -4.080 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -20.709 1.546 -4.770 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -19.275 3.094 -2.574 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -20.283 1.683 -2.322 1.00 0.00 H new ATOM 0 HE ARG A 68 -17.577 1.734 -3.545 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -20.461 -0.087 -2.625 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -19.644 -1.651 -2.720 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -16.537 -0.279 -3.664 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -17.433 -1.759 -3.305 1.00 0.00 H new ATOM 1052 N THR A 69 -19.681 6.396 -6.790 1.00 0.00 N ATOM 1053 CA THR A 69 -19.510 7.822 -6.551 1.00 0.00 C ATOM 1054 C THR A 69 -20.230 8.633 -7.624 1.00 0.00 C ATOM 1055 O THR A 69 -20.185 8.282 -8.803 1.00 0.00 O ATOM 1056 CB THR A 69 -18.018 8.210 -6.540 1.00 0.00 C ATOM 1057 OG1 THR A 69 -17.228 7.108 -6.080 1.00 0.00 O ATOM 1058 CG2 THR A 69 -17.774 9.417 -5.646 1.00 0.00 C ATOM 0 H THR A 69 -19.393 6.090 -7.719 1.00 0.00 H new ATOM 0 HA THR A 69 -19.940 8.045 -5.574 1.00 0.00 H new ATOM 0 HB THR A 69 -17.729 8.468 -7.559 1.00 0.00 H new ATOM 0 HG1 THR A 69 -16.662 6.784 -6.811 1.00 0.00 H new ATOM 0 HG21 THR A 69 -16.714 9.669 -5.657 1.00 0.00 H new ATOM 0 HG22 THR A 69 -18.352 10.265 -6.013 1.00 0.00 H new ATOM 0 HG23 THR A 69 -18.081 9.183 -4.627 1.00 0.00 H new ATOM 1066 N PRO A 70 -20.912 9.726 -7.234 1.00 0.00 N ATOM 1067 CA PRO A 70 -21.648 10.579 -8.175 1.00 0.00 C ATOM 1068 C PRO A 70 -20.776 11.061 -9.330 1.00 0.00 C ATOM 1069 O PRO A 70 -20.200 12.149 -9.278 1.00 0.00 O ATOM 1070 CB PRO A 70 -22.108 11.768 -7.316 1.00 0.00 C ATOM 1071 CG PRO A 70 -21.325 11.674 -6.049 1.00 0.00 C ATOM 1072 CD PRO A 70 -21.028 10.217 -5.854 1.00 0.00 C ATOM 0 HA PRO A 70 -22.470 10.039 -8.645 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -21.920 12.714 -7.824 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -23.179 11.719 -7.120 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -20.405 12.254 -6.115 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -21.893 12.072 -5.209 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -20.108 10.063 -5.290 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -21.825 9.710 -5.309 1.00 0.00 H new ATOM 1080 N GLY A 71 -20.688 10.244 -10.377 1.00 0.00 N ATOM 1081 CA GLY A 71 -19.891 10.599 -11.536 1.00 0.00 C ATOM 1082 C GLY A 71 -18.410 10.328 -11.343 1.00 0.00 C ATOM 1083 O GLY A 71 -17.671 10.183 -12.317 1.00 0.00 O ATOM 0 H GLY A 71 -21.156 9.340 -10.442 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -20.248 10.039 -12.401 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -20.035 11.656 -11.759 1.00 0.00 H new ATOM 1087 N SER A 72 -17.976 10.266 -10.086 1.00 0.00 N ATOM 1088 CA SER A 72 -16.570 10.019 -9.776 1.00 0.00 C ATOM 1089 C SER A 72 -15.683 11.008 -10.533 1.00 0.00 C ATOM 1090 O SER A 72 -15.706 12.207 -10.254 1.00 0.00 O ATOM 1091 CB SER A 72 -16.192 8.579 -10.129 1.00 0.00 C ATOM 1092 OG SER A 72 -16.040 7.791 -8.961 1.00 0.00 O ATOM 0 H SER A 72 -18.575 10.383 -9.269 1.00 0.00 H new ATOM 0 HA SER A 72 -16.416 10.162 -8.706 1.00 0.00 H new ATOM 0 HB2 SER A 72 -16.961 8.144 -10.768 1.00 0.00 H new ATOM 0 HB3 SER A 72 -15.263 8.573 -10.699 1.00 0.00 H new ATOM 0 HG SER A 72 -15.117 7.467 -8.903 1.00 0.00 H new ATOM 1098 N ARG A 73 -14.909 10.508 -11.495 1.00 0.00 N ATOM 1099 CA ARG A 73 -14.031 11.357 -12.291 1.00 0.00 C ATOM 1100 C ARG A 73 -13.706 10.678 -13.618 1.00 0.00 C ATOM 1101 O ARG A 73 -13.920 11.250 -14.687 1.00 0.00 O ATOM 1102 CB ARG A 73 -12.741 11.660 -11.527 1.00 0.00 C ATOM 1103 CG ARG A 73 -12.631 13.104 -11.067 1.00 0.00 C ATOM 1104 CD ARG A 73 -11.971 13.976 -12.123 1.00 0.00 C ATOM 1105 NE ARG A 73 -12.062 15.396 -11.797 1.00 0.00 N ATOM 1106 CZ ARG A 73 -13.137 16.142 -12.041 1.00 0.00 C ATOM 1107 NH1 ARG A 73 -14.206 15.603 -12.612 1.00 0.00 N ATOM 1108 NH2 ARG A 73 -13.141 17.427 -11.714 1.00 0.00 N ATOM 0 H ARG A 73 -14.874 9.519 -11.740 1.00 0.00 H new ATOM 0 HA ARG A 73 -14.546 12.297 -12.490 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.681 11.005 -10.658 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -11.888 11.424 -12.163 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -13.624 13.492 -10.842 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -12.054 13.150 -10.143 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -10.923 13.694 -12.222 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -12.443 13.795 -13.089 1.00 0.00 H new ATOM 0 HE ARG A 73 -11.257 15.842 -11.358 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -14.205 14.615 -12.865 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -15.029 16.177 -12.798 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -12.320 17.844 -11.275 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -13.965 17.998 -11.901 1.00 0.00 H new ATOM 1122 N ASN A 74 -13.179 9.457 -13.529 1.00 0.00 N ATOM 1123 CA ASN A 74 -12.808 8.677 -14.709 1.00 0.00 C ATOM 1124 C ASN A 74 -11.569 9.269 -15.362 1.00 0.00 C ATOM 1125 O ASN A 74 -11.443 9.302 -16.586 1.00 0.00 O ATOM 1126 CB ASN A 74 -13.964 8.619 -15.713 1.00 0.00 C ATOM 1127 CG ASN A 74 -13.960 7.339 -16.527 1.00 0.00 C ATOM 1128 OD1 ASN A 74 -13.529 6.289 -16.052 1.00 0.00 O ATOM 1129 ND2 ASN A 74 -14.443 7.422 -17.761 1.00 0.00 N ATOM 0 H ASN A 74 -12.998 8.984 -12.644 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.586 7.659 -14.389 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.910 8.703 -15.179 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.900 9.474 -16.386 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -14.467 6.594 -18.356 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -14.790 8.314 -18.114 1.00 0.00 H new ATOM 1136 N LEU A 75 -10.649 9.709 -14.518 1.00 0.00 N ATOM 1137 CA LEU A 75 -9.396 10.275 -14.948 1.00 0.00 C ATOM 1138 C LEU A 75 -8.513 9.197 -15.512 1.00 0.00 C ATOM 1139 O LEU A 75 -7.975 9.289 -16.615 1.00 0.00 O ATOM 1140 CB LEU A 75 -8.720 10.855 -13.726 1.00 0.00 C ATOM 1141 CG LEU A 75 -8.961 12.342 -13.474 1.00 0.00 C ATOM 1142 CD1 LEU A 75 -8.186 12.810 -12.251 1.00 0.00 C ATOM 1143 CD2 LEU A 75 -8.580 13.166 -14.696 1.00 0.00 C ATOM 0 H LEU A 75 -10.760 9.679 -13.505 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.568 11.033 -15.712 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -9.055 10.299 -12.851 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.646 10.691 -13.816 1.00 0.00 H new ATOM 0 HG LEU A 75 -10.025 12.487 -13.284 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.370 13.872 -12.088 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.511 12.246 -11.377 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -7.120 12.647 -12.411 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.760 14.222 -14.493 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.525 13.015 -14.922 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -9.182 12.852 -15.549 1.00 0.00 H new ATOM 1155 N CYS A 76 -8.395 8.175 -14.705 1.00 0.00 N ATOM 1156 CA CYS A 76 -7.608 7.019 -15.018 1.00 0.00 C ATOM 1157 C CYS A 76 -8.310 6.191 -16.085 1.00 0.00 C ATOM 1158 O CYS A 76 -7.670 5.572 -16.935 1.00 0.00 O ATOM 1159 CB CYS A 76 -7.434 6.227 -13.743 1.00 0.00 C ATOM 1160 SG CYS A 76 -5.755 5.577 -13.478 1.00 0.00 S ATOM 0 H CYS A 76 -8.854 8.126 -13.795 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.632 7.304 -15.412 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -7.702 6.861 -12.898 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -8.135 5.393 -13.750 1.00 0.00 H new ATOM 1165 N ASN A 77 -9.641 6.187 -16.019 1.00 0.00 N ATOM 1166 CA ASN A 77 -10.459 5.436 -16.965 1.00 0.00 C ATOM 1167 C ASN A 77 -10.079 3.966 -16.910 1.00 0.00 C ATOM 1168 O ASN A 77 -9.785 3.345 -17.932 1.00 0.00 O ATOM 1169 CB ASN A 77 -10.279 5.979 -18.384 1.00 0.00 C ATOM 1170 CG ASN A 77 -11.333 5.459 -19.342 1.00 0.00 C ATOM 1171 OD1 ASN A 77 -12.594 5.528 -18.928 1.00 0.00 O flip ATOM 1172 ND2 ASN A 77 -11.019 5.000 -20.440 1.00 0.00 N flip ATOM 0 H ASN A 77 -10.175 6.698 -15.317 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.508 5.547 -16.691 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -10.319 7.068 -18.361 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -9.291 5.704 -18.752 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -10.038 4.966 -20.717 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -11.740 4.653 -21.073 1.00 0.00 H new ATOM 1179 N ILE A 78 -10.065 3.425 -15.699 1.00 0.00 N ATOM 1180 CA ILE A 78 -9.694 2.037 -15.491 1.00 0.00 C ATOM 1181 C ILE A 78 -10.746 1.285 -14.682 1.00 0.00 C ATOM 1182 O ILE A 78 -11.566 1.897 -14.000 1.00 0.00 O ATOM 1183 CB ILE A 78 -8.333 1.937 -14.770 1.00 0.00 C ATOM 1184 CG1 ILE A 78 -8.528 1.617 -13.277 1.00 0.00 C ATOM 1185 CG2 ILE A 78 -7.564 3.233 -14.955 1.00 0.00 C ATOM 1186 CD1 ILE A 78 -7.497 2.246 -12.362 1.00 0.00 C ATOM 0 H ILE A 78 -10.307 3.930 -14.846 1.00 0.00 H new ATOM 0 HA ILE A 78 -9.621 1.577 -16.477 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.757 1.122 -15.207 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.519 1.953 -12.972 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -8.503 0.536 -13.143 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.603 3.162 -14.446 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -7.399 3.410 -16.018 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -8.137 4.059 -14.535 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.710 1.969 -11.329 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.503 1.891 -12.636 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.535 3.331 -12.462 1.00 0.00 H new ATOM 1198 N PRO A 79 -10.723 -0.058 -14.717 1.00 0.00 N ATOM 1199 CA PRO A 79 -11.651 -0.875 -13.952 1.00 0.00 C ATOM 1200 C PRO A 79 -11.178 -0.974 -12.506 1.00 0.00 C ATOM 1201 O PRO A 79 -10.150 -1.591 -12.224 1.00 0.00 O ATOM 1202 CB PRO A 79 -11.598 -2.249 -14.640 1.00 0.00 C ATOM 1203 CG PRO A 79 -10.598 -2.123 -15.753 1.00 0.00 C ATOM 1204 CD PRO A 79 -9.783 -0.892 -15.470 1.00 0.00 C ATOM 0 HA PRO A 79 -12.662 -0.467 -13.926 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -11.300 -3.026 -13.936 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -12.578 -2.528 -15.027 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -9.960 -3.006 -15.801 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -11.101 -2.040 -16.717 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -8.889 -1.121 -14.890 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -9.452 -0.404 -16.387 1.00 0.00 H new ATOM 1212 N CYS A 80 -11.909 -0.340 -11.598 1.00 0.00 N ATOM 1213 CA CYS A 80 -11.538 -0.335 -10.188 1.00 0.00 C ATOM 1214 C CYS A 80 -11.546 -1.742 -9.591 1.00 0.00 C ATOM 1215 O CYS A 80 -10.515 -2.231 -9.135 1.00 0.00 O ATOM 1216 CB CYS A 80 -12.474 0.589 -9.408 1.00 0.00 C ATOM 1217 SG CYS A 80 -12.994 2.069 -10.343 1.00 0.00 S ATOM 0 H CYS A 80 -12.762 0.177 -11.812 1.00 0.00 H new ATOM 0 HA CYS A 80 -10.517 0.039 -10.110 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -13.360 0.028 -9.112 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -11.976 0.906 -8.491 1.00 0.00 H new ATOM 1222 N SER A 81 -12.713 -2.381 -9.579 1.00 0.00 N ATOM 1223 CA SER A 81 -12.847 -3.727 -9.019 1.00 0.00 C ATOM 1224 C SER A 81 -11.804 -4.691 -9.590 1.00 0.00 C ATOM 1225 O SER A 81 -11.443 -5.676 -8.945 1.00 0.00 O ATOM 1226 CB SER A 81 -14.252 -4.269 -9.286 1.00 0.00 C ATOM 1227 OG SER A 81 -14.411 -4.626 -10.649 1.00 0.00 O ATOM 0 H SER A 81 -13.579 -1.991 -9.950 1.00 0.00 H new ATOM 0 HA SER A 81 -12.679 -3.652 -7.945 1.00 0.00 H new ATOM 0 HB2 SER A 81 -14.435 -5.139 -8.655 1.00 0.00 H new ATOM 0 HB3 SER A 81 -14.993 -3.517 -9.015 1.00 0.00 H new ATOM 0 HG SER A 81 -15.317 -4.971 -10.793 1.00 0.00 H new ATOM 1233 N ALA A 82 -11.328 -4.408 -10.799 1.00 0.00 N ATOM 1234 CA ALA A 82 -10.333 -5.261 -11.450 1.00 0.00 C ATOM 1235 C ALA A 82 -8.994 -5.228 -10.716 1.00 0.00 C ATOM 1236 O ALA A 82 -8.054 -5.929 -11.092 1.00 0.00 O ATOM 1237 CB ALA A 82 -10.149 -4.842 -12.899 1.00 0.00 C ATOM 0 H ALA A 82 -11.613 -3.597 -11.348 1.00 0.00 H new ATOM 0 HA ALA A 82 -10.703 -6.286 -11.417 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -9.406 -5.484 -13.372 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -11.098 -4.934 -13.428 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.811 -3.807 -12.938 1.00 0.00 H new ATOM 1243 N LEU A 83 -8.913 -4.410 -9.673 1.00 0.00 N ATOM 1244 CA LEU A 83 -7.685 -4.287 -8.892 1.00 0.00 C ATOM 1245 C LEU A 83 -7.867 -4.839 -7.484 1.00 0.00 C ATOM 1246 O LEU A 83 -6.894 -5.043 -6.758 1.00 0.00 O ATOM 1247 CB LEU A 83 -7.237 -2.822 -8.826 1.00 0.00 C ATOM 1248 CG LEU A 83 -7.860 -1.992 -7.701 1.00 0.00 C ATOM 1249 CD1 LEU A 83 -6.932 -1.937 -6.497 1.00 0.00 C ATOM 1250 CD2 LEU A 83 -8.180 -0.588 -8.191 1.00 0.00 C ATOM 0 H LEU A 83 -9.681 -3.822 -9.348 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.914 -4.874 -9.391 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.153 -2.797 -8.715 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -7.471 -2.345 -9.778 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.789 -2.472 -7.395 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.394 -1.342 -5.709 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.751 -2.947 -6.131 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -5.985 -1.482 -6.788 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.622 -0.011 -7.379 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -7.263 -0.101 -8.525 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -8.884 -0.644 -9.021 1.00 0.00 H new ATOM 1262 N LEU A 84 -9.116 -5.059 -7.091 1.00 0.00 N ATOM 1263 CA LEU A 84 -9.419 -5.565 -5.759 1.00 0.00 C ATOM 1264 C LEU A 84 -9.677 -7.068 -5.778 1.00 0.00 C ATOM 1265 O LEU A 84 -10.545 -7.571 -5.064 1.00 0.00 O ATOM 1266 CB LEU A 84 -10.630 -4.823 -5.201 1.00 0.00 C ATOM 1267 CG LEU A 84 -10.774 -3.391 -5.714 1.00 0.00 C ATOM 1268 CD1 LEU A 84 -12.223 -2.938 -5.652 1.00 0.00 C ATOM 1269 CD2 LEU A 84 -9.880 -2.449 -4.922 1.00 0.00 C ATOM 0 H LEU A 84 -9.935 -4.895 -7.676 1.00 0.00 H new ATOM 0 HA LEU A 84 -8.555 -5.391 -5.117 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -11.532 -5.380 -5.453 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.561 -4.803 -4.113 1.00 0.00 H new ATOM 0 HG LEU A 84 -10.458 -3.368 -6.757 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -12.301 -1.916 -6.022 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -12.836 -3.595 -6.269 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -12.573 -2.978 -4.620 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -9.995 -1.433 -5.301 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -10.163 -2.478 -3.870 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.840 -2.760 -5.027 1.00 0.00 H new ATOM 1281 N SER A 85 -8.906 -7.780 -6.591 1.00 0.00 N ATOM 1282 CA SER A 85 -9.037 -9.231 -6.692 1.00 0.00 C ATOM 1283 C SER A 85 -7.686 -9.902 -6.521 1.00 0.00 C ATOM 1284 O SER A 85 -7.358 -10.874 -7.204 1.00 0.00 O ATOM 1285 CB SER A 85 -9.670 -9.628 -8.028 1.00 0.00 C ATOM 1286 OG SER A 85 -8.824 -9.291 -9.114 1.00 0.00 O ATOM 0 H SER A 85 -8.184 -7.378 -7.190 1.00 0.00 H new ATOM 0 HA SER A 85 -9.694 -9.570 -5.891 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.868 -10.700 -8.036 1.00 0.00 H new ATOM 0 HB3 SER A 85 -10.631 -9.126 -8.142 1.00 0.00 H new ATOM 0 HG SER A 85 -9.250 -9.556 -9.955 1.00 0.00 H new ATOM 1292 N SER A 86 -6.909 -9.344 -5.610 1.00 0.00 N ATOM 1293 CA SER A 86 -5.565 -9.831 -5.313 1.00 0.00 C ATOM 1294 C SER A 86 -4.693 -9.570 -6.518 1.00 0.00 C ATOM 1295 O SER A 86 -3.702 -10.258 -6.767 1.00 0.00 O ATOM 1296 CB SER A 86 -5.581 -11.323 -4.972 1.00 0.00 C ATOM 1297 OG SER A 86 -5.415 -11.531 -3.580 1.00 0.00 O ATOM 0 H SER A 86 -7.189 -8.538 -5.051 1.00 0.00 H new ATOM 0 HA SER A 86 -5.170 -9.307 -4.443 1.00 0.00 H new ATOM 0 HB2 SER A 86 -6.523 -11.764 -5.299 1.00 0.00 H new ATOM 0 HB3 SER A 86 -4.785 -11.832 -5.516 1.00 0.00 H new ATOM 0 HG SER A 86 -4.710 -12.195 -3.430 1.00 0.00 H new ATOM 1303 N ASP A 87 -5.118 -8.578 -7.279 1.00 0.00 N ATOM 1304 CA ASP A 87 -4.456 -8.188 -8.501 1.00 0.00 C ATOM 1305 C ASP A 87 -4.069 -6.716 -8.463 1.00 0.00 C ATOM 1306 O ASP A 87 -4.936 -5.843 -8.432 1.00 0.00 O ATOM 1307 CB ASP A 87 -5.422 -8.444 -9.646 1.00 0.00 C ATOM 1308 CG ASP A 87 -4.755 -8.389 -11.006 1.00 0.00 C ATOM 1309 OD1 ASP A 87 -3.735 -9.084 -11.195 1.00 0.00 O ATOM 1310 OD2 ASP A 87 -5.253 -7.652 -11.882 1.00 0.00 O ATOM 0 H ASP A 87 -5.941 -8.017 -7.060 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.540 -8.764 -8.630 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.884 -9.422 -9.513 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.223 -7.706 -9.610 1.00 0.00 H new ATOM 1315 N ILE A 88 -2.770 -6.437 -8.472 1.00 0.00 N ATOM 1316 CA ILE A 88 -2.300 -5.061 -8.444 1.00 0.00 C ATOM 1317 C ILE A 88 -2.212 -4.485 -9.848 1.00 0.00 C ATOM 1318 O ILE A 88 -1.926 -3.305 -10.017 1.00 0.00 O ATOM 1319 CB ILE A 88 -0.923 -4.926 -7.765 1.00 0.00 C ATOM 1320 CG1 ILE A 88 -0.049 -6.145 -8.058 1.00 0.00 C ATOM 1321 CG2 ILE A 88 -1.092 -4.732 -6.268 1.00 0.00 C ATOM 1322 CD1 ILE A 88 1.434 -5.839 -8.041 1.00 0.00 C ATOM 0 H ILE A 88 -2.031 -7.140 -8.498 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.031 -4.503 -7.859 1.00 0.00 H new ATOM 0 HB ILE A 88 -0.422 -4.049 -8.174 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.261 -6.920 -7.322 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -0.318 -6.550 -9.034 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.112 -4.638 -5.800 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.671 -3.828 -6.081 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.614 -5.591 -5.846 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.996 -6.748 -8.256 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.659 -5.086 -8.796 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.717 -5.462 -7.058 1.00 0.00 H new ATOM 1334 N THR A 89 -2.443 -5.323 -10.853 1.00 0.00 N ATOM 1335 CA THR A 89 -2.377 -4.885 -12.243 1.00 0.00 C ATOM 1336 C THR A 89 -3.155 -3.591 -12.461 1.00 0.00 C ATOM 1337 O THR A 89 -2.595 -2.594 -12.912 1.00 0.00 O ATOM 1338 CB THR A 89 -2.924 -5.963 -13.197 1.00 0.00 C ATOM 1339 OG1 THR A 89 -2.444 -7.255 -12.805 1.00 0.00 O ATOM 1340 CG2 THR A 89 -2.508 -5.678 -14.632 1.00 0.00 C ATOM 0 H THR A 89 -2.677 -6.308 -10.732 1.00 0.00 H new ATOM 0 HA THR A 89 -1.324 -4.709 -12.463 1.00 0.00 H new ATOM 0 HB THR A 89 -4.012 -5.947 -13.140 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.798 -7.935 -13.416 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.906 -6.453 -15.287 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.899 -4.708 -14.938 1.00 0.00 H new ATOM 0 HG23 THR A 89 -1.420 -5.669 -14.700 1.00 0.00 H new ATOM 1348 N ALA A 90 -4.449 -3.615 -12.151 1.00 0.00 N ATOM 1349 CA ALA A 90 -5.297 -2.452 -12.326 1.00 0.00 C ATOM 1350 C ALA A 90 -4.861 -1.289 -11.434 1.00 0.00 C ATOM 1351 O ALA A 90 -4.782 -0.147 -11.887 1.00 0.00 O ATOM 1352 CB ALA A 90 -6.749 -2.814 -12.061 1.00 0.00 C ATOM 0 H ALA A 90 -4.929 -4.433 -11.776 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.196 -2.123 -13.360 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.374 -1.932 -12.196 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -7.063 -3.591 -12.757 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.852 -3.179 -11.039 1.00 0.00 H new ATOM 1358 N SER A 91 -4.572 -1.585 -10.169 1.00 0.00 N ATOM 1359 CA SER A 91 -4.135 -0.561 -9.221 1.00 0.00 C ATOM 1360 C SER A 91 -2.827 0.072 -9.665 1.00 0.00 C ATOM 1361 O SER A 91 -2.591 1.263 -9.452 1.00 0.00 O ATOM 1362 CB SER A 91 -3.968 -1.168 -7.826 1.00 0.00 C ATOM 1363 OG SER A 91 -4.018 -2.583 -7.875 1.00 0.00 O ATOM 0 H SER A 91 -4.632 -2.524 -9.776 1.00 0.00 H new ATOM 0 HA SER A 91 -4.900 0.215 -9.188 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.017 -0.849 -7.399 1.00 0.00 H new ATOM 0 HB3 SER A 91 -4.753 -0.796 -7.168 1.00 0.00 H new ATOM 0 HG SER A 91 -4.227 -2.934 -6.984 1.00 0.00 H new ATOM 1369 N VAL A 92 -1.985 -0.731 -10.291 1.00 0.00 N ATOM 1370 CA VAL A 92 -0.708 -0.234 -10.760 1.00 0.00 C ATOM 1371 C VAL A 92 -0.884 0.581 -12.019 1.00 0.00 C ATOM 1372 O VAL A 92 -0.349 1.669 -12.119 1.00 0.00 O ATOM 1373 CB VAL A 92 0.328 -1.338 -11.027 1.00 0.00 C ATOM 1374 CG1 VAL A 92 1.534 -0.751 -11.759 1.00 0.00 C ATOM 1375 CG2 VAL A 92 0.755 -2.001 -9.725 1.00 0.00 C ATOM 0 H VAL A 92 -2.161 -1.717 -10.484 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.323 0.385 -9.949 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.126 -2.102 -11.658 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.265 -1.538 -11.945 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.211 -0.324 -12.708 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.988 0.028 -11.146 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.488 -2.779 -9.936 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.198 -1.255 -9.065 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.115 -2.444 -9.240 1.00 0.00 H new ATOM 1385 N ASN A 93 -1.635 0.060 -12.979 1.00 0.00 N ATOM 1386 CA ASN A 93 -1.861 0.768 -14.210 1.00 0.00 C ATOM 1387 C ASN A 93 -2.224 2.216 -13.927 1.00 0.00 C ATOM 1388 O ASN A 93 -1.742 3.139 -14.588 1.00 0.00 O ATOM 1389 CB ASN A 93 -2.946 0.074 -15.012 1.00 0.00 C ATOM 1390 CG ASN A 93 -4.112 0.980 -15.353 1.00 0.00 C ATOM 1391 OD1 ASN A 93 -5.214 0.823 -14.629 1.00 0.00 O flip ATOM 1392 ND2 ASN A 93 -4.025 1.812 -16.257 1.00 0.00 N flip ATOM 0 H ASN A 93 -2.093 -0.849 -12.920 1.00 0.00 H new ATOM 0 HA ASN A 93 -0.945 0.764 -14.801 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.514 -0.314 -15.935 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -3.314 -0.783 -14.447 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -3.159 1.899 -16.788 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.819 2.414 -16.474 1.00 0.00 H new ATOM 1399 N CYS A 94 -3.061 2.404 -12.916 1.00 0.00 N ATOM 1400 CA CYS A 94 -3.480 3.734 -12.519 1.00 0.00 C ATOM 1401 C CYS A 94 -2.294 4.530 -11.992 1.00 0.00 C ATOM 1402 O CYS A 94 -2.081 5.673 -12.395 1.00 0.00 O ATOM 1403 CB CYS A 94 -4.575 3.661 -11.457 1.00 0.00 C ATOM 1404 SG CYS A 94 -5.741 5.057 -11.516 1.00 0.00 S ATOM 0 H CYS A 94 -3.461 1.650 -12.358 1.00 0.00 H new ATOM 0 HA CYS A 94 -3.881 4.240 -13.397 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -5.129 2.730 -11.581 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -4.112 3.627 -10.471 1.00 0.00 H new ATOM 1409 N ALA A 95 -1.522 3.926 -11.087 1.00 0.00 N ATOM 1410 CA ALA A 95 -0.365 4.613 -10.520 1.00 0.00 C ATOM 1411 C ALA A 95 0.722 4.792 -11.565 1.00 0.00 C ATOM 1412 O ALA A 95 1.372 5.826 -11.613 1.00 0.00 O ATOM 1413 CB ALA A 95 0.174 3.890 -9.313 1.00 0.00 C ATOM 0 H ALA A 95 -1.674 2.980 -10.737 1.00 0.00 H new ATOM 0 HA ALA A 95 -0.698 5.598 -10.194 1.00 0.00 H new ATOM 0 HB1 ALA A 95 1.034 4.431 -8.919 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.600 3.832 -8.548 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.478 2.883 -9.598 1.00 0.00 H new ATOM 1419 N LYS A 96 0.901 3.790 -12.421 1.00 0.00 N ATOM 1420 CA LYS A 96 1.885 3.876 -13.483 1.00 0.00 C ATOM 1421 C LYS A 96 1.642 5.190 -14.210 1.00 0.00 C ATOM 1422 O LYS A 96 2.564 5.896 -14.622 1.00 0.00 O ATOM 1423 CB LYS A 96 1.739 2.698 -14.450 1.00 0.00 C ATOM 1424 CG LYS A 96 2.963 1.798 -14.501 1.00 0.00 C ATOM 1425 CD LYS A 96 2.791 0.682 -15.518 1.00 0.00 C ATOM 1426 CE LYS A 96 3.400 1.054 -16.861 1.00 0.00 C ATOM 1427 NZ LYS A 96 3.829 -0.148 -17.628 1.00 0.00 N ATOM 0 H LYS A 96 0.378 2.915 -12.396 1.00 0.00 H new ATOM 0 HA LYS A 96 2.895 3.838 -13.075 1.00 0.00 H new ATOM 0 HB2 LYS A 96 0.873 2.104 -14.158 1.00 0.00 H new ATOM 0 HB3 LYS A 96 1.539 3.082 -15.450 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.842 2.391 -14.755 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.142 1.369 -13.515 1.00 0.00 H new ATOM 0 HD2 LYS A 96 3.260 -0.228 -15.144 1.00 0.00 H new ATOM 0 HD3 LYS A 96 1.731 0.465 -15.646 1.00 0.00 H new ATOM 0 HE2 LYS A 96 2.673 1.617 -17.446 1.00 0.00 H new ATOM 0 HE3 LYS A 96 4.257 1.708 -16.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 4.239 0.148 -18.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 4.542 -0.672 -17.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 3.007 -0.760 -17.802 1.00 0.00 H new ATOM 1441 N LYS A 97 0.355 5.511 -14.296 1.00 0.00 N ATOM 1442 CA LYS A 97 -0.102 6.748 -14.905 1.00 0.00 C ATOM 1443 C LYS A 97 0.048 7.892 -13.912 1.00 0.00 C ATOM 1444 O LYS A 97 0.338 9.027 -14.292 1.00 0.00 O ATOM 1445 CB LYS A 97 -1.559 6.622 -15.355 1.00 0.00 C ATOM 1446 CG LYS A 97 -1.824 7.209 -16.732 1.00 0.00 C ATOM 1447 CD LYS A 97 -2.926 8.255 -16.689 1.00 0.00 C ATOM 1448 CE LYS A 97 -3.160 8.875 -18.057 1.00 0.00 C ATOM 1449 NZ LYS A 97 -3.572 7.858 -19.063 1.00 0.00 N ATOM 0 H LYS A 97 -0.398 4.919 -13.945 1.00 0.00 H new ATOM 0 HA LYS A 97 0.508 6.954 -15.785 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.840 5.569 -15.358 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -2.200 7.120 -14.627 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.909 7.658 -17.119 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.104 6.412 -17.421 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.849 7.798 -16.333 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.661 9.035 -15.975 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.930 9.643 -17.981 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.248 9.369 -18.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.916 8.337 -19.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -2.757 7.259 -19.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -4.331 7.267 -18.668 1.00 0.00 H new ATOM 1463 N ILE A 98 -0.131 7.577 -12.628 1.00 0.00 N ATOM 1464 CA ILE A 98 0.004 8.573 -11.576 1.00 0.00 C ATOM 1465 C ILE A 98 1.425 9.132 -11.559 1.00 0.00 C ATOM 1466 O ILE A 98 1.632 10.346 -11.569 1.00 0.00 O ATOM 1467 CB ILE A 98 -0.343 7.997 -10.187 1.00 0.00 C ATOM 1468 CG1 ILE A 98 -1.839 7.672 -10.109 1.00 0.00 C ATOM 1469 CG2 ILE A 98 0.042 8.983 -9.093 1.00 0.00 C ATOM 1470 CD1 ILE A 98 -2.241 6.956 -8.837 1.00 0.00 C ATOM 0 H ILE A 98 -0.369 6.642 -12.297 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.704 9.372 -11.793 1.00 0.00 H new ATOM 0 HB ILE A 98 0.223 7.078 -10.039 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -2.408 8.598 -10.189 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -2.113 7.055 -10.965 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -0.209 8.562 -8.119 1.00 0.00 H new ATOM 0 HG22 ILE A 98 1.114 9.177 -9.139 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -0.503 9.916 -9.236 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -3.313 6.759 -8.853 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.700 6.012 -8.764 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.000 7.580 -7.976 1.00 0.00 H new ATOM 1482 N VAL A 99 2.394 8.224 -11.530 1.00 0.00 N ATOM 1483 CA VAL A 99 3.801 8.593 -11.507 1.00 0.00 C ATOM 1484 C VAL A 99 4.261 9.116 -12.864 1.00 0.00 C ATOM 1485 O VAL A 99 5.231 9.869 -12.950 1.00 0.00 O ATOM 1486 CB VAL A 99 4.685 7.411 -11.070 1.00 0.00 C ATOM 1487 CG1 VAL A 99 5.069 6.538 -12.256 1.00 0.00 C ATOM 1488 CG2 VAL A 99 5.922 7.918 -10.345 1.00 0.00 C ATOM 0 H VAL A 99 2.226 7.218 -11.522 1.00 0.00 H new ATOM 0 HA VAL A 99 3.909 9.393 -10.774 1.00 0.00 H new ATOM 0 HB VAL A 99 4.109 6.792 -10.382 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.693 5.713 -11.913 1.00 0.00 H new ATOM 0 HG12 VAL A 99 4.167 6.142 -12.723 1.00 0.00 H new ATOM 0 HG13 VAL A 99 5.622 7.134 -12.982 1.00 0.00 H new ATOM 0 HG21 VAL A 99 6.538 7.072 -10.041 1.00 0.00 H new ATOM 0 HG22 VAL A 99 6.495 8.564 -11.011 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.621 8.482 -9.463 1.00 0.00 H new ATOM 1498 N SER A 100 3.548 8.734 -13.922 1.00 0.00 N ATOM 1499 CA SER A 100 3.881 9.194 -15.265 1.00 0.00 C ATOM 1500 C SER A 100 3.233 10.549 -15.526 1.00 0.00 C ATOM 1501 O SER A 100 3.521 11.211 -16.524 1.00 0.00 O ATOM 1502 CB SER A 100 3.417 8.181 -16.313 1.00 0.00 C ATOM 1503 OG SER A 100 4.446 7.256 -16.621 1.00 0.00 O ATOM 0 H SER A 100 2.742 8.111 -13.874 1.00 0.00 H new ATOM 0 HA SER A 100 4.964 9.295 -15.338 1.00 0.00 H new ATOM 0 HB2 SER A 100 2.542 7.646 -15.944 1.00 0.00 H new ATOM 0 HB3 SER A 100 3.112 8.705 -17.219 1.00 0.00 H new ATOM 0 HG SER A 100 4.123 6.619 -17.292 1.00 0.00 H new ATOM 1509 N ASP A 101 2.355 10.952 -14.611 1.00 0.00 N ATOM 1510 CA ASP A 101 1.654 12.227 -14.722 1.00 0.00 C ATOM 1511 C ASP A 101 2.381 13.320 -13.943 1.00 0.00 C ATOM 1512 O ASP A 101 2.011 14.493 -14.012 1.00 0.00 O ATOM 1513 CB ASP A 101 0.219 12.091 -14.211 1.00 0.00 C ATOM 1514 CG ASP A 101 -0.685 13.195 -14.725 1.00 0.00 C ATOM 1515 OD1 ASP A 101 -0.862 13.291 -15.956 1.00 0.00 O ATOM 1516 OD2 ASP A 101 -1.214 13.962 -13.894 1.00 0.00 O ATOM 0 H ASP A 101 2.112 10.411 -13.781 1.00 0.00 H new ATOM 0 HA ASP A 101 1.633 12.509 -15.775 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -0.182 11.125 -14.516 1.00 0.00 H new ATOM 0 HB3 ASP A 101 0.221 12.105 -13.121 1.00 0.00 H new ATOM 1521 N GLY A 102 3.418 12.930 -13.207 1.00 0.00 N ATOM 1522 CA GLY A 102 4.181 13.893 -12.431 1.00 0.00 C ATOM 1523 C GLY A 102 4.054 13.677 -10.934 1.00 0.00 C ATOM 1524 O GLY A 102 4.623 14.431 -10.144 1.00 0.00 O ATOM 0 H GLY A 102 3.743 11.966 -13.134 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.232 13.830 -12.714 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.844 14.900 -12.678 1.00 0.00 H new ATOM 1528 N ASN A 103 3.309 12.648 -10.544 1.00 0.00 N ATOM 1529 CA ASN A 103 3.114 12.340 -9.130 1.00 0.00 C ATOM 1530 C ASN A 103 3.949 11.132 -8.715 1.00 0.00 C ATOM 1531 O ASN A 103 3.549 9.988 -8.924 1.00 0.00 O ATOM 1532 CB ASN A 103 1.635 12.076 -8.843 1.00 0.00 C ATOM 1533 CG ASN A 103 0.732 13.131 -9.451 1.00 0.00 C ATOM 1534 OD1 ASN A 103 -0.158 12.821 -10.244 1.00 0.00 O ATOM 1535 ND2 ASN A 103 0.955 14.387 -9.082 1.00 0.00 N ATOM 0 H ASN A 103 2.831 12.014 -11.184 1.00 0.00 H new ATOM 0 HA ASN A 103 3.441 13.202 -8.548 1.00 0.00 H new ATOM 0 HB2 ASN A 103 1.361 11.097 -9.235 1.00 0.00 H new ATOM 0 HB3 ASN A 103 1.477 12.043 -7.765 1.00 0.00 H new ATOM 0 HD21 ASN A 103 0.378 15.139 -9.458 1.00 0.00 H new ATOM 0 HD22 ASN A 103 1.703 14.600 -8.422 1.00 0.00 H new ATOM 1542 N GLY A 104 5.110 11.396 -8.122 1.00 0.00 N ATOM 1543 CA GLY A 104 5.982 10.322 -7.685 1.00 0.00 C ATOM 1544 C GLY A 104 5.456 9.609 -6.454 1.00 0.00 C ATOM 1545 O GLY A 104 4.248 9.452 -6.291 1.00 0.00 O ATOM 0 H GLY A 104 5.462 12.335 -7.937 1.00 0.00 H new ATOM 0 HA2 GLY A 104 6.100 9.602 -8.495 1.00 0.00 H new ATOM 0 HA3 GLY A 104 6.971 10.726 -7.471 1.00 0.00 H new ATOM 1549 N MET A 105 6.368 9.194 -5.580 1.00 0.00 N ATOM 1550 CA MET A 105 6.001 8.509 -4.350 1.00 0.00 C ATOM 1551 C MET A 105 5.494 9.521 -3.340 1.00 0.00 C ATOM 1552 O MET A 105 5.082 9.170 -2.234 1.00 0.00 O ATOM 1553 CB MET A 105 7.209 7.768 -3.773 1.00 0.00 C ATOM 1554 CG MET A 105 8.203 7.304 -4.826 1.00 0.00 C ATOM 1555 SD MET A 105 7.476 6.161 -6.015 1.00 0.00 S ATOM 1556 CE MET A 105 6.463 5.160 -4.933 1.00 0.00 C ATOM 0 H MET A 105 7.372 9.322 -5.704 1.00 0.00 H new ATOM 0 HA MET A 105 5.217 7.784 -4.569 1.00 0.00 H new ATOM 0 HB2 MET A 105 7.721 8.421 -3.066 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.858 6.902 -3.211 1.00 0.00 H new ATOM 0 HG2 MET A 105 8.596 8.172 -5.356 1.00 0.00 H new ATOM 0 HG3 MET A 105 9.048 6.821 -4.334 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.218 4.221 -5.430 1.00 0.00 H new ATOM 0 HE2 MET A 105 7.009 4.952 -4.013 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.544 5.696 -4.696 1.00 0.00 H new ATOM 1566 N ASN A 106 5.549 10.785 -3.734 1.00 0.00 N ATOM 1567 CA ASN A 106 5.122 11.880 -2.883 1.00 0.00 C ATOM 1568 C ASN A 106 3.601 11.952 -2.789 1.00 0.00 C ATOM 1569 O ASN A 106 3.056 12.303 -1.742 1.00 0.00 O ATOM 1570 CB ASN A 106 5.678 13.191 -3.434 1.00 0.00 C ATOM 1571 CG ASN A 106 6.984 12.995 -4.181 1.00 0.00 C ATOM 1572 OD1 ASN A 106 7.009 12.961 -5.411 1.00 0.00 O ATOM 1573 ND2 ASN A 106 8.077 12.865 -3.438 1.00 0.00 N ATOM 0 H ASN A 106 5.890 11.077 -4.650 1.00 0.00 H new ATOM 0 HA ASN A 106 5.506 11.708 -1.878 1.00 0.00 H new ATOM 0 HB2 ASN A 106 4.944 13.642 -4.102 1.00 0.00 H new ATOM 0 HB3 ASN A 106 5.833 13.891 -2.613 1.00 0.00 H new ATOM 0 HD21 ASN A 106 8.984 12.731 -3.884 1.00 0.00 H new ATOM 0 HD22 ASN A 106 8.009 12.900 -2.421 1.00 0.00 H new ATOM 1580 N ALA A 107 2.921 11.622 -3.886 1.00 0.00 N ATOM 1581 CA ALA A 107 1.462 11.653 -3.918 1.00 0.00 C ATOM 1582 C ALA A 107 0.880 10.921 -2.714 1.00 0.00 C ATOM 1583 O ALA A 107 0.002 11.437 -2.023 1.00 0.00 O ATOM 1584 CB ALA A 107 0.948 11.038 -5.212 1.00 0.00 C ATOM 0 H ALA A 107 3.357 11.331 -4.761 1.00 0.00 H new ATOM 0 HA ALA A 107 1.140 12.693 -3.874 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -0.142 11.068 -5.222 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.334 11.602 -6.061 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.283 10.003 -5.281 1.00 0.00 H new ATOM 1590 N TRP A 108 1.381 9.716 -2.475 1.00 0.00 N ATOM 1591 CA TRP A 108 0.918 8.905 -1.358 1.00 0.00 C ATOM 1592 C TRP A 108 1.554 9.391 -0.054 1.00 0.00 C ATOM 1593 O TRP A 108 2.772 9.553 0.036 1.00 0.00 O ATOM 1594 CB TRP A 108 1.233 7.431 -1.621 1.00 0.00 C ATOM 1595 CG TRP A 108 0.646 6.940 -2.914 1.00 0.00 C ATOM 1596 CD1 TRP A 108 -0.631 6.506 -3.122 1.00 0.00 C ATOM 1597 CD2 TRP A 108 1.310 6.849 -4.182 1.00 0.00 C ATOM 1598 NE1 TRP A 108 -0.802 6.148 -4.440 1.00 0.00 N ATOM 1599 CE2 TRP A 108 0.375 6.349 -5.111 1.00 0.00 C ATOM 1600 CE3 TRP A 108 2.604 7.141 -4.621 1.00 0.00 C ATOM 1601 CZ2 TRP A 108 0.696 6.137 -6.454 1.00 0.00 C ATOM 1602 CZ3 TRP A 108 2.919 6.929 -5.951 1.00 0.00 C ATOM 1603 CH2 TRP A 108 1.970 6.434 -6.853 1.00 0.00 C ATOM 0 H TRP A 108 2.109 9.279 -3.041 1.00 0.00 H new ATOM 0 HA TRP A 108 -0.163 9.007 -1.258 1.00 0.00 H new ATOM 0 HB2 TRP A 108 2.314 7.291 -1.640 1.00 0.00 H new ATOM 0 HB3 TRP A 108 0.848 6.828 -0.799 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -1.397 6.451 -2.362 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -1.665 5.791 -4.850 1.00 0.00 H new ATOM 0 HE3 TRP A 108 3.344 7.525 -3.935 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -0.034 5.753 -7.151 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 3.917 7.150 -6.300 1.00 0.00 H new ATOM 0 HH2 TRP A 108 2.250 6.284 -7.885 1.00 0.00 H new ATOM 1614 N VAL A 109 0.707 9.661 0.935 1.00 0.00 N ATOM 1615 CA VAL A 109 1.150 10.177 2.228 1.00 0.00 C ATOM 1616 C VAL A 109 1.858 9.137 3.089 1.00 0.00 C ATOM 1617 O VAL A 109 2.688 9.489 3.927 1.00 0.00 O ATOM 1618 CB VAL A 109 -0.018 10.739 3.034 1.00 0.00 C ATOM 1619 CG1 VAL A 109 0.384 12.027 3.737 1.00 0.00 C ATOM 1620 CG2 VAL A 109 -1.245 10.958 2.160 1.00 0.00 C ATOM 0 H VAL A 109 -0.302 9.529 0.864 1.00 0.00 H new ATOM 0 HA VAL A 109 1.863 10.964 1.983 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.283 10.002 3.792 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.463 12.411 4.306 1.00 0.00 H new ATOM 0 HG12 VAL A 109 1.215 11.828 4.414 1.00 0.00 H new ATOM 0 HG13 VAL A 109 0.688 12.766 2.996 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -2.057 11.359 2.767 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -1.004 11.663 1.365 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.554 10.009 1.722 1.00 0.00 H new ATOM 1630 N ALA A 110 1.540 7.867 2.893 1.00 0.00 N ATOM 1631 CA ALA A 110 2.169 6.808 3.676 1.00 0.00 C ATOM 1632 C ALA A 110 3.650 6.701 3.352 1.00 0.00 C ATOM 1633 O ALA A 110 4.431 6.155 4.131 1.00 0.00 O ATOM 1634 CB ALA A 110 1.472 5.480 3.432 1.00 0.00 C ATOM 0 H ALA A 110 0.858 7.544 2.207 1.00 0.00 H new ATOM 0 HA ALA A 110 2.071 7.062 4.731 1.00 0.00 H new ATOM 0 HB1 ALA A 110 1.954 4.702 4.024 1.00 0.00 H new ATOM 0 HB2 ALA A 110 0.424 5.560 3.722 1.00 0.00 H new ATOM 0 HB3 ALA A 110 1.537 5.224 2.374 1.00 0.00 H new ATOM 1640 N TRP A 111 4.030 7.238 2.202 1.00 0.00 N ATOM 1641 CA TRP A 111 5.422 7.214 1.785 1.00 0.00 C ATOM 1642 C TRP A 111 6.151 8.451 2.298 1.00 0.00 C ATOM 1643 O TRP A 111 7.315 8.373 2.685 1.00 0.00 O ATOM 1644 CB TRP A 111 5.543 7.108 0.261 1.00 0.00 C ATOM 1645 CG TRP A 111 6.965 7.076 -0.217 1.00 0.00 C ATOM 1646 CD1 TRP A 111 7.712 5.966 -0.491 1.00 0.00 C ATOM 1647 CD2 TRP A 111 7.812 8.202 -0.476 1.00 0.00 C ATOM 1648 NE1 TRP A 111 8.971 6.333 -0.901 1.00 0.00 N ATOM 1649 CE2 TRP A 111 9.057 7.701 -0.901 1.00 0.00 C ATOM 1650 CE3 TRP A 111 7.640 9.587 -0.389 1.00 0.00 C ATOM 1651 CZ2 TRP A 111 10.121 8.534 -1.238 1.00 0.00 C ATOM 1652 CZ3 TRP A 111 8.696 10.412 -0.724 1.00 0.00 C ATOM 1653 CH2 TRP A 111 9.923 9.883 -1.145 1.00 0.00 C ATOM 0 H TRP A 111 3.397 7.693 1.545 1.00 0.00 H new ATOM 0 HA TRP A 111 5.889 6.329 2.218 1.00 0.00 H new ATOM 0 HB2 TRP A 111 5.033 6.206 -0.076 1.00 0.00 H new ATOM 0 HB3 TRP A 111 5.031 7.954 -0.198 1.00 0.00 H new ATOM 0 HD1 TRP A 111 7.364 4.948 -0.399 1.00 0.00 H new ATOM 0 HE1 TRP A 111 9.720 5.692 -1.163 1.00 0.00 H new ATOM 0 HE3 TRP A 111 6.698 10.004 -0.066 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 11.068 8.129 -1.561 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 8.574 11.483 -0.660 1.00 0.00 H new ATOM 0 HH2 TRP A 111 10.729 10.555 -1.401 1.00 0.00 H new ATOM 1664 N ARG A 112 5.463 9.592 2.322 1.00 0.00 N ATOM 1665 CA ARG A 112 6.052 10.832 2.816 1.00 0.00 C ATOM 1666 C ARG A 112 5.729 11.038 4.294 1.00 0.00 C ATOM 1667 O ARG A 112 5.380 12.143 4.713 1.00 0.00 O ATOM 1668 CB ARG A 112 5.524 12.012 2.018 1.00 0.00 C ATOM 1669 CG ARG A 112 6.523 12.577 1.023 1.00 0.00 C ATOM 1670 CD ARG A 112 6.193 14.017 0.659 1.00 0.00 C ATOM 1671 NE ARG A 112 6.180 14.888 1.831 1.00 0.00 N ATOM 1672 CZ ARG A 112 5.520 16.041 1.885 1.00 0.00 C ATOM 1673 NH1 ARG A 112 4.821 16.459 0.838 1.00 0.00 N ATOM 1674 NH2 ARG A 112 5.558 16.776 2.988 1.00 0.00 N ATOM 0 H ARG A 112 4.498 9.681 2.005 1.00 0.00 H new ATOM 0 HA ARG A 112 7.133 10.763 2.699 1.00 0.00 H new ATOM 0 HB2 ARG A 112 4.627 11.703 1.482 1.00 0.00 H new ATOM 0 HB3 ARG A 112 5.227 12.802 2.708 1.00 0.00 H new ATOM 0 HG2 ARG A 112 7.527 12.528 1.446 1.00 0.00 H new ATOM 0 HG3 ARG A 112 6.527 11.964 0.122 1.00 0.00 H new ATOM 0 HD2 ARG A 112 6.925 14.386 -0.059 1.00 0.00 H new ATOM 0 HD3 ARG A 112 5.220 14.053 0.169 1.00 0.00 H new ATOM 0 HE ARG A 112 6.707 14.596 2.654 1.00 0.00 H new ATOM 0 HH11 ARG A 112 4.789 15.895 -0.012 1.00 0.00 H new ATOM 0 HH12 ARG A 112 4.316 17.344 0.883 1.00 0.00 H new ATOM 0 HH21 ARG A 112 6.094 16.457 3.795 1.00 0.00 H new ATOM 0 HH22 ARG A 112 5.052 17.660 3.029 1.00 0.00 H new ATOM 1688 N ASN A 113 5.849 9.981 5.076 1.00 0.00 N ATOM 1689 CA ASN A 113 5.568 10.064 6.505 1.00 0.00 C ATOM 1690 C ASN A 113 6.337 9.005 7.280 1.00 0.00 C ATOM 1691 O ASN A 113 7.213 9.321 8.087 1.00 0.00 O ATOM 1692 CB ASN A 113 4.068 9.907 6.760 1.00 0.00 C ATOM 1693 CG ASN A 113 3.474 11.106 7.473 1.00 0.00 C ATOM 1694 OD1 ASN A 113 4.020 11.585 8.467 1.00 0.00 O ATOM 1695 ND2 ASN A 113 2.350 11.599 6.966 1.00 0.00 N ATOM 0 H ASN A 113 6.137 9.058 4.752 1.00 0.00 H new ATOM 0 HA ASN A 113 5.892 11.045 6.853 1.00 0.00 H new ATOM 0 HB2 ASN A 113 3.554 9.761 5.810 1.00 0.00 H new ATOM 0 HB3 ASN A 113 3.895 9.011 7.356 1.00 0.00 H new ATOM 0 HD21 ASN A 113 1.905 12.406 7.402 1.00 0.00 H new ATOM 0 HD22 ASN A 113 1.932 11.170 6.140 1.00 0.00 H new ATOM 1702 N ARG A 114 5.998 7.750 7.034 1.00 0.00 N ATOM 1703 CA ARG A 114 6.645 6.637 7.708 1.00 0.00 C ATOM 1704 C ARG A 114 7.754 6.042 6.849 1.00 0.00 C ATOM 1705 O ARG A 114 8.482 5.153 7.289 1.00 0.00 O ATOM 1706 CB ARG A 114 5.614 5.561 8.037 1.00 0.00 C ATOM 1707 CG ARG A 114 4.977 5.723 9.407 1.00 0.00 C ATOM 1708 CD ARG A 114 5.856 5.143 10.503 1.00 0.00 C ATOM 1709 NE ARG A 114 5.852 5.973 11.704 1.00 0.00 N ATOM 1710 CZ ARG A 114 6.953 6.322 12.364 1.00 0.00 C ATOM 1711 NH1 ARG A 114 8.141 5.913 11.940 1.00 0.00 N ATOM 1712 NH2 ARG A 114 6.865 7.079 13.449 1.00 0.00 N ATOM 0 H ARG A 114 5.275 7.476 6.369 1.00 0.00 H new ATOM 0 HA ARG A 114 7.091 7.011 8.630 1.00 0.00 H new ATOM 0 HB2 ARG A 114 4.832 5.576 7.278 1.00 0.00 H new ATOM 0 HB3 ARG A 114 6.092 4.583 7.982 1.00 0.00 H new ATOM 0 HG2 ARG A 114 4.799 6.780 9.604 1.00 0.00 H new ATOM 0 HG3 ARG A 114 4.006 5.228 9.418 1.00 0.00 H new ATOM 0 HD2 ARG A 114 5.509 4.141 10.754 1.00 0.00 H new ATOM 0 HD3 ARG A 114 6.877 5.044 10.134 1.00 0.00 H new ATOM 0 HE ARG A 114 4.954 6.304 12.057 1.00 0.00 H new ATOM 0 HH11 ARG A 114 8.212 5.330 11.106 1.00 0.00 H new ATOM 0 HH12 ARG A 114 8.984 6.182 12.448 1.00 0.00 H new ATOM 0 HH21 ARG A 114 5.953 7.394 13.778 1.00 0.00 H new ATOM 0 HH22 ARG A 114 7.710 7.346 13.954 1.00 0.00 H new ATOM 1726 N CYS A 115 7.867 6.526 5.619 1.00 0.00 N ATOM 1727 CA CYS A 115 8.879 6.025 4.700 1.00 0.00 C ATOM 1728 C CYS A 115 9.956 7.065 4.416 1.00 0.00 C ATOM 1729 O CYS A 115 11.144 6.743 4.396 1.00 0.00 O ATOM 1730 CB CYS A 115 8.232 5.591 3.389 1.00 0.00 C ATOM 1731 SG CYS A 115 9.414 4.923 2.181 1.00 0.00 S ATOM 0 H CYS A 115 7.273 7.262 5.236 1.00 0.00 H new ATOM 0 HA CYS A 115 9.355 5.169 5.179 1.00 0.00 H new ATOM 0 HB2 CYS A 115 7.475 4.836 3.600 1.00 0.00 H new ATOM 0 HB3 CYS A 115 7.717 6.444 2.948 1.00 0.00 H new ATOM 1736 N LYS A 116 9.541 8.306 4.186 1.00 0.00 N ATOM 1737 CA LYS A 116 10.482 9.380 3.891 1.00 0.00 C ATOM 1738 C LYS A 116 11.454 9.587 5.046 1.00 0.00 C ATOM 1739 O LYS A 116 11.179 10.347 5.975 1.00 0.00 O ATOM 1740 CB LYS A 116 9.729 10.680 3.603 1.00 0.00 C ATOM 1741 CG LYS A 116 10.600 11.764 2.990 1.00 0.00 C ATOM 1742 CD LYS A 116 9.775 12.966 2.562 1.00 0.00 C ATOM 1743 CE LYS A 116 10.637 14.024 1.893 1.00 0.00 C ATOM 1744 NZ LYS A 116 9.818 15.125 1.315 1.00 0.00 N ATOM 0 H LYS A 116 8.562 8.592 4.198 1.00 0.00 H new ATOM 0 HA LYS A 116 11.054 9.095 3.008 1.00 0.00 H new ATOM 0 HB2 LYS A 116 8.899 10.468 2.929 1.00 0.00 H new ATOM 0 HB3 LYS A 116 9.298 11.054 4.532 1.00 0.00 H new ATOM 0 HG2 LYS A 116 11.354 12.078 3.712 1.00 0.00 H new ATOM 0 HG3 LYS A 116 11.132 11.361 2.128 1.00 0.00 H new ATOM 0 HD2 LYS A 116 8.992 12.645 1.875 1.00 0.00 H new ATOM 0 HD3 LYS A 116 9.279 13.396 3.432 1.00 0.00 H new ATOM 0 HE2 LYS A 116 11.336 14.436 2.621 1.00 0.00 H new ATOM 0 HE3 LYS A 116 11.232 13.562 1.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 10.444 15.825 0.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 9.168 14.737 0.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 9.269 15.583 2.071 1.00 0.00 H new ATOM 1758 N GLY A 117 12.595 8.907 4.981 1.00 0.00 N ATOM 1759 CA GLY A 117 13.592 9.035 6.026 1.00 0.00 C ATOM 1760 C GLY A 117 14.256 7.716 6.370 1.00 0.00 C ATOM 1761 O GLY A 117 15.108 7.660 7.257 1.00 0.00 O ATOM 0 H GLY A 117 12.846 8.271 4.224 1.00 0.00 H new ATOM 0 HA2 GLY A 117 14.353 9.748 5.710 1.00 0.00 H new ATOM 0 HA3 GLY A 117 13.123 9.445 6.921 1.00 0.00 H new ATOM 1765 N THR A 118 13.870 6.649 5.672 1.00 0.00 N ATOM 1766 CA THR A 118 14.442 5.331 5.917 1.00 0.00 C ATOM 1767 C THR A 118 15.188 4.824 4.683 1.00 0.00 C ATOM 1768 O THR A 118 15.757 5.612 3.928 1.00 0.00 O ATOM 1769 CB THR A 118 13.352 4.314 6.308 1.00 0.00 C ATOM 1770 OG1 THR A 118 12.342 4.263 5.293 1.00 0.00 O ATOM 1771 CG2 THR A 118 12.720 4.685 7.641 1.00 0.00 C ATOM 0 H THR A 118 13.165 6.674 4.935 1.00 0.00 H new ATOM 0 HA THR A 118 15.144 5.431 6.745 1.00 0.00 H new ATOM 0 HB THR A 118 13.819 3.334 6.405 1.00 0.00 H new ATOM 0 HG1 THR A 118 11.931 5.147 5.196 1.00 0.00 H new ATOM 0 HG21 THR A 118 11.954 3.953 7.897 1.00 0.00 H new ATOM 0 HG22 THR A 118 13.486 4.694 8.417 1.00 0.00 H new ATOM 0 HG23 THR A 118 12.267 5.674 7.566 1.00 0.00 H new ATOM 1779 N ASP A 119 15.188 3.506 4.483 1.00 0.00 N ATOM 1780 CA ASP A 119 15.871 2.912 3.341 1.00 0.00 C ATOM 1781 C ASP A 119 15.027 1.829 2.677 1.00 0.00 C ATOM 1782 O ASP A 119 14.791 0.768 3.255 1.00 0.00 O ATOM 1783 CB ASP A 119 17.200 2.337 3.768 1.00 0.00 C ATOM 1784 CG ASP A 119 18.235 2.377 2.660 1.00 0.00 C ATOM 1785 OD1 ASP A 119 18.640 3.490 2.267 1.00 0.00 O ATOM 1786 OD2 ASP A 119 18.639 1.294 2.187 1.00 0.00 O ATOM 0 H ASP A 119 14.724 2.835 5.095 1.00 0.00 H new ATOM 0 HA ASP A 119 16.035 3.704 2.610 1.00 0.00 H new ATOM 0 HB2 ASP A 119 17.573 2.893 4.629 1.00 0.00 H new ATOM 0 HB3 ASP A 119 17.059 1.306 4.091 1.00 0.00 H new ATOM 1791 N VAL A 120 14.581 2.103 1.454 1.00 0.00 N ATOM 1792 CA VAL A 120 13.772 1.158 0.697 1.00 0.00 C ATOM 1793 C VAL A 120 14.605 -0.050 0.295 1.00 0.00 C ATOM 1794 O VAL A 120 14.115 -1.179 0.287 1.00 0.00 O ATOM 1795 CB VAL A 120 13.179 1.808 -0.568 1.00 0.00 C ATOM 1796 CG1 VAL A 120 12.117 2.830 -0.195 1.00 0.00 C ATOM 1797 CG2 VAL A 120 14.276 2.451 -1.405 1.00 0.00 C ATOM 0 H VAL A 120 14.769 2.978 0.965 1.00 0.00 H new ATOM 0 HA VAL A 120 12.952 0.842 1.342 1.00 0.00 H new ATOM 0 HB VAL A 120 12.707 1.028 -1.166 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.710 3.279 -1.101 1.00 0.00 H new ATOM 0 HG12 VAL A 120 11.317 2.338 0.358 1.00 0.00 H new ATOM 0 HG13 VAL A 120 12.562 3.607 0.426 1.00 0.00 H new ATOM 0 HG21 VAL A 120 13.837 2.904 -2.294 1.00 0.00 H new ATOM 0 HG22 VAL A 120 14.780 3.218 -0.817 1.00 0.00 H new ATOM 0 HG23 VAL A 120 14.998 1.691 -1.704 1.00 0.00 H new ATOM 1807 N GLN A 121 15.875 0.195 -0.022 1.00 0.00 N ATOM 1808 CA GLN A 121 16.782 -0.878 -0.403 1.00 0.00 C ATOM 1809 C GLN A 121 16.863 -1.896 0.723 1.00 0.00 C ATOM 1810 O GLN A 121 17.189 -3.063 0.506 1.00 0.00 O ATOM 1811 CB GLN A 121 18.172 -0.321 -0.713 1.00 0.00 C ATOM 1812 CG GLN A 121 18.182 0.705 -1.835 1.00 0.00 C ATOM 1813 CD GLN A 121 18.473 0.084 -3.188 1.00 0.00 C ATOM 1814 OE1 GLN A 121 17.620 0.073 -4.076 1.00 0.00 O ATOM 1815 NE2 GLN A 121 19.683 -0.437 -3.351 1.00 0.00 N ATOM 0 H GLN A 121 16.295 1.124 -0.022 1.00 0.00 H new ATOM 0 HA GLN A 121 16.401 -1.363 -1.302 1.00 0.00 H new ATOM 0 HB2 GLN A 121 18.580 0.135 0.189 1.00 0.00 H new ATOM 0 HB3 GLN A 121 18.833 -1.145 -0.980 1.00 0.00 H new ATOM 0 HG2 GLN A 121 17.216 1.209 -1.870 1.00 0.00 H new ATOM 0 HG3 GLN A 121 18.931 1.467 -1.620 1.00 0.00 H new ATOM 0 HE21 GLN A 121 20.359 -0.406 -2.588 1.00 0.00 H new ATOM 0 HE22 GLN A 121 19.937 -0.869 -4.240 1.00 0.00 H new ATOM 1824 N ALA A 122 16.543 -1.438 1.929 1.00 0.00 N ATOM 1825 CA ALA A 122 16.552 -2.292 3.105 1.00 0.00 C ATOM 1826 C ALA A 122 15.208 -2.990 3.260 1.00 0.00 C ATOM 1827 O ALA A 122 15.128 -4.091 3.808 1.00 0.00 O ATOM 1828 CB ALA A 122 16.879 -1.480 4.349 1.00 0.00 C ATOM 0 H ALA A 122 16.273 -0.472 2.115 1.00 0.00 H new ATOM 0 HA ALA A 122 17.324 -3.051 2.978 1.00 0.00 H new ATOM 0 HB1 ALA A 122 16.882 -2.135 5.221 1.00 0.00 H new ATOM 0 HB2 ALA A 122 17.862 -1.022 4.236 1.00 0.00 H new ATOM 0 HB3 ALA A 122 16.128 -0.701 4.483 1.00 0.00 H new ATOM 1834 N TRP A 123 14.149 -2.348 2.763 1.00 0.00 N ATOM 1835 CA TRP A 123 12.810 -2.922 2.840 1.00 0.00 C ATOM 1836 C TRP A 123 12.678 -4.105 1.888 1.00 0.00 C ATOM 1837 O TRP A 123 11.776 -4.931 2.027 1.00 0.00 O ATOM 1838 CB TRP A 123 11.750 -1.871 2.509 1.00 0.00 C ATOM 1839 CG TRP A 123 11.623 -0.796 3.546 1.00 0.00 C ATOM 1840 CD1 TRP A 123 11.499 0.542 3.317 1.00 0.00 C ATOM 1841 CD2 TRP A 123 11.604 -0.962 4.971 1.00 0.00 C ATOM 1842 NE1 TRP A 123 11.406 1.216 4.510 1.00 0.00 N ATOM 1843 CE2 TRP A 123 11.469 0.310 5.536 1.00 0.00 C ATOM 1844 CE3 TRP A 123 11.687 -2.061 5.823 1.00 0.00 C ATOM 1845 CZ2 TRP A 123 11.416 0.503 6.910 1.00 0.00 C ATOM 1846 CZ3 TRP A 123 11.634 -1.867 7.186 1.00 0.00 C ATOM 1847 CH2 TRP A 123 11.500 -0.591 7.718 1.00 0.00 C ATOM 0 H TRP A 123 14.194 -1.437 2.307 1.00 0.00 H new ATOM 0 HA TRP A 123 12.652 -3.270 3.861 1.00 0.00 H new ATOM 0 HB2 TRP A 123 11.993 -1.412 1.551 1.00 0.00 H new ATOM 0 HB3 TRP A 123 10.786 -2.365 2.391 1.00 0.00 H new ATOM 0 HD1 TRP A 123 11.477 1.004 2.341 1.00 0.00 H new ATOM 0 HE1 TRP A 123 11.306 2.226 4.615 1.00 0.00 H new ATOM 0 HE3 TRP A 123 11.792 -3.057 5.418 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 11.311 1.494 7.327 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 11.697 -2.717 7.849 1.00 0.00 H new ATOM 0 HH2 TRP A 123 11.462 -0.464 8.790 1.00 0.00 H new ATOM 1858 N ILE A 124 13.587 -4.178 0.921 1.00 0.00 N ATOM 1859 CA ILE A 124 13.580 -5.258 -0.057 1.00 0.00 C ATOM 1860 C ILE A 124 14.839 -6.109 0.061 1.00 0.00 C ATOM 1861 O ILE A 124 15.047 -7.034 -0.724 1.00 0.00 O ATOM 1862 CB ILE A 124 13.469 -4.719 -1.495 1.00 0.00 C ATOM 1863 CG1 ILE A 124 14.489 -3.601 -1.727 1.00 0.00 C ATOM 1864 CG2 ILE A 124 12.057 -4.223 -1.768 1.00 0.00 C ATOM 1865 CD1 ILE A 124 15.068 -3.592 -3.124 1.00 0.00 C ATOM 0 H ILE A 124 14.339 -3.500 0.794 1.00 0.00 H new ATOM 0 HA ILE A 124 12.705 -5.872 0.157 1.00 0.00 H new ATOM 0 HB ILE A 124 13.687 -5.531 -2.188 1.00 0.00 H new ATOM 0 HG12 ILE A 124 14.013 -2.640 -1.534 1.00 0.00 H new ATOM 0 HG13 ILE A 124 15.300 -3.705 -1.007 1.00 0.00 H new ATOM 0 HG21 ILE A 124 11.995 -3.845 -2.789 1.00 0.00 H new ATOM 0 HG22 ILE A 124 11.352 -5.045 -1.642 1.00 0.00 H new ATOM 0 HG23 ILE A 124 11.811 -3.423 -1.070 1.00 0.00 H new ATOM 0 HD11 ILE A 124 15.783 -2.774 -3.216 1.00 0.00 H new ATOM 0 HD12 ILE A 124 15.573 -4.539 -3.314 1.00 0.00 H new ATOM 0 HD13 ILE A 124 14.266 -3.457 -3.849 1.00 0.00 H new ATOM 1877 N ARG A 125 15.673 -5.794 1.048 1.00 0.00 N ATOM 1878 CA ARG A 125 16.907 -6.537 1.269 1.00 0.00 C ATOM 1879 C ARG A 125 16.601 -7.977 1.661 1.00 0.00 C ATOM 1880 O ARG A 125 16.337 -8.273 2.827 1.00 0.00 O ATOM 1881 CB ARG A 125 17.745 -5.865 2.358 1.00 0.00 C ATOM 1882 CG ARG A 125 19.200 -6.306 2.364 1.00 0.00 C ATOM 1883 CD ARG A 125 19.955 -5.717 3.545 1.00 0.00 C ATOM 1884 NE ARG A 125 19.852 -6.557 4.735 1.00 0.00 N ATOM 1885 CZ ARG A 125 18.957 -6.364 5.699 1.00 0.00 C ATOM 1886 NH1 ARG A 125 18.091 -5.364 5.614 1.00 0.00 N ATOM 1887 NH2 ARG A 125 18.927 -7.174 6.750 1.00 0.00 N ATOM 0 H ARG A 125 15.516 -5.030 1.706 1.00 0.00 H new ATOM 0 HA ARG A 125 17.476 -6.542 0.339 1.00 0.00 H new ATOM 0 HB2 ARG A 125 17.702 -4.784 2.223 1.00 0.00 H new ATOM 0 HB3 ARG A 125 17.304 -6.083 3.331 1.00 0.00 H new ATOM 0 HG2 ARG A 125 19.251 -7.394 2.404 1.00 0.00 H new ATOM 0 HG3 ARG A 125 19.679 -5.998 1.434 1.00 0.00 H new ATOM 0 HD2 ARG A 125 21.005 -5.593 3.279 1.00 0.00 H new ATOM 0 HD3 ARG A 125 19.563 -4.724 3.767 1.00 0.00 H new ATOM 0 HE ARG A 125 20.503 -7.336 4.832 1.00 0.00 H new ATOM 0 HH11 ARG A 125 18.110 -4.740 4.807 1.00 0.00 H new ATOM 0 HH12 ARG A 125 17.406 -5.219 6.355 1.00 0.00 H new ATOM 0 HH21 ARG A 125 19.591 -7.945 6.819 1.00 0.00 H new ATOM 0 HH22 ARG A 125 18.240 -7.025 7.489 1.00 0.00 H new ATOM 1901 N GLY A 126 16.635 -8.868 0.677 1.00 0.00 N ATOM 1902 CA GLY A 126 16.354 -10.267 0.932 1.00 0.00 C ATOM 1903 C GLY A 126 15.595 -10.920 -0.206 1.00 0.00 C ATOM 1904 O GLY A 126 15.328 -12.121 -0.174 1.00 0.00 O ATOM 0 H GLY A 126 16.853 -8.645 -0.294 1.00 0.00 H new ATOM 0 HA2 GLY A 126 17.291 -10.800 1.093 1.00 0.00 H new ATOM 0 HA3 GLY A 126 15.774 -10.357 1.851 1.00 0.00 H new ATOM 1908 N CYS A 127 15.252 -10.127 -1.217 1.00 0.00 N ATOM 1909 CA CYS A 127 14.528 -10.630 -2.372 1.00 0.00 C ATOM 1910 C CYS A 127 15.381 -10.518 -3.628 1.00 0.00 C ATOM 1911 O CYS A 127 16.150 -9.570 -3.785 1.00 0.00 O ATOM 1912 CB CYS A 127 13.237 -9.865 -2.558 1.00 0.00 C ATOM 1913 SG CYS A 127 12.527 -9.205 -1.015 1.00 0.00 S ATOM 0 H CYS A 127 15.466 -9.131 -1.256 1.00 0.00 H new ATOM 0 HA CYS A 127 14.296 -11.681 -2.198 1.00 0.00 H new ATOM 0 HB2 CYS A 127 13.414 -9.038 -3.245 1.00 0.00 H new ATOM 0 HB3 CYS A 127 12.505 -10.520 -3.030 1.00 0.00 H new ATOM 1918 N ARG A 128 15.240 -11.489 -4.518 1.00 0.00 N ATOM 1919 CA ARG A 128 15.997 -11.500 -5.765 1.00 0.00 C ATOM 1920 C ARG A 128 15.247 -12.281 -6.831 1.00 0.00 C ATOM 1921 O ARG A 128 15.762 -13.245 -7.398 1.00 0.00 O ATOM 1922 CB ARG A 128 17.387 -12.102 -5.544 1.00 0.00 C ATOM 1923 CG ARG A 128 17.376 -13.366 -4.701 1.00 0.00 C ATOM 1924 CD ARG A 128 18.719 -13.599 -4.030 1.00 0.00 C ATOM 1925 NE ARG A 128 19.291 -14.897 -4.382 1.00 0.00 N ATOM 1926 CZ ARG A 128 20.397 -15.389 -3.834 1.00 0.00 C ATOM 1927 NH1 ARG A 128 21.050 -14.694 -2.912 1.00 0.00 N ATOM 1928 NH2 ARG A 128 20.852 -16.577 -4.208 1.00 0.00 N ATOM 0 H ARG A 128 14.608 -12.281 -4.401 1.00 0.00 H new ATOM 0 HA ARG A 128 16.116 -10.471 -6.105 1.00 0.00 H new ATOM 0 HB2 ARG A 128 17.835 -12.325 -6.512 1.00 0.00 H new ATOM 0 HB3 ARG A 128 18.023 -11.359 -5.062 1.00 0.00 H new ATOM 0 HG2 ARG A 128 16.597 -13.292 -3.942 1.00 0.00 H new ATOM 0 HG3 ARG A 128 17.129 -14.222 -5.329 1.00 0.00 H new ATOM 0 HD2 ARG A 128 19.411 -12.808 -4.320 1.00 0.00 H new ATOM 0 HD3 ARG A 128 18.599 -13.537 -2.948 1.00 0.00 H new ATOM 0 HE ARG A 128 18.814 -15.457 -5.089 1.00 0.00 H new ATOM 0 HH11 ARG A 128 20.703 -13.780 -2.622 1.00 0.00 H new ATOM 0 HH12 ARG A 128 21.899 -15.074 -2.493 1.00 0.00 H new ATOM 0 HH21 ARG A 128 20.353 -17.114 -4.917 1.00 0.00 H new ATOM 0 HH22 ARG A 128 21.701 -16.954 -3.787 1.00 0.00 H new ATOM 1942 N LEU A 129 14.018 -11.859 -7.085 1.00 0.00 N ATOM 1943 CA LEU A 129 13.162 -12.508 -8.067 1.00 0.00 C ATOM 1944 C LEU A 129 13.273 -11.826 -9.427 1.00 0.00 C ATOM 1945 O LEU A 129 13.632 -12.514 -10.405 1.00 0.00 O ATOM 1946 CB LEU A 129 11.711 -12.478 -7.578 1.00 0.00 C ATOM 1947 CG LEU A 129 11.523 -11.932 -6.158 1.00 0.00 C ATOM 1948 CD1 LEU A 129 11.438 -10.411 -6.173 1.00 0.00 C ATOM 1949 CD2 LEU A 129 10.286 -12.530 -5.509 1.00 0.00 C ATOM 1950 OXT LEU A 129 13.000 -10.610 -9.502 1.00 0.00 O ATOM 0 H LEU A 129 13.587 -11.061 -6.619 1.00 0.00 H new ATOM 0 HA LEU A 129 13.487 -13.542 -8.183 1.00 0.00 H new ATOM 0 HB2 LEU A 129 11.123 -11.871 -8.266 1.00 0.00 H new ATOM 0 HB3 LEU A 129 11.307 -13.490 -7.620 1.00 0.00 H new ATOM 0 HG LEU A 129 12.392 -12.221 -5.566 1.00 0.00 H new ATOM 0 HD11 LEU A 129 11.305 -10.044 -5.155 1.00 0.00 H new ATOM 0 HD12 LEU A 129 12.357 -9.999 -6.590 1.00 0.00 H new ATOM 0 HD13 LEU A 129 10.591 -10.100 -6.785 1.00 0.00 H new ATOM 0 HD21 LEU A 129 10.173 -12.128 -4.502 1.00 0.00 H new ATOM 0 HD22 LEU A 129 9.406 -12.278 -6.101 1.00 0.00 H new ATOM 0 HD23 LEU A 129 10.390 -13.614 -5.457 1.00 0.00 H new