USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 551 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 70 THR OG1 : rot -51:sc= 1.22 USER MOD Set 1.2: A 76 LYS NZ :NH3+ 153:sc= 0.362 (180deg=-0.164) USER MOD Set 2.1: A 45 SER OG : rot 79:sc= 2.1 USER MOD Set 2.2: A 58 THR OG1 : rot 78:sc= 1.33 USER MOD Set 3.1: A 42 HIS : no HD1:sc= -0.314 K(o=-1.4,f=-8.6!) USER MOD Set 3.2: A 46 HIS : no HD1:sc= -0.463 K(o=-1.4,f=-9.4!) USER MOD Set 3.3: A 56 HIS : no HD1:sc= -0.612 K(o=-1.4,f=-3.7) USER MOD Single : A 12 GLN : amide:sc= 2.11 K(o=2.1,f=-9.5!) USER MOD Single : A 15 LYS NZ :NH3+ -161:sc= 0.946 (180deg=0.736) USER MOD Single : A 17 THR OG1 : rot -39:sc= 1.09 USER MOD Single : A 22 SER OG : rot -170:sc= -0.0216 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0.00215 USER MOD Single : A 32 THR OG1 : rot 68:sc= 0.495 USER MOD Single : A 36 THR OG1 : rot -42:sc= 0.553 USER MOD Single : A 37 SER OG : rot 180:sc= 0.0818 USER MOD Single : A 47 LYS NZ :NH3+ -170:sc= 1.02 (180deg=0.95) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0.298 K(o=0.3,f=-0.85) USER MOD Single : A 55 MET CE :methyl 172:sc= -0.029 (180deg=-0.158) USER MOD Single : A 57 HIS : no HD1:sc= -1.37 X(o=-1.4,f=-1.3) USER MOD Single : A 64 ASN : amide:sc= 1.15 K(o=1.2,f=-2!) USER MOD Single : A 69 GLN : amide:sc= -1.4! C(o=-1.4!,f=-2.5!) USER MOD Single : A 71 SER OG : rot 180:sc= -0.437 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0311) USER MOD Single : A 79 SER OG : rot 180:sc= 0.0166 USER MOD Single : A 80 LYS NZ :NH3+ 165:sc= 0.924 (180deg=0.446) USER MOD ----------------------------------------------------------------- ATOM 61 N GLY A 5 12.668 0.964 -8.136 1.00 0.00 N ATOM 62 CA GLY A 5 12.604 1.757 -6.916 1.00 0.00 C ATOM 63 C GLY A 5 12.567 0.874 -5.670 1.00 0.00 C ATOM 64 O GLY A 5 11.611 0.929 -4.895 1.00 0.00 O ATOM 0 HA2 GLY A 5 13.468 2.420 -6.867 1.00 0.00 H new ATOM 0 HA3 GLY A 5 11.717 2.390 -6.940 1.00 0.00 H new ATOM 68 N ALA A 6 13.600 0.047 -5.500 1.00 0.00 N ATOM 69 CA ALA A 6 13.787 -0.822 -4.352 1.00 0.00 C ATOM 70 C ALA A 6 13.992 0.047 -3.115 1.00 0.00 C ATOM 71 O ALA A 6 14.691 1.058 -3.171 1.00 0.00 O ATOM 72 CB ALA A 6 14.976 -1.756 -4.586 1.00 0.00 C ATOM 0 H ALA A 6 14.351 -0.034 -6.185 1.00 0.00 H new ATOM 0 HA ALA A 6 12.908 -1.449 -4.203 1.00 0.00 H new ATOM 0 HB1 ALA A 6 15.107 -2.403 -3.719 1.00 0.00 H new ATOM 0 HB2 ALA A 6 14.791 -2.367 -5.470 1.00 0.00 H new ATOM 0 HB3 ALA A 6 15.879 -1.165 -4.737 1.00 0.00 H new ATOM 78 N CYS A 7 13.347 -0.329 -2.013 1.00 0.00 N ATOM 79 CA CYS A 7 13.324 0.441 -0.783 1.00 0.00 C ATOM 80 C CYS A 7 13.402 -0.445 0.468 1.00 0.00 C ATOM 81 O CYS A 7 13.044 -1.620 0.418 1.00 0.00 O ATOM 82 CB CYS A 7 12.038 1.269 -0.824 1.00 0.00 C ATOM 83 SG CYS A 7 11.604 1.991 0.755 1.00 0.00 S ATOM 0 H CYS A 7 12.816 -1.198 -1.955 1.00 0.00 H new ATOM 0 HA CYS A 7 14.202 1.084 -0.716 1.00 0.00 H new ATOM 0 HB2 CYS A 7 12.151 2.065 -1.560 1.00 0.00 H new ATOM 0 HB3 CYS A 7 11.218 0.636 -1.163 1.00 0.00 H new ATOM 88 N GLU A 8 13.869 0.126 1.586 1.00 0.00 N ATOM 89 CA GLU A 8 13.953 -0.463 2.909 1.00 0.00 C ATOM 90 C GLU A 8 12.848 0.120 3.809 1.00 0.00 C ATOM 91 O GLU A 8 12.227 -0.631 4.560 1.00 0.00 O ATOM 92 CB GLU A 8 15.333 -0.163 3.500 1.00 0.00 C ATOM 93 CG GLU A 8 16.493 -0.611 2.599 1.00 0.00 C ATOM 94 CD GLU A 8 17.816 -0.065 3.120 1.00 0.00 C ATOM 95 OE1 GLU A 8 18.069 1.132 2.856 1.00 0.00 O ATOM 96 OE2 GLU A 8 18.535 -0.838 3.788 1.00 0.00 O ATOM 0 H GLU A 8 14.222 1.083 1.578 1.00 0.00 H new ATOM 0 HA GLU A 8 13.814 -1.542 2.845 1.00 0.00 H new ATOM 0 HB2 GLU A 8 15.417 0.908 3.682 1.00 0.00 H new ATOM 0 HB3 GLU A 8 15.421 -0.658 4.467 1.00 0.00 H new ATOM 0 HG2 GLU A 8 16.532 -1.700 2.561 1.00 0.00 H new ATOM 0 HG3 GLU A 8 16.325 -0.262 1.580 1.00 0.00 H new ATOM 103 N ARG A 9 12.626 1.446 3.773 1.00 0.00 N ATOM 104 CA ARG A 9 11.554 2.118 4.518 1.00 0.00 C ATOM 105 C ARG A 9 11.052 3.381 3.801 1.00 0.00 C ATOM 106 O ARG A 9 11.814 4.031 3.083 1.00 0.00 O ATOM 107 CB ARG A 9 11.941 2.414 5.975 1.00 0.00 C ATOM 108 CG ARG A 9 12.980 3.523 6.208 1.00 0.00 C ATOM 109 CD ARG A 9 14.392 3.144 5.757 1.00 0.00 C ATOM 110 NE ARG A 9 15.345 4.223 6.041 1.00 0.00 N ATOM 111 CZ ARG A 9 16.647 4.184 5.721 1.00 0.00 C ATOM 112 NH1 ARG A 9 17.165 3.102 5.132 1.00 0.00 N ATOM 113 NH2 ARG A 9 17.425 5.236 5.995 1.00 0.00 N ATOM 0 H ARG A 9 13.194 2.086 3.218 1.00 0.00 H new ATOM 0 HA ARG A 9 10.724 1.412 4.550 1.00 0.00 H new ATOM 0 HB2 ARG A 9 11.035 2.679 6.519 1.00 0.00 H new ATOM 0 HB3 ARG A 9 12.322 1.494 6.418 1.00 0.00 H new ATOM 0 HG2 ARG A 9 12.666 4.421 5.676 1.00 0.00 H new ATOM 0 HG3 ARG A 9 13.001 3.772 7.269 1.00 0.00 H new ATOM 0 HD2 ARG A 9 14.707 2.233 6.266 1.00 0.00 H new ATOM 0 HD3 ARG A 9 14.390 2.928 4.689 1.00 0.00 H new ATOM 0 HE ARG A 9 14.995 5.057 6.512 1.00 0.00 H new ATOM 0 HH11 ARG A 9 16.570 2.300 4.924 1.00 0.00 H new ATOM 0 HH12 ARG A 9 18.156 3.078 4.891 1.00 0.00 H new ATOM 0 HH21 ARG A 9 17.028 6.061 6.444 1.00 0.00 H new ATOM 0 HH22 ARG A 9 18.416 5.214 5.755 1.00 0.00 H new ATOM 127 N ASP A 10 9.779 3.736 4.039 1.00 0.00 N ATOM 128 CA ASP A 10 9.043 4.844 3.412 1.00 0.00 C ATOM 129 C ASP A 10 9.859 6.119 3.234 1.00 0.00 C ATOM 130 O ASP A 10 9.715 6.793 2.219 1.00 0.00 O ATOM 131 CB ASP A 10 7.790 5.202 4.222 1.00 0.00 C ATOM 132 CG ASP A 10 6.559 4.358 3.934 1.00 0.00 C ATOM 133 OD1 ASP A 10 6.639 3.316 3.251 1.00 0.00 O ATOM 134 OD2 ASP A 10 5.492 4.752 4.451 1.00 0.00 O ATOM 0 H ASP A 10 9.204 3.229 4.712 1.00 0.00 H new ATOM 0 HA ASP A 10 8.784 4.470 2.422 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.028 5.116 5.282 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.544 6.247 4.034 1.00 0.00 H new ATOM 139 N LEU A 11 10.675 6.477 4.227 1.00 0.00 N ATOM 140 CA LEU A 11 11.509 7.674 4.199 1.00 0.00 C ATOM 141 C LEU A 11 12.253 7.835 2.867 1.00 0.00 C ATOM 142 O LEU A 11 12.439 8.954 2.395 1.00 0.00 O ATOM 143 CB LEU A 11 12.515 7.643 5.360 1.00 0.00 C ATOM 144 CG LEU A 11 11.873 7.599 6.758 1.00 0.00 C ATOM 145 CD1 LEU A 11 12.981 7.458 7.809 1.00 0.00 C ATOM 146 CD2 LEU A 11 11.059 8.865 7.052 1.00 0.00 C ATOM 0 H LEU A 11 10.775 5.934 5.085 1.00 0.00 H new ATOM 0 HA LEU A 11 10.846 8.532 4.308 1.00 0.00 H new ATOM 0 HB2 LEU A 11 13.160 6.772 5.242 1.00 0.00 H new ATOM 0 HB3 LEU A 11 13.154 8.524 5.295 1.00 0.00 H new ATOM 0 HG LEU A 11 11.193 6.748 6.793 1.00 0.00 H new ATOM 0 HD11 LEU A 11 12.537 7.426 8.804 1.00 0.00 H new ATOM 0 HD12 LEU A 11 13.537 6.538 7.630 1.00 0.00 H new ATOM 0 HD13 LEU A 11 13.657 8.310 7.741 1.00 0.00 H new ATOM 0 HD21 LEU A 11 10.623 8.794 8.048 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.712 9.737 7.003 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.263 8.966 6.314 1.00 0.00 H new ATOM 158 N GLN A 12 12.685 6.720 2.271 1.00 0.00 N ATOM 159 CA GLN A 12 13.445 6.699 1.032 1.00 0.00 C ATOM 160 C GLN A 12 12.585 6.932 -0.216 1.00 0.00 C ATOM 161 O GLN A 12 13.127 7.227 -1.279 1.00 0.00 O ATOM 162 CB GLN A 12 14.141 5.339 0.932 1.00 0.00 C ATOM 163 CG GLN A 12 14.959 5.035 2.193 1.00 0.00 C ATOM 164 CD GLN A 12 15.543 3.635 2.124 1.00 0.00 C ATOM 165 OE1 GLN A 12 14.793 2.666 2.181 1.00 0.00 O ATOM 166 NE2 GLN A 12 16.861 3.508 2.022 1.00 0.00 N ATOM 0 H GLN A 12 12.509 5.790 2.650 1.00 0.00 H new ATOM 0 HA GLN A 12 14.161 7.520 1.063 1.00 0.00 H new ATOM 0 HB2 GLN A 12 13.396 4.557 0.783 1.00 0.00 H new ATOM 0 HB3 GLN A 12 14.795 5.327 0.060 1.00 0.00 H new ATOM 0 HG2 GLN A 12 15.761 5.765 2.298 1.00 0.00 H new ATOM 0 HG3 GLN A 12 14.326 5.128 3.075 1.00 0.00 H new ATOM 0 HE21 GLN A 12 17.451 4.339 1.977 1.00 0.00 H new ATOM 0 HE22 GLN A 12 17.283 2.580 1.988 1.00 0.00 H new ATOM 175 N CYS A 13 11.264 6.774 -0.112 1.00 0.00 N ATOM 176 CA CYS A 13 10.334 6.903 -1.226 1.00 0.00 C ATOM 177 C CYS A 13 9.673 8.276 -1.202 1.00 0.00 C ATOM 178 O CYS A 13 9.591 8.920 -0.158 1.00 0.00 O ATOM 179 CB CYS A 13 9.235 5.839 -1.111 1.00 0.00 C ATOM 180 SG CYS A 13 9.757 4.119 -1.250 1.00 0.00 S ATOM 0 H CYS A 13 10.805 6.548 0.770 1.00 0.00 H new ATOM 0 HA CYS A 13 10.890 6.774 -2.155 1.00 0.00 H new ATOM 0 HB2 CYS A 13 8.737 5.967 -0.150 1.00 0.00 H new ATOM 0 HB3 CYS A 13 8.491 6.033 -1.884 1.00 0.00 H new ATOM 185 N GLY A 14 9.183 8.737 -2.358 1.00 0.00 N ATOM 186 CA GLY A 14 8.410 9.967 -2.392 1.00 0.00 C ATOM 187 C GLY A 14 7.104 9.681 -1.663 1.00 0.00 C ATOM 188 O GLY A 14 6.522 8.611 -1.822 1.00 0.00 O ATOM 0 H GLY A 14 9.308 8.282 -3.262 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.953 10.779 -1.909 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.220 10.277 -3.420 1.00 0.00 H new ATOM 192 N LYS A 15 6.608 10.649 -0.903 1.00 0.00 N ATOM 193 CA LYS A 15 5.446 10.448 -0.039 1.00 0.00 C ATOM 194 C LYS A 15 4.117 10.276 -0.790 1.00 0.00 C ATOM 195 O LYS A 15 3.081 10.075 -0.163 1.00 0.00 O ATOM 196 CB LYS A 15 5.434 11.519 1.061 1.00 0.00 C ATOM 197 CG LYS A 15 6.779 11.597 1.817 1.00 0.00 C ATOM 198 CD LYS A 15 7.227 10.240 2.393 1.00 0.00 C ATOM 199 CE LYS A 15 8.556 10.321 3.152 1.00 0.00 C ATOM 200 NZ LYS A 15 9.693 10.553 2.242 1.00 0.00 N ATOM 0 H LYS A 15 6.996 11.592 -0.866 1.00 0.00 H new ATOM 0 HA LYS A 15 5.551 9.479 0.448 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.212 12.490 0.618 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.634 11.301 1.769 1.00 0.00 H new ATOM 0 HG2 LYS A 15 7.548 11.970 1.141 1.00 0.00 H new ATOM 0 HG3 LYS A 15 6.691 12.319 2.629 1.00 0.00 H new ATOM 0 HD2 LYS A 15 6.454 9.863 3.063 1.00 0.00 H new ATOM 0 HD3 LYS A 15 7.322 9.520 1.580 1.00 0.00 H new ATOM 0 HE2 LYS A 15 8.507 11.126 3.885 1.00 0.00 H new ATOM 0 HE3 LYS A 15 8.716 9.395 3.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.579 10.287 2.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.574 9.977 1.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 9.729 11.559 1.981 1.00 0.00 H new ATOM 214 N GLY A 16 4.144 10.311 -2.127 1.00 0.00 N ATOM 215 CA GLY A 16 3.009 9.945 -2.965 1.00 0.00 C ATOM 216 C GLY A 16 3.026 8.430 -3.228 1.00 0.00 C ATOM 217 O GLY A 16 2.194 7.906 -3.968 1.00 0.00 O ATOM 0 H GLY A 16 4.966 10.598 -2.658 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.077 10.228 -2.476 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.052 10.488 -3.909 1.00 0.00 H new ATOM 221 N THR A 17 3.994 7.710 -2.654 1.00 0.00 N ATOM 222 CA THR A 17 4.146 6.275 -2.776 1.00 0.00 C ATOM 223 C THR A 17 4.551 5.768 -1.380 1.00 0.00 C ATOM 224 O THR A 17 4.790 6.587 -0.491 1.00 0.00 O ATOM 225 CB THR A 17 5.245 5.989 -3.833 1.00 0.00 C ATOM 226 OG1 THR A 17 6.522 6.318 -3.335 1.00 0.00 O ATOM 227 CG2 THR A 17 5.081 6.786 -5.134 1.00 0.00 C ATOM 0 H THR A 17 4.715 8.136 -2.072 1.00 0.00 H new ATOM 0 HA THR A 17 3.235 5.773 -3.102 1.00 0.00 H new ATOM 0 HB THR A 17 5.142 4.925 -4.045 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.465 7.141 -2.806 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.887 6.530 -5.821 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.123 6.542 -5.592 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.116 7.853 -4.914 1.00 0.00 H new ATOM 235 N CYS A 18 4.624 4.453 -1.160 1.00 0.00 N ATOM 236 CA CYS A 18 5.090 3.870 0.095 1.00 0.00 C ATOM 237 C CYS A 18 5.953 2.639 -0.197 1.00 0.00 C ATOM 238 O CYS A 18 5.840 2.022 -1.258 1.00 0.00 O ATOM 239 CB CYS A 18 3.929 3.552 1.042 1.00 0.00 C ATOM 240 SG CYS A 18 3.340 1.849 0.955 1.00 0.00 S ATOM 0 H CYS A 18 4.358 3.758 -1.857 1.00 0.00 H new ATOM 0 HA CYS A 18 5.706 4.605 0.613 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.242 3.763 2.064 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.099 4.222 0.818 1.00 0.00 H new ATOM 245 N CYS A 19 6.805 2.270 0.756 1.00 0.00 N ATOM 246 CA CYS A 19 7.786 1.198 0.643 1.00 0.00 C ATOM 247 C CYS A 19 7.138 -0.170 0.851 1.00 0.00 C ATOM 248 O CYS A 19 7.421 -0.859 1.830 1.00 0.00 O ATOM 249 CB CYS A 19 8.824 1.477 1.721 1.00 0.00 C ATOM 250 SG CYS A 19 10.352 0.554 1.593 1.00 0.00 S ATOM 0 H CYS A 19 6.830 2.730 1.666 1.00 0.00 H new ATOM 0 HA CYS A 19 8.234 1.173 -0.351 1.00 0.00 H new ATOM 0 HB2 CYS A 19 9.062 2.541 1.702 1.00 0.00 H new ATOM 0 HB3 CYS A 19 8.376 1.268 2.692 1.00 0.00 H new ATOM 255 N ALA A 20 6.229 -0.555 -0.044 1.00 0.00 N ATOM 256 CA ALA A 20 5.445 -1.774 0.130 1.00 0.00 C ATOM 257 C ALA A 20 6.237 -3.035 -0.204 1.00 0.00 C ATOM 258 O ALA A 20 7.213 -2.980 -0.944 1.00 0.00 O ATOM 259 CB ALA A 20 4.174 -1.700 -0.705 1.00 0.00 C ATOM 0 H ALA A 20 6.018 -0.038 -0.898 1.00 0.00 H new ATOM 0 HA ALA A 20 5.182 -1.842 1.185 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.596 -2.614 -0.569 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.579 -0.843 -0.387 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.436 -1.590 -1.757 1.00 0.00 H new ATOM 265 N VAL A 21 5.812 -4.179 0.338 1.00 0.00 N ATOM 266 CA VAL A 21 6.464 -5.466 0.111 1.00 0.00 C ATOM 267 C VAL A 21 6.411 -5.847 -1.375 1.00 0.00 C ATOM 268 O VAL A 21 5.489 -5.445 -2.083 1.00 0.00 O ATOM 269 CB VAL A 21 5.779 -6.532 0.993 1.00 0.00 C ATOM 270 CG1 VAL A 21 6.382 -7.927 0.808 1.00 0.00 C ATOM 271 CG2 VAL A 21 5.953 -6.172 2.470 1.00 0.00 C ATOM 0 H VAL A 21 4.999 -4.236 0.951 1.00 0.00 H new ATOM 0 HA VAL A 21 7.517 -5.401 0.386 1.00 0.00 H new ATOM 0 HB VAL A 21 4.731 -6.548 0.692 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.862 -8.636 1.452 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.274 -8.235 -0.232 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.439 -7.904 1.072 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.468 -6.927 3.088 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.015 -6.132 2.712 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.500 -5.199 2.663 1.00 0.00 H new ATOM 281 N SER A 22 7.380 -6.639 -1.852 1.00 0.00 N ATOM 282 CA SER A 22 7.404 -7.171 -3.204 1.00 0.00 C ATOM 283 C SER A 22 6.721 -8.548 -3.208 1.00 0.00 C ATOM 284 O SER A 22 7.201 -9.468 -2.546 1.00 0.00 O ATOM 285 CB SER A 22 8.863 -7.268 -3.643 1.00 0.00 C ATOM 286 OG SER A 22 9.502 -6.023 -3.455 1.00 0.00 O ATOM 0 H SER A 22 8.181 -6.929 -1.291 1.00 0.00 H new ATOM 0 HA SER A 22 6.866 -6.527 -3.900 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.375 -8.040 -3.069 1.00 0.00 H new ATOM 0 HB3 SER A 22 8.918 -7.561 -4.691 1.00 0.00 H new ATOM 0 HG SER A 22 10.385 -6.041 -3.880 1.00 0.00 H new ATOM 292 N LEU A 23 5.623 -8.702 -3.962 1.00 0.00 N ATOM 293 CA LEU A 23 4.791 -9.912 -4.028 1.00 0.00 C ATOM 294 C LEU A 23 5.581 -11.222 -4.137 1.00 0.00 C ATOM 295 O LEU A 23 5.138 -12.240 -3.613 1.00 0.00 O ATOM 296 CB LEU A 23 3.795 -9.839 -5.208 1.00 0.00 C ATOM 297 CG LEU A 23 2.530 -8.980 -5.033 1.00 0.00 C ATOM 298 CD1 LEU A 23 1.588 -9.542 -3.962 1.00 0.00 C ATOM 299 CD2 LEU A 23 2.825 -7.508 -4.756 1.00 0.00 C ATOM 0 H LEU A 23 5.277 -7.957 -4.567 1.00 0.00 H new ATOM 0 HA LEU A 23 4.263 -9.932 -3.074 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.335 -9.465 -6.078 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.479 -10.856 -5.442 1.00 0.00 H new ATOM 0 HG LEU A 23 2.025 -9.030 -5.998 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.711 -8.901 -3.876 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.276 -10.548 -4.243 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.106 -9.578 -3.004 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.887 -6.964 -4.644 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.408 -7.420 -3.839 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.391 -7.088 -5.587 1.00 0.00 H new ATOM 311 N TRP A 24 6.746 -11.206 -4.790 1.00 0.00 N ATOM 312 CA TRP A 24 7.503 -12.418 -5.091 1.00 0.00 C ATOM 313 C TRP A 24 8.632 -12.678 -4.093 1.00 0.00 C ATOM 314 O TRP A 24 9.244 -13.742 -4.142 1.00 0.00 O ATOM 315 CB TRP A 24 8.054 -12.306 -6.524 1.00 0.00 C ATOM 316 CG TRP A 24 7.155 -11.578 -7.483 1.00 0.00 C ATOM 317 CD1 TRP A 24 7.510 -10.506 -8.226 1.00 0.00 C ATOM 318 CD2 TRP A 24 5.715 -11.729 -7.666 1.00 0.00 C ATOM 319 NE1 TRP A 24 6.390 -9.948 -8.809 1.00 0.00 N ATOM 320 CE2 TRP A 24 5.250 -10.640 -8.458 1.00 0.00 C ATOM 321 CE3 TRP A 24 4.741 -12.624 -7.172 1.00 0.00 C ATOM 322 CZ2 TRP A 24 3.885 -10.420 -8.692 1.00 0.00 C ATOM 323 CZ3 TRP A 24 3.375 -12.447 -7.456 1.00 0.00 C ATOM 324 CH2 TRP A 24 2.944 -11.311 -8.158 1.00 0.00 C ATOM 0 H TRP A 24 7.189 -10.350 -5.124 1.00 0.00 H new ATOM 0 HA TRP A 24 6.830 -13.271 -5.007 1.00 0.00 H new ATOM 0 HB2 TRP A 24 9.017 -11.796 -6.490 1.00 0.00 H new ATOM 0 HB3 TRP A 24 8.238 -13.309 -6.908 1.00 0.00 H new ATOM 0 HD1 TRP A 24 8.519 -10.141 -8.346 1.00 0.00 H new ATOM 0 HE1 TRP A 24 6.404 -9.131 -9.419 1.00 0.00 H new ATOM 0 HE3 TRP A 24 5.051 -13.461 -6.564 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 3.562 -9.572 -9.278 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 2.657 -13.186 -7.133 1.00 0.00 H new ATOM 0 HH2 TRP A 24 1.888 -11.123 -8.287 1.00 0.00 H new ATOM 335 N ILE A 25 8.920 -11.733 -3.192 1.00 0.00 N ATOM 336 CA ILE A 25 9.981 -11.875 -2.212 1.00 0.00 C ATOM 337 C ILE A 25 9.748 -10.901 -1.056 1.00 0.00 C ATOM 338 O ILE A 25 10.084 -9.721 -1.143 1.00 0.00 O ATOM 339 CB ILE A 25 11.360 -11.736 -2.885 1.00 0.00 C ATOM 340 CG1 ILE A 25 12.481 -11.720 -1.833 1.00 0.00 C ATOM 341 CG2 ILE A 25 11.461 -10.512 -3.806 1.00 0.00 C ATOM 342 CD1 ILE A 25 13.856 -12.057 -2.419 1.00 0.00 C ATOM 0 H ILE A 25 8.417 -10.848 -3.129 1.00 0.00 H new ATOM 0 HA ILE A 25 9.967 -12.876 -1.780 1.00 0.00 H new ATOM 0 HB ILE A 25 11.482 -12.612 -3.521 1.00 0.00 H new ATOM 0 HG12 ILE A 25 12.522 -10.735 -1.368 1.00 0.00 H new ATOM 0 HG13 ILE A 25 12.243 -12.435 -1.045 1.00 0.00 H new ATOM 0 HG21 ILE A 25 12.456 -10.471 -4.249 1.00 0.00 H new ATOM 0 HG22 ILE A 25 10.715 -10.589 -4.597 1.00 0.00 H new ATOM 0 HG23 ILE A 25 11.284 -9.606 -3.227 1.00 0.00 H new ATOM 0 HD11 ILE A 25 14.605 -12.030 -1.628 1.00 0.00 H new ATOM 0 HD12 ILE A 25 13.829 -13.054 -2.859 1.00 0.00 H new ATOM 0 HD13 ILE A 25 14.113 -11.328 -3.187 1.00 0.00 H new ATOM 354 N LYS A 26 9.225 -11.422 0.058 1.00 0.00 N ATOM 355 CA LYS A 26 8.936 -10.652 1.263 1.00 0.00 C ATOM 356 C LYS A 26 10.158 -9.893 1.801 1.00 0.00 C ATOM 357 O LYS A 26 10.016 -8.987 2.620 1.00 0.00 O ATOM 358 CB LYS A 26 8.347 -11.570 2.341 1.00 0.00 C ATOM 359 CG LYS A 26 7.019 -12.199 1.892 1.00 0.00 C ATOM 360 CD LYS A 26 6.279 -12.873 3.055 1.00 0.00 C ATOM 361 CE LYS A 26 7.065 -14.052 3.642 1.00 0.00 C ATOM 362 NZ LYS A 26 6.285 -14.752 4.678 1.00 0.00 N ATOM 0 H LYS A 26 8.988 -12.410 0.145 1.00 0.00 H new ATOM 0 HA LYS A 26 8.204 -9.892 0.990 1.00 0.00 H new ATOM 0 HB2 LYS A 26 9.061 -12.359 2.577 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.188 -11.000 3.256 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.383 -11.429 1.455 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.212 -12.934 1.111 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.092 -12.138 3.838 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.307 -13.224 2.709 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.326 -14.750 2.847 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.001 -13.691 4.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.843 -15.544 5.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.057 -14.090 5.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.404 -15.116 4.262 1.00 0.00 H new ATOM 376 N SER A 27 11.364 -10.272 1.372 1.00 0.00 N ATOM 377 CA SER A 27 12.594 -9.629 1.784 1.00 0.00 C ATOM 378 C SER A 27 12.738 -8.242 1.150 1.00 0.00 C ATOM 379 O SER A 27 13.252 -7.331 1.797 1.00 0.00 O ATOM 380 CB SER A 27 13.767 -10.535 1.392 1.00 0.00 C ATOM 381 OG SER A 27 13.435 -11.886 1.654 1.00 0.00 O ATOM 0 H SER A 27 11.505 -11.044 0.721 1.00 0.00 H new ATOM 0 HA SER A 27 12.583 -9.482 2.864 1.00 0.00 H new ATOM 0 HB2 SER A 27 14.001 -10.406 0.335 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.659 -10.254 1.952 1.00 0.00 H new ATOM 0 HG SER A 27 14.186 -12.462 1.401 1.00 0.00 H new ATOM 387 N VAL A 28 12.298 -8.077 -0.104 1.00 0.00 N ATOM 388 CA VAL A 28 12.462 -6.828 -0.840 1.00 0.00 C ATOM 389 C VAL A 28 11.164 -6.030 -0.793 1.00 0.00 C ATOM 390 O VAL A 28 10.062 -6.585 -0.816 1.00 0.00 O ATOM 391 CB VAL A 28 12.909 -7.104 -2.288 1.00 0.00 C ATOM 392 CG1 VAL A 28 13.166 -5.805 -3.066 1.00 0.00 C ATOM 393 CG2 VAL A 28 14.193 -7.945 -2.317 1.00 0.00 C ATOM 0 H VAL A 28 11.820 -8.807 -0.632 1.00 0.00 H new ATOM 0 HA VAL A 28 13.245 -6.233 -0.370 1.00 0.00 H new ATOM 0 HB VAL A 28 12.093 -7.650 -2.762 1.00 0.00 H new ATOM 0 HG11 VAL A 28 13.479 -6.045 -4.082 1.00 0.00 H new ATOM 0 HG12 VAL A 28 12.251 -5.213 -3.099 1.00 0.00 H new ATOM 0 HG13 VAL A 28 13.950 -5.233 -2.570 1.00 0.00 H new ATOM 0 HG21 VAL A 28 14.487 -8.125 -3.351 1.00 0.00 H new ATOM 0 HG22 VAL A 28 14.990 -7.410 -1.802 1.00 0.00 H new ATOM 0 HG23 VAL A 28 14.015 -8.898 -1.819 1.00 0.00 H new ATOM 403 N ARG A 29 11.296 -4.706 -0.748 1.00 0.00 N ATOM 404 CA ARG A 29 10.195 -3.763 -0.694 1.00 0.00 C ATOM 405 C ARG A 29 10.463 -2.746 -1.800 1.00 0.00 C ATOM 406 O ARG A 29 11.622 -2.534 -2.158 1.00 0.00 O ATOM 407 CB ARG A 29 10.093 -3.140 0.712 1.00 0.00 C ATOM 408 CG ARG A 29 10.615 -4.116 1.771 1.00 0.00 C ATOM 409 CD ARG A 29 10.331 -3.678 3.210 1.00 0.00 C ATOM 410 NE ARG A 29 9.443 -4.630 3.887 1.00 0.00 N ATOM 411 CZ ARG A 29 9.670 -5.945 4.048 1.00 0.00 C ATOM 412 NH1 ARG A 29 10.799 -6.519 3.622 1.00 0.00 N ATOM 413 NH2 ARG A 29 8.727 -6.699 4.615 1.00 0.00 N ATOM 0 H ARG A 29 12.208 -4.250 -0.748 1.00 0.00 H new ATOM 0 HA ARG A 29 9.226 -4.232 -0.862 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.667 -2.214 0.748 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.056 -2.881 0.927 1.00 0.00 H new ATOM 0 HG2 ARG A 29 10.164 -5.094 1.603 1.00 0.00 H new ATOM 0 HG3 ARG A 29 11.691 -4.235 1.643 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.268 -3.596 3.760 1.00 0.00 H new ATOM 0 HD3 ARG A 29 9.875 -2.688 3.209 1.00 0.00 H new ATOM 0 HE ARG A 29 8.573 -4.260 4.271 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.515 -5.957 3.162 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.945 -7.519 3.757 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.850 -6.276 4.919 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.883 -7.699 4.745 1.00 0.00 H new ATOM 427 N VAL A 30 9.419 -2.157 -2.379 1.00 0.00 N ATOM 428 CA VAL A 30 9.525 -1.238 -3.497 1.00 0.00 C ATOM 429 C VAL A 30 8.567 -0.057 -3.299 1.00 0.00 C ATOM 430 O VAL A 30 7.491 -0.199 -2.705 1.00 0.00 O ATOM 431 CB VAL A 30 9.259 -1.980 -4.825 1.00 0.00 C ATOM 432 CG1 VAL A 30 10.395 -2.934 -5.212 1.00 0.00 C ATOM 433 CG2 VAL A 30 7.959 -2.797 -4.798 1.00 0.00 C ATOM 0 H VAL A 30 8.458 -2.312 -2.074 1.00 0.00 H new ATOM 0 HA VAL A 30 10.538 -0.838 -3.543 1.00 0.00 H new ATOM 0 HB VAL A 30 9.180 -1.183 -5.564 1.00 0.00 H new ATOM 0 HG11 VAL A 30 10.152 -3.427 -6.153 1.00 0.00 H new ATOM 0 HG12 VAL A 30 11.321 -2.370 -5.326 1.00 0.00 H new ATOM 0 HG13 VAL A 30 10.521 -3.685 -4.432 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.823 -3.297 -5.757 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.014 -3.543 -4.005 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.115 -2.132 -4.613 1.00 0.00 H new ATOM 443 N CYS A 31 8.976 1.118 -3.791 1.00 0.00 N ATOM 444 CA CYS A 31 8.175 2.334 -3.732 1.00 0.00 C ATOM 445 C CYS A 31 6.951 2.135 -4.623 1.00 0.00 C ATOM 446 O CYS A 31 7.002 2.362 -5.828 1.00 0.00 O ATOM 447 CB CYS A 31 8.978 3.565 -4.174 1.00 0.00 C ATOM 448 SG CYS A 31 10.454 3.952 -3.203 1.00 0.00 S ATOM 0 H CYS A 31 9.881 1.247 -4.244 1.00 0.00 H new ATOM 0 HA CYS A 31 7.869 2.518 -2.702 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.279 3.422 -5.212 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.317 4.431 -4.151 1.00 0.00 H new ATOM 453 N THR A 32 5.847 1.708 -4.021 1.00 0.00 N ATOM 454 CA THR A 32 4.596 1.397 -4.691 1.00 0.00 C ATOM 455 C THR A 32 3.679 2.609 -4.523 1.00 0.00 C ATOM 456 O THR A 32 3.692 3.219 -3.456 1.00 0.00 O ATOM 457 CB THR A 32 4.036 0.131 -4.033 1.00 0.00 C ATOM 458 OG1 THR A 32 5.039 -0.866 -4.039 1.00 0.00 O ATOM 459 CG2 THR A 32 2.813 -0.415 -4.768 1.00 0.00 C ATOM 0 H THR A 32 5.800 1.564 -3.012 1.00 0.00 H new ATOM 0 HA THR A 32 4.707 1.204 -5.758 1.00 0.00 H new ATOM 0 HB THR A 32 3.732 0.393 -3.019 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.763 -0.605 -3.432 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.455 -1.312 -4.262 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.025 0.338 -4.773 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.085 -0.662 -5.794 1.00 0.00 H new ATOM 467 N PRO A 33 2.918 3.024 -5.545 1.00 0.00 N ATOM 468 CA PRO A 33 2.105 4.224 -5.446 1.00 0.00 C ATOM 469 C PRO A 33 0.986 4.057 -4.421 1.00 0.00 C ATOM 470 O PRO A 33 0.594 2.931 -4.111 1.00 0.00 O ATOM 471 CB PRO A 33 1.574 4.478 -6.859 1.00 0.00 C ATOM 472 CG PRO A 33 1.542 3.083 -7.482 1.00 0.00 C ATOM 473 CD PRO A 33 2.721 2.363 -6.824 1.00 0.00 C ATOM 0 HA PRO A 33 2.682 5.078 -5.091 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.583 4.932 -6.840 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.224 5.152 -7.417 1.00 0.00 H new ATOM 0 HG2 PRO A 33 0.599 2.575 -7.278 1.00 0.00 H new ATOM 0 HG3 PRO A 33 1.654 3.126 -8.565 1.00 0.00 H new ATOM 0 HD2 PRO A 33 2.507 1.303 -6.688 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.616 2.431 -7.442 1.00 0.00 H new ATOM 481 N VAL A 34 0.493 5.176 -3.872 1.00 0.00 N ATOM 482 CA VAL A 34 -0.657 5.140 -2.970 1.00 0.00 C ATOM 483 C VAL A 34 -1.794 4.330 -3.612 1.00 0.00 C ATOM 484 O VAL A 34 -2.005 4.383 -4.829 1.00 0.00 O ATOM 485 CB VAL A 34 -1.162 6.552 -2.618 1.00 0.00 C ATOM 486 CG1 VAL A 34 -0.392 7.202 -1.464 1.00 0.00 C ATOM 487 CG2 VAL A 34 -1.144 7.478 -3.835 1.00 0.00 C ATOM 0 H VAL A 34 0.872 6.108 -4.038 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.334 4.664 -2.044 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.191 6.414 -2.287 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.799 8.194 -1.268 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.489 6.587 -0.569 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.661 7.288 -1.732 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.507 8.465 -3.547 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.125 7.562 -4.213 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.787 7.068 -4.614 1.00 0.00 H new ATOM 497 N GLY A 35 -2.527 3.587 -2.781 1.00 0.00 N ATOM 498 CA GLY A 35 -3.647 2.766 -3.197 1.00 0.00 C ATOM 499 C GLY A 35 -4.595 3.625 -4.025 1.00 0.00 C ATOM 500 O GLY A 35 -5.182 4.579 -3.516 1.00 0.00 O ATOM 0 H GLY A 35 -2.348 3.544 -1.778 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.297 1.916 -3.783 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.164 2.362 -2.327 1.00 0.00 H new ATOM 504 N THR A 36 -4.711 3.306 -5.311 1.00 0.00 N ATOM 505 CA THR A 36 -5.444 4.095 -6.285 1.00 0.00 C ATOM 506 C THR A 36 -6.837 3.493 -6.495 1.00 0.00 C ATOM 507 O THR A 36 -7.119 2.401 -6.010 1.00 0.00 O ATOM 508 CB THR A 36 -4.603 4.130 -7.577 1.00 0.00 C ATOM 509 OG1 THR A 36 -3.256 3.754 -7.316 1.00 0.00 O ATOM 510 CG2 THR A 36 -4.604 5.523 -8.211 1.00 0.00 C ATOM 0 H THR A 36 -4.285 2.469 -5.710 1.00 0.00 H new ATOM 0 HA THR A 36 -5.602 5.118 -5.944 1.00 0.00 H new ATOM 0 HB THR A 36 -5.059 3.421 -8.268 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.954 4.175 -6.484 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.001 5.510 -9.119 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.626 5.810 -8.458 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.185 6.243 -7.508 1.00 0.00 H new ATOM 518 N SER A 37 -7.721 4.208 -7.191 1.00 0.00 N ATOM 519 CA SER A 37 -9.104 3.828 -7.430 1.00 0.00 C ATOM 520 C SER A 37 -9.268 2.359 -7.838 1.00 0.00 C ATOM 521 O SER A 37 -8.878 1.980 -8.940 1.00 0.00 O ATOM 522 CB SER A 37 -9.645 4.769 -8.510 1.00 0.00 C ATOM 523 OG SER A 37 -9.174 6.082 -8.244 1.00 0.00 O ATOM 0 H SER A 37 -7.479 5.102 -7.618 1.00 0.00 H new ATOM 0 HA SER A 37 -9.668 3.922 -6.502 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.316 4.442 -9.496 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.735 4.752 -8.515 1.00 0.00 H new ATOM 0 HG SER A 37 -9.512 6.696 -8.929 1.00 0.00 H new ATOM 529 N GLY A 38 -9.842 1.538 -6.955 1.00 0.00 N ATOM 530 CA GLY A 38 -10.110 0.130 -7.219 1.00 0.00 C ATOM 531 C GLY A 38 -8.945 -0.800 -6.874 1.00 0.00 C ATOM 532 O GLY A 38 -9.125 -2.016 -6.883 1.00 0.00 O ATOM 0 H GLY A 38 -10.136 1.840 -6.026 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.987 -0.176 -6.648 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.358 0.009 -8.274 1.00 0.00 H new ATOM 536 N GLU A 39 -7.757 -0.268 -6.570 1.00 0.00 N ATOM 537 CA GLU A 39 -6.618 -1.095 -6.202 1.00 0.00 C ATOM 538 C GLU A 39 -6.887 -1.767 -4.856 1.00 0.00 C ATOM 539 O GLU A 39 -7.597 -1.214 -4.012 1.00 0.00 O ATOM 540 CB GLU A 39 -5.336 -0.253 -6.136 1.00 0.00 C ATOM 541 CG GLU A 39 -4.970 0.375 -7.491 1.00 0.00 C ATOM 542 CD GLU A 39 -4.685 -0.667 -8.570 1.00 0.00 C ATOM 543 OE1 GLU A 39 -4.028 -1.676 -8.231 1.00 0.00 O ATOM 544 OE2 GLU A 39 -5.128 -0.435 -9.715 1.00 0.00 O ATOM 0 H GLU A 39 -7.565 0.734 -6.573 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.478 -1.863 -6.963 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.463 0.537 -5.396 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.512 -0.879 -5.796 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.786 1.018 -7.820 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.094 1.011 -7.366 1.00 0.00 H new ATOM 551 N ASP A 40 -6.317 -2.960 -4.664 1.00 0.00 N ATOM 552 CA ASP A 40 -6.460 -3.715 -3.428 1.00 0.00 C ATOM 553 C ASP A 40 -5.843 -2.936 -2.269 1.00 0.00 C ATOM 554 O ASP A 40 -4.855 -2.226 -2.460 1.00 0.00 O ATOM 555 CB ASP A 40 -5.766 -5.077 -3.548 1.00 0.00 C ATOM 556 CG ASP A 40 -6.142 -5.992 -2.385 1.00 0.00 C ATOM 557 OD1 ASP A 40 -7.176 -6.681 -2.519 1.00 0.00 O ATOM 558 OD2 ASP A 40 -5.389 -5.986 -1.388 1.00 0.00 O ATOM 0 H ASP A 40 -5.743 -3.426 -5.367 1.00 0.00 H new ATOM 0 HA ASP A 40 -7.522 -3.872 -3.241 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.045 -5.549 -4.490 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.685 -4.937 -3.569 1.00 0.00 H new ATOM 563 N CYS A 41 -6.405 -3.081 -1.071 1.00 0.00 N ATOM 564 CA CYS A 41 -5.884 -2.446 0.126 1.00 0.00 C ATOM 565 C CYS A 41 -6.030 -3.383 1.305 1.00 0.00 C ATOM 566 O CYS A 41 -6.999 -4.129 1.405 1.00 0.00 O ATOM 567 CB CYS A 41 -6.594 -1.127 0.414 1.00 0.00 C ATOM 568 SG CYS A 41 -8.360 -1.275 0.749 1.00 0.00 S ATOM 0 H CYS A 41 -7.238 -3.646 -0.908 1.00 0.00 H new ATOM 0 HA CYS A 41 -4.829 -2.226 -0.038 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -6.115 -0.652 1.270 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.455 -0.462 -0.438 1.00 0.00 H new ATOM 573 N HIS A 42 -5.063 -3.322 2.212 1.00 0.00 N ATOM 574 CA HIS A 42 -5.087 -4.075 3.444 1.00 0.00 C ATOM 575 C HIS A 42 -5.585 -3.085 4.495 1.00 0.00 C ATOM 576 O HIS A 42 -5.068 -1.967 4.539 1.00 0.00 O ATOM 577 CB HIS A 42 -3.666 -4.554 3.755 1.00 0.00 C ATOM 578 CG HIS A 42 -3.617 -5.537 4.887 1.00 0.00 C ATOM 579 ND1 HIS A 42 -4.070 -5.212 6.164 1.00 0.00 N ATOM 580 CD2 HIS A 42 -3.195 -6.837 4.880 1.00 0.00 C ATOM 581 CE1 HIS A 42 -3.897 -6.329 6.876 1.00 0.00 C ATOM 582 NE2 HIS A 42 -3.387 -7.337 6.151 1.00 0.00 N ATOM 0 H HIS A 42 -4.233 -2.739 2.104 1.00 0.00 H new ATOM 0 HA HIS A 42 -5.724 -4.958 3.405 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -3.239 -5.013 2.863 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.043 -3.694 4.000 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -2.787 -7.373 4.036 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -4.142 -6.412 7.925 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -3.183 -8.282 6.475 1.00 0.00 H new ATOM 590 N PRO A 43 -6.578 -3.423 5.330 1.00 0.00 N ATOM 591 CA PRO A 43 -7.073 -2.494 6.333 1.00 0.00 C ATOM 592 C PRO A 43 -5.953 -1.991 7.257 1.00 0.00 C ATOM 593 O PRO A 43 -6.087 -0.913 7.830 1.00 0.00 O ATOM 594 CB PRO A 43 -8.186 -3.237 7.079 1.00 0.00 C ATOM 595 CG PRO A 43 -7.887 -4.713 6.815 1.00 0.00 C ATOM 596 CD PRO A 43 -7.270 -4.698 5.418 1.00 0.00 C ATOM 0 HA PRO A 43 -7.465 -1.584 5.878 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.171 -3.011 8.145 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.172 -2.957 6.707 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.200 -5.123 7.555 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.792 -5.320 6.849 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.581 -5.532 5.281 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -8.035 -4.787 4.647 1.00 0.00 H new ATOM 604 N ALA A 44 -4.843 -2.733 7.382 1.00 0.00 N ATOM 605 CA ALA A 44 -3.695 -2.336 8.184 1.00 0.00 C ATOM 606 C ALA A 44 -2.568 -1.735 7.329 1.00 0.00 C ATOM 607 O ALA A 44 -1.418 -1.754 7.763 1.00 0.00 O ATOM 608 CB ALA A 44 -3.198 -3.544 8.986 1.00 0.00 C ATOM 0 H ALA A 44 -4.724 -3.635 6.920 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.011 -1.550 8.870 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.338 -3.252 9.589 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.995 -3.900 9.639 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.907 -4.341 8.301 1.00 0.00 H new ATOM 614 N SER A 45 -2.860 -1.205 6.130 1.00 0.00 N ATOM 615 CA SER A 45 -1.865 -0.516 5.322 1.00 0.00 C ATOM 616 C SER A 45 -1.353 0.675 6.139 1.00 0.00 C ATOM 617 O SER A 45 -2.048 1.678 6.278 1.00 0.00 O ATOM 618 CB SER A 45 -2.486 -0.043 4.004 1.00 0.00 C ATOM 619 OG SER A 45 -2.858 -1.134 3.185 1.00 0.00 O ATOM 0 H SER A 45 -3.786 -1.246 5.705 1.00 0.00 H new ATOM 0 HA SER A 45 -1.041 -1.185 5.073 1.00 0.00 H new ATOM 0 HB2 SER A 45 -3.362 0.571 4.213 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.774 0.587 3.471 1.00 0.00 H new ATOM 0 HG SER A 45 -3.706 -1.507 3.503 1.00 0.00 H new ATOM 625 N HIS A 46 -0.143 0.551 6.685 1.00 0.00 N ATOM 626 CA HIS A 46 0.455 1.516 7.606 1.00 0.00 C ATOM 627 C HIS A 46 0.444 2.933 7.051 1.00 0.00 C ATOM 628 O HIS A 46 0.680 3.125 5.857 1.00 0.00 O ATOM 629 CB HIS A 46 1.898 1.132 7.977 1.00 0.00 C ATOM 630 CG HIS A 46 2.193 -0.319 7.794 1.00 0.00 C ATOM 631 ND1 HIS A 46 2.525 -0.862 6.549 1.00 0.00 N ATOM 632 CD2 HIS A 46 1.852 -1.314 8.651 1.00 0.00 C ATOM 633 CE1 HIS A 46 2.404 -2.183 6.730 1.00 0.00 C ATOM 634 NE2 HIS A 46 1.980 -2.504 7.964 1.00 0.00 N ATOM 0 H HIS A 46 0.464 -0.246 6.493 1.00 0.00 H new ATOM 0 HA HIS A 46 -0.165 1.491 8.502 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.589 1.715 7.368 1.00 0.00 H new ATOM 0 HB3 HIS A 46 2.082 1.404 9.016 1.00 0.00 H new ATOM 0 HD2 HIS A 46 1.539 -1.197 9.678 1.00 0.00 H new ATOM 0 HE1 HIS A 46 2.624 -2.913 5.965 1.00 0.00 H new ATOM 0 HE2 HIS A 46 1.791 -3.440 8.322 1.00 0.00 H new ATOM 642 N LYS A 47 0.248 3.914 7.931 1.00 0.00 N ATOM 643 CA LYS A 47 0.253 5.322 7.547 1.00 0.00 C ATOM 644 C LYS A 47 1.578 5.702 6.872 1.00 0.00 C ATOM 645 O LYS A 47 2.540 4.936 6.918 1.00 0.00 O ATOM 646 CB LYS A 47 -0.075 6.207 8.762 1.00 0.00 C ATOM 647 CG LYS A 47 0.912 6.136 9.942 1.00 0.00 C ATOM 648 CD LYS A 47 2.215 6.917 9.705 1.00 0.00 C ATOM 649 CE LYS A 47 2.973 7.114 11.021 1.00 0.00 C ATOM 650 NZ LYS A 47 4.205 7.894 10.812 1.00 0.00 N ATOM 0 H LYS A 47 0.082 3.755 8.925 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.528 5.493 6.806 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.133 7.242 8.426 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.065 5.934 9.127 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.424 6.523 10.836 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.155 5.092 10.139 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.843 6.380 8.994 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.989 7.886 9.261 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.333 7.625 11.740 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.222 6.143 11.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.782 7.870 11.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.745 7.485 10.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.958 8.879 10.588 1.00 0.00 H new ATOM 664 N ILE A 48 1.636 6.865 6.223 1.00 0.00 N ATOM 665 CA ILE A 48 2.849 7.382 5.594 1.00 0.00 C ATOM 666 C ILE A 48 3.324 8.541 6.479 1.00 0.00 C ATOM 667 O ILE A 48 2.483 9.334 6.901 1.00 0.00 O ATOM 668 CB ILE A 48 2.543 7.843 4.151 1.00 0.00 C ATOM 669 CG1 ILE A 48 2.157 6.631 3.283 1.00 0.00 C ATOM 670 CG2 ILE A 48 3.737 8.573 3.512 1.00 0.00 C ATOM 671 CD1 ILE A 48 1.735 7.012 1.859 1.00 0.00 C ATOM 0 H ILE A 48 0.830 7.482 6.119 1.00 0.00 H new ATOM 0 HA ILE A 48 3.628 6.623 5.514 1.00 0.00 H new ATOM 0 HB ILE A 48 1.711 8.545 4.203 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.003 5.946 3.232 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.340 6.094 3.765 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.477 8.879 2.499 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.984 9.454 4.104 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.597 7.904 3.479 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.477 6.111 1.303 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.870 7.673 1.901 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.558 7.523 1.360 1.00 0.00 H new ATOM 683 N PRO A 49 4.628 8.685 6.770 1.00 0.00 N ATOM 684 CA PRO A 49 5.716 7.784 6.423 1.00 0.00 C ATOM 685 C PRO A 49 5.849 6.670 7.469 1.00 0.00 C ATOM 686 O PRO A 49 5.859 6.939 8.668 1.00 0.00 O ATOM 687 CB PRO A 49 6.962 8.671 6.430 1.00 0.00 C ATOM 688 CG PRO A 49 6.661 9.698 7.522 1.00 0.00 C ATOM 689 CD PRO A 49 5.144 9.878 7.425 1.00 0.00 C ATOM 0 HA PRO A 49 5.557 7.293 5.463 1.00 0.00 H new ATOM 0 HB2 PRO A 49 7.862 8.098 6.655 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.121 9.148 5.463 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.962 9.339 8.506 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.190 10.636 7.350 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.703 9.999 8.415 1.00 0.00 H new ATOM 0 HD3 PRO A 49 4.895 10.773 6.854 1.00 0.00 H new ATOM 697 N PHE A 50 5.994 5.423 7.024 1.00 0.00 N ATOM 698 CA PHE A 50 6.216 4.280 7.893 1.00 0.00 C ATOM 699 C PHE A 50 7.714 3.988 7.890 1.00 0.00 C ATOM 700 O PHE A 50 8.225 3.288 7.014 1.00 0.00 O ATOM 701 CB PHE A 50 5.420 3.069 7.401 1.00 0.00 C ATOM 702 CG PHE A 50 5.489 1.878 8.337 1.00 0.00 C ATOM 703 CD1 PHE A 50 4.736 1.877 9.526 1.00 0.00 C ATOM 704 CD2 PHE A 50 6.343 0.797 8.053 1.00 0.00 C ATOM 705 CE1 PHE A 50 4.772 0.763 10.383 1.00 0.00 C ATOM 706 CE2 PHE A 50 6.378 -0.318 8.909 1.00 0.00 C ATOM 707 CZ PHE A 50 5.583 -0.341 10.067 1.00 0.00 C ATOM 0 H PHE A 50 5.959 5.180 6.034 1.00 0.00 H new ATOM 0 HA PHE A 50 5.877 4.495 8.906 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.377 3.358 7.271 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.794 2.773 6.421 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.129 2.734 9.781 1.00 0.00 H new ATOM 0 HD2 PHE A 50 6.973 0.823 7.176 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.177 0.755 11.284 1.00 0.00 H new ATOM 0 HE2 PHE A 50 7.017 -1.157 8.676 1.00 0.00 H new ATOM 0 HZ PHE A 50 5.595 -1.206 10.714 1.00 0.00 H new ATOM 717 N SER A 51 8.427 4.554 8.863 1.00 0.00 N ATOM 718 CA SER A 51 9.864 4.401 9.032 1.00 0.00 C ATOM 719 C SER A 51 10.238 2.992 9.510 1.00 0.00 C ATOM 720 O SER A 51 10.860 2.838 10.558 1.00 0.00 O ATOM 721 CB SER A 51 10.336 5.470 10.024 1.00 0.00 C ATOM 722 OG SER A 51 9.750 6.715 9.695 1.00 0.00 O ATOM 0 H SER A 51 8.004 5.149 9.575 1.00 0.00 H new ATOM 0 HA SER A 51 10.361 4.533 8.071 1.00 0.00 H new ATOM 0 HB2 SER A 51 10.062 5.185 11.040 1.00 0.00 H new ATOM 0 HB3 SER A 51 11.423 5.550 9.998 1.00 0.00 H new ATOM 0 HG SER A 51 10.051 7.397 10.331 1.00 0.00 H new ATOM 728 N GLY A 52 9.876 1.964 8.743 1.00 0.00 N ATOM 729 CA GLY A 52 10.159 0.577 9.050 1.00 0.00 C ATOM 730 C GLY A 52 9.857 -0.280 7.827 1.00 0.00 C ATOM 731 O GLY A 52 9.408 0.225 6.798 1.00 0.00 O ATOM 0 H GLY A 52 9.364 2.085 7.869 1.00 0.00 H new ATOM 0 HA2 GLY A 52 11.203 0.462 9.340 1.00 0.00 H new ATOM 0 HA3 GLY A 52 9.555 0.249 9.896 1.00 0.00 H new ATOM 735 N GLN A 53 10.100 -1.583 7.948 1.00 0.00 N ATOM 736 CA GLN A 53 9.883 -2.542 6.880 1.00 0.00 C ATOM 737 C GLN A 53 8.401 -2.919 6.869 1.00 0.00 C ATOM 738 O GLN A 53 7.963 -3.720 7.693 1.00 0.00 O ATOM 739 CB GLN A 53 10.780 -3.769 7.108 1.00 0.00 C ATOM 740 CG GLN A 53 12.262 -3.502 6.797 1.00 0.00 C ATOM 741 CD GLN A 53 12.887 -2.440 7.697 1.00 0.00 C ATOM 742 OE1 GLN A 53 13.186 -2.699 8.857 1.00 0.00 O ATOM 743 NE2 GLN A 53 13.072 -1.226 7.186 1.00 0.00 N ATOM 0 H GLN A 53 10.458 -2.003 8.805 1.00 0.00 H new ATOM 0 HA GLN A 53 10.144 -2.117 5.911 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.686 -4.092 8.145 1.00 0.00 H new ATOM 0 HB3 GLN A 53 10.427 -4.590 6.484 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.821 -4.432 6.902 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.357 -3.189 5.757 1.00 0.00 H new ATOM 0 HE21 GLN A 53 12.815 -1.036 6.217 1.00 0.00 H new ATOM 0 HE22 GLN A 53 13.471 -0.485 7.763 1.00 0.00 H new ATOM 752 N ARG A 54 7.616 -2.304 5.979 1.00 0.00 N ATOM 753 CA ARG A 54 6.196 -2.614 5.844 1.00 0.00 C ATOM 754 C ARG A 54 6.017 -4.112 5.617 1.00 0.00 C ATOM 755 O ARG A 54 6.821 -4.718 4.916 1.00 0.00 O ATOM 756 CB ARG A 54 5.598 -1.870 4.647 1.00 0.00 C ATOM 757 CG ARG A 54 5.542 -0.363 4.886 1.00 0.00 C ATOM 758 CD ARG A 54 4.827 0.311 3.716 1.00 0.00 C ATOM 759 NE ARG A 54 4.547 1.718 4.012 1.00 0.00 N ATOM 760 CZ ARG A 54 3.390 2.172 4.512 1.00 0.00 C ATOM 761 NH1 ARG A 54 2.418 1.319 4.846 1.00 0.00 N ATOM 762 NH2 ARG A 54 3.203 3.475 4.699 1.00 0.00 N ATOM 0 H ARG A 54 7.947 -1.583 5.338 1.00 0.00 H new ATOM 0 HA ARG A 54 5.689 -2.305 6.758 1.00 0.00 H new ATOM 0 HB2 ARG A 54 6.193 -2.075 3.757 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.593 -2.245 4.451 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.018 -0.151 5.818 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.550 0.038 4.989 1.00 0.00 H new ATOM 0 HD2 ARG A 54 5.443 0.240 2.819 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.895 -0.212 3.505 1.00 0.00 H new ATOM 0 HE ARG A 54 5.283 2.399 3.825 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.554 0.316 4.721 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.539 1.671 5.226 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.943 4.136 4.461 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.320 3.814 5.080 1.00 0.00 H new ATOM 776 N MET A 55 4.957 -4.707 6.169 1.00 0.00 N ATOM 777 CA MET A 55 4.684 -6.132 6.019 1.00 0.00 C ATOM 778 C MET A 55 3.454 -6.370 5.134 1.00 0.00 C ATOM 779 O MET A 55 2.796 -7.399 5.260 1.00 0.00 O ATOM 780 CB MET A 55 4.559 -6.756 7.419 1.00 0.00 C ATOM 781 CG MET A 55 4.932 -8.247 7.446 1.00 0.00 C ATOM 782 SD MET A 55 6.599 -8.702 6.877 1.00 0.00 S ATOM 783 CE MET A 55 7.619 -7.553 7.828 1.00 0.00 C ATOM 0 H MET A 55 4.266 -4.211 6.732 1.00 0.00 H new ATOM 0 HA MET A 55 5.508 -6.624 5.503 1.00 0.00 H new ATOM 0 HB2 MET A 55 5.202 -6.213 8.112 1.00 0.00 H new ATOM 0 HB3 MET A 55 3.535 -6.636 7.774 1.00 0.00 H new ATOM 0 HG2 MET A 55 4.816 -8.605 8.469 1.00 0.00 H new ATOM 0 HG3 MET A 55 4.208 -8.787 6.835 1.00 0.00 H new ATOM 0 HE1 MET A 55 8.671 -7.805 7.695 1.00 0.00 H new ATOM 0 HE2 MET A 55 7.442 -6.535 7.479 1.00 0.00 H new ATOM 0 HE3 MET A 55 7.360 -7.625 8.884 1.00 0.00 H new ATOM 793 N HIS A 56 3.147 -5.429 4.232 1.00 0.00 N ATOM 794 CA HIS A 56 2.026 -5.514 3.305 1.00 0.00 C ATOM 795 C HIS A 56 2.450 -4.945 1.951 1.00 0.00 C ATOM 796 O HIS A 56 3.341 -4.097 1.877 1.00 0.00 O ATOM 797 CB HIS A 56 0.800 -4.766 3.855 1.00 0.00 C ATOM 798 CG HIS A 56 0.314 -5.272 5.187 1.00 0.00 C ATOM 799 ND1 HIS A 56 0.206 -4.429 6.292 1.00 0.00 N ATOM 800 CD2 HIS A 56 -0.050 -6.537 5.559 1.00 0.00 C ATOM 801 CE1 HIS A 56 -0.224 -5.215 7.280 1.00 0.00 C ATOM 802 NE2 HIS A 56 -0.368 -6.494 6.900 1.00 0.00 N ATOM 0 H HIS A 56 3.688 -4.570 4.129 1.00 0.00 H new ATOM 0 HA HIS A 56 1.742 -6.559 3.182 1.00 0.00 H new ATOM 0 HB2 HIS A 56 1.046 -3.708 3.949 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -0.012 -4.842 3.132 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -0.082 -7.408 4.921 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -0.434 -4.860 8.278 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -0.655 -7.278 7.486 1.00 0.00 H new ATOM 810 N HIS A 57 1.819 -5.433 0.881 1.00 0.00 N ATOM 811 CA HIS A 57 2.086 -5.017 -0.492 1.00 0.00 C ATOM 812 C HIS A 57 1.276 -3.786 -0.884 1.00 0.00 C ATOM 813 O HIS A 57 1.563 -3.163 -1.904 1.00 0.00 O ATOM 814 CB HIS A 57 1.731 -6.154 -1.448 1.00 0.00 C ATOM 815 CG HIS A 57 2.352 -7.453 -1.036 1.00 0.00 C ATOM 816 ND1 HIS A 57 1.668 -8.328 -0.202 1.00 0.00 N ATOM 817 CD2 HIS A 57 3.598 -7.956 -1.286 1.00 0.00 C ATOM 818 CE1 HIS A 57 2.525 -9.332 -0.021 1.00 0.00 C ATOM 819 NE2 HIS A 57 3.695 -9.165 -0.644 1.00 0.00 N ATOM 0 H HIS A 57 1.092 -6.145 0.950 1.00 0.00 H new ATOM 0 HA HIS A 57 3.145 -4.768 -0.557 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.648 -6.268 -1.489 1.00 0.00 H new ATOM 0 HB3 HIS A 57 2.063 -5.898 -2.454 1.00 0.00 H new ATOM 0 HD2 HIS A 57 4.367 -7.487 -1.881 1.00 0.00 H new ATOM 0 HE1 HIS A 57 2.295 -10.202 0.576 1.00 0.00 H new ATOM 0 HE2 HIS A 57 4.492 -9.802 -0.643 1.00 0.00 H new ATOM 827 N THR A 58 0.249 -3.445 -0.103 1.00 0.00 N ATOM 828 CA THR A 58 -0.633 -2.342 -0.416 1.00 0.00 C ATOM 829 C THR A 58 -0.244 -1.106 0.391 1.00 0.00 C ATOM 830 O THR A 58 0.053 -1.206 1.581 1.00 0.00 O ATOM 831 CB THR A 58 -2.088 -2.763 -0.169 1.00 0.00 C ATOM 832 OG1 THR A 58 -2.373 -2.942 1.211 1.00 0.00 O ATOM 833 CG2 THR A 58 -2.421 -4.092 -0.868 1.00 0.00 C ATOM 0 H THR A 58 0.014 -3.932 0.762 1.00 0.00 H new ATOM 0 HA THR A 58 -0.536 -2.078 -1.469 1.00 0.00 H new ATOM 0 HB THR A 58 -2.691 -1.950 -0.573 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.494 -2.067 1.636 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.460 -4.357 -0.670 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.272 -3.985 -1.943 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.767 -4.877 -0.488 1.00 0.00 H new ATOM 841 N CYS A 59 -0.275 0.061 -0.251 1.00 0.00 N ATOM 842 CA CYS A 59 0.008 1.341 0.381 1.00 0.00 C ATOM 843 C CYS A 59 -1.331 1.987 0.711 1.00 0.00 C ATOM 844 O CYS A 59 -2.330 1.631 0.083 1.00 0.00 O ATOM 845 CB CYS A 59 0.766 2.248 -0.595 1.00 0.00 C ATOM 846 SG CYS A 59 2.466 1.765 -0.921 1.00 0.00 S ATOM 0 H CYS A 59 -0.502 0.141 -1.242 1.00 0.00 H new ATOM 0 HA CYS A 59 0.614 1.198 1.275 1.00 0.00 H new ATOM 0 HB2 CYS A 59 0.224 2.272 -1.540 1.00 0.00 H new ATOM 0 HB3 CYS A 59 0.763 3.264 -0.200 1.00 0.00 H new ATOM 851 N PRO A 60 -1.390 2.913 1.683 1.00 0.00 N ATOM 852 CA PRO A 60 -2.626 3.592 2.011 1.00 0.00 C ATOM 853 C PRO A 60 -3.293 4.187 0.785 1.00 0.00 C ATOM 854 O PRO A 60 -2.645 4.542 -0.199 1.00 0.00 O ATOM 855 CB PRO A 60 -2.278 4.691 3.004 1.00 0.00 C ATOM 856 CG PRO A 60 -1.095 4.068 3.718 1.00 0.00 C ATOM 857 CD PRO A 60 -0.346 3.332 2.603 1.00 0.00 C ATOM 0 HA PRO A 60 -3.335 2.880 2.432 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -2.016 5.626 2.509 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -3.102 4.910 3.683 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -0.468 4.825 4.190 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -1.416 3.384 4.504 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.378 3.983 2.113 1.00 0.00 H new ATOM 0 HD3 PRO A 60 0.207 2.477 2.993 1.00 0.00 H new ATOM 865 N CYS A 61 -4.608 4.294 0.888 1.00 0.00 N ATOM 866 CA CYS A 61 -5.452 4.797 -0.176 1.00 0.00 C ATOM 867 C CYS A 61 -5.160 6.277 -0.398 1.00 0.00 C ATOM 868 O CYS A 61 -4.933 7.011 0.564 1.00 0.00 O ATOM 869 CB CYS A 61 -6.918 4.522 0.163 1.00 0.00 C ATOM 870 SG CYS A 61 -7.374 2.776 0.266 1.00 0.00 S ATOM 0 H CYS A 61 -5.124 4.029 1.727 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.239 4.284 -1.114 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -7.148 4.997 1.116 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -7.544 5.000 -0.591 1.00 0.00 H new ATOM 875 N ALA A 62 -5.122 6.711 -1.663 1.00 0.00 N ATOM 876 CA ALA A 62 -4.876 8.109 -1.998 1.00 0.00 C ATOM 877 C ALA A 62 -5.897 8.979 -1.250 1.00 0.00 C ATOM 878 O ALA A 62 -7.033 8.542 -1.121 1.00 0.00 O ATOM 879 CB ALA A 62 -4.974 8.308 -3.513 1.00 0.00 C ATOM 0 H ALA A 62 -5.260 6.106 -2.473 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.872 8.402 -1.693 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.789 9.355 -3.755 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.232 7.684 -4.011 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.971 8.028 -3.853 1.00 0.00 H new ATOM 885 N PRO A 63 -5.547 10.191 -0.787 1.00 0.00 N ATOM 886 CA PRO A 63 -6.395 11.054 0.037 1.00 0.00 C ATOM 887 C PRO A 63 -7.922 11.055 -0.188 1.00 0.00 C ATOM 888 O PRO A 63 -8.666 11.084 0.791 1.00 0.00 O ATOM 889 CB PRO A 63 -5.759 12.444 -0.048 1.00 0.00 C ATOM 890 CG PRO A 63 -4.271 12.100 -0.142 1.00 0.00 C ATOM 891 CD PRO A 63 -4.244 10.818 -0.980 1.00 0.00 C ATOM 0 HA PRO A 63 -6.402 10.634 1.043 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -6.106 13.000 -0.919 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.984 13.051 0.829 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.705 12.901 -0.618 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.834 11.943 0.844 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -4.070 11.042 -2.032 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.440 10.157 -0.657 1.00 0.00 H new ATOM 899 N ASN A 64 -8.427 11.058 -1.430 1.00 0.00 N ATOM 900 CA ASN A 64 -9.878 11.024 -1.648 1.00 0.00 C ATOM 901 C ASN A 64 -10.453 9.637 -1.348 1.00 0.00 C ATOM 902 O ASN A 64 -11.600 9.506 -0.936 1.00 0.00 O ATOM 903 CB ASN A 64 -10.238 11.416 -3.088 1.00 0.00 C ATOM 904 CG ASN A 64 -11.714 11.136 -3.368 1.00 0.00 C ATOM 905 OD1 ASN A 64 -12.060 10.163 -4.032 1.00 0.00 O ATOM 906 ND2 ASN A 64 -12.579 11.972 -2.816 1.00 0.00 N ATOM 0 H ASN A 64 -7.866 11.083 -2.281 1.00 0.00 H new ATOM 0 HA ASN A 64 -10.316 11.749 -0.962 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -10.026 12.473 -3.247 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.617 10.858 -3.789 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -13.581 11.821 -2.934 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -12.244 12.767 -2.272 1.00 0.00 H new ATOM 913 N LEU A 65 -9.674 8.596 -1.608 1.00 0.00 N ATOM 914 CA LEU A 65 -10.045 7.221 -1.463 1.00 0.00 C ATOM 915 C LEU A 65 -9.908 6.745 -0.013 1.00 0.00 C ATOM 916 O LEU A 65 -9.192 7.338 0.792 1.00 0.00 O ATOM 917 CB LEU A 65 -9.129 6.422 -2.389 1.00 0.00 C ATOM 918 CG LEU A 65 -8.983 6.950 -3.826 1.00 0.00 C ATOM 919 CD1 LEU A 65 -8.026 6.041 -4.588 1.00 0.00 C ATOM 920 CD2 LEU A 65 -10.318 6.977 -4.561 1.00 0.00 C ATOM 0 H LEU A 65 -8.717 8.709 -1.943 1.00 0.00 H new ATOM 0 HA LEU A 65 -11.093 7.081 -1.727 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.138 6.381 -1.937 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.500 5.398 -2.437 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.604 7.970 -3.773 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.914 6.405 -5.609 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.054 6.040 -4.094 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.424 5.027 -4.606 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.169 7.356 -5.572 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.728 5.968 -4.609 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -11.013 7.626 -4.029 1.00 0.00 H new ATOM 932 N ALA A 66 -10.594 5.650 0.311 1.00 0.00 N ATOM 933 CA ALA A 66 -10.597 4.984 1.603 1.00 0.00 C ATOM 934 C ALA A 66 -10.600 3.477 1.359 1.00 0.00 C ATOM 935 O ALA A 66 -11.106 3.023 0.331 1.00 0.00 O ATOM 936 CB ALA A 66 -11.836 5.398 2.399 1.00 0.00 C ATOM 0 H ALA A 66 -11.197 5.180 -0.365 1.00 0.00 H new ATOM 0 HA ALA A 66 -9.715 5.265 2.178 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.832 4.895 3.366 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -11.827 6.477 2.551 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -12.733 5.117 1.848 1.00 0.00 H new ATOM 942 N CYS A 67 -10.038 2.704 2.295 1.00 0.00 N ATOM 943 CA CYS A 67 -9.970 1.253 2.179 1.00 0.00 C ATOM 944 C CYS A 67 -11.311 0.648 2.593 1.00 0.00 C ATOM 945 O CYS A 67 -11.571 0.494 3.785 1.00 0.00 O ATOM 946 CB CYS A 67 -8.818 0.697 3.028 1.00 0.00 C ATOM 947 SG CYS A 67 -8.574 -1.078 2.809 1.00 0.00 S ATOM 0 H CYS A 67 -9.620 3.071 3.150 1.00 0.00 H new ATOM 0 HA CYS A 67 -9.771 0.980 1.143 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -7.897 1.220 2.768 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -9.016 0.904 4.080 1.00 0.00 H new ATOM 952 N VAL A 68 -12.173 0.336 1.622 1.00 0.00 N ATOM 953 CA VAL A 68 -13.515 -0.190 1.854 1.00 0.00 C ATOM 954 C VAL A 68 -13.553 -1.658 1.432 1.00 0.00 C ATOM 955 O VAL A 68 -12.785 -2.082 0.572 1.00 0.00 O ATOM 956 CB VAL A 68 -14.541 0.647 1.068 1.00 0.00 C ATOM 957 CG1 VAL A 68 -15.989 0.218 1.340 1.00 0.00 C ATOM 958 CG2 VAL A 68 -14.423 2.141 1.402 1.00 0.00 C ATOM 0 H VAL A 68 -11.950 0.445 0.633 1.00 0.00 H new ATOM 0 HA VAL A 68 -13.770 -0.126 2.912 1.00 0.00 H new ATOM 0 HB VAL A 68 -14.308 0.473 0.017 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -16.669 0.842 0.760 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -16.120 -0.825 1.052 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -16.209 0.332 2.401 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -15.162 2.701 0.829 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -14.600 2.291 2.467 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -13.423 2.493 1.147 1.00 0.00 H new ATOM 968 N GLN A 69 -14.441 -2.440 2.044 1.00 0.00 N ATOM 969 CA GLN A 69 -14.619 -3.850 1.721 1.00 0.00 C ATOM 970 C GLN A 69 -15.693 -4.023 0.640 1.00 0.00 C ATOM 971 O GLN A 69 -16.733 -3.367 0.662 1.00 0.00 O ATOM 972 CB GLN A 69 -14.809 -4.718 2.984 1.00 0.00 C ATOM 973 CG GLN A 69 -15.484 -4.012 4.168 1.00 0.00 C ATOM 974 CD GLN A 69 -16.751 -3.334 3.697 1.00 0.00 C ATOM 975 OE1 GLN A 69 -16.843 -2.111 3.719 1.00 0.00 O ATOM 976 NE2 GLN A 69 -17.634 -4.121 3.103 1.00 0.00 N ATOM 0 H GLN A 69 -15.061 -2.108 2.783 1.00 0.00 H new ATOM 0 HA GLN A 69 -13.698 -4.234 1.282 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -15.402 -5.593 2.718 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -13.833 -5.080 3.306 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -15.715 -4.734 4.951 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -14.806 -3.277 4.602 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -17.506 -5.133 3.117 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -18.443 -3.716 2.631 1.00 0.00 H new ATOM 985 N THR A 70 -15.415 -4.888 -0.337 1.00 0.00 N ATOM 986 CA THR A 70 -16.349 -5.254 -1.398 1.00 0.00 C ATOM 987 C THR A 70 -16.992 -6.601 -1.048 1.00 0.00 C ATOM 988 O THR A 70 -18.098 -6.917 -1.485 1.00 0.00 O ATOM 989 CB THR A 70 -15.639 -5.261 -2.761 1.00 0.00 C ATOM 990 OG1 THR A 70 -14.531 -6.138 -2.784 1.00 0.00 O ATOM 991 CG2 THR A 70 -15.154 -3.854 -3.121 1.00 0.00 C ATOM 0 H THR A 70 -14.515 -5.362 -0.412 1.00 0.00 H new ATOM 0 HA THR A 70 -17.146 -4.515 -1.478 1.00 0.00 H new ATOM 0 HB THR A 70 -16.371 -5.608 -3.490 1.00 0.00 H new ATOM 0 HG1 THR A 70 -13.949 -5.950 -2.018 1.00 0.00 H new ATOM 0 HG21 THR A 70 -14.654 -3.878 -4.089 1.00 0.00 H new ATOM 0 HG22 THR A 70 -16.007 -3.177 -3.170 1.00 0.00 H new ATOM 0 HG23 THR A 70 -14.456 -3.504 -2.361 1.00 0.00 H new ATOM 999 N SER A 71 -16.283 -7.409 -0.259 1.00 0.00 N ATOM 1000 CA SER A 71 -16.663 -8.694 0.307 1.00 0.00 C ATOM 1001 C SER A 71 -15.589 -8.968 1.371 1.00 0.00 C ATOM 1002 O SER A 71 -14.650 -8.174 1.486 1.00 0.00 O ATOM 1003 CB SER A 71 -16.811 -9.784 -0.767 1.00 0.00 C ATOM 1004 OG SER A 71 -16.776 -9.283 -2.088 1.00 0.00 O ATOM 0 H SER A 71 -15.338 -7.151 0.024 1.00 0.00 H new ATOM 0 HA SER A 71 -17.654 -8.689 0.760 1.00 0.00 H new ATOM 0 HB2 SER A 71 -16.013 -10.516 -0.643 1.00 0.00 H new ATOM 0 HB3 SER A 71 -17.753 -10.311 -0.611 1.00 0.00 H new ATOM 0 HG SER A 71 -16.873 -10.024 -2.722 1.00 0.00 H new ATOM 1010 N PRO A 72 -15.708 -10.029 2.179 1.00 0.00 N ATOM 1011 CA PRO A 72 -14.745 -10.297 3.232 1.00 0.00 C ATOM 1012 C PRO A 72 -13.374 -10.525 2.595 1.00 0.00 C ATOM 1013 O PRO A 72 -13.287 -11.145 1.536 1.00 0.00 O ATOM 1014 CB PRO A 72 -15.292 -11.499 4.006 1.00 0.00 C ATOM 1015 CG PRO A 72 -16.237 -12.191 3.022 1.00 0.00 C ATOM 1016 CD PRO A 72 -16.695 -11.083 2.071 1.00 0.00 C ATOM 0 HA PRO A 72 -14.609 -9.472 3.932 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -14.490 -12.166 4.322 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -15.818 -11.185 4.907 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.729 -12.990 2.482 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -17.084 -12.643 3.539 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -16.762 -11.451 1.047 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -17.685 -10.719 2.344 1.00 0.00 H new ATOM 1024 N LYS A 73 -12.321 -9.952 3.191 1.00 0.00 N ATOM 1025 CA LYS A 73 -10.940 -9.970 2.706 1.00 0.00 C ATOM 1026 C LYS A 73 -10.748 -9.050 1.489 1.00 0.00 C ATOM 1027 O LYS A 73 -9.746 -8.340 1.405 1.00 0.00 O ATOM 1028 CB LYS A 73 -10.429 -11.394 2.429 1.00 0.00 C ATOM 1029 CG LYS A 73 -10.628 -12.319 3.639 1.00 0.00 C ATOM 1030 CD LYS A 73 -9.949 -13.682 3.448 1.00 0.00 C ATOM 1031 CE LYS A 73 -10.577 -14.485 2.302 1.00 0.00 C ATOM 1032 NZ LYS A 73 -10.025 -15.850 2.241 1.00 0.00 N ATOM 0 H LYS A 73 -12.416 -9.439 4.067 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.326 -9.572 3.514 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -10.953 -11.806 1.567 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.371 -11.356 2.171 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.227 -11.838 4.531 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.694 -12.467 3.809 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.888 -13.533 3.247 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -10.020 -14.255 4.373 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.657 -14.533 2.438 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -10.397 -13.975 1.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -10.468 -16.369 1.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -8.997 -15.802 2.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -10.219 -16.343 3.136 1.00 0.00 H new ATOM 1046 N LYS A 74 -11.701 -9.047 0.553 1.00 0.00 N ATOM 1047 CA LYS A 74 -11.681 -8.240 -0.657 1.00 0.00 C ATOM 1048 C LYS A 74 -11.842 -6.749 -0.336 1.00 0.00 C ATOM 1049 O LYS A 74 -12.895 -6.151 -0.575 1.00 0.00 O ATOM 1050 CB LYS A 74 -12.768 -8.737 -1.619 1.00 0.00 C ATOM 1051 CG LYS A 74 -12.612 -10.227 -1.946 1.00 0.00 C ATOM 1052 CD LYS A 74 -13.616 -10.608 -3.039 1.00 0.00 C ATOM 1053 CE LYS A 74 -13.736 -12.128 -3.195 1.00 0.00 C ATOM 1054 NZ LYS A 74 -12.449 -12.749 -3.553 1.00 0.00 N ATOM 0 H LYS A 74 -12.535 -9.630 0.625 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.711 -8.350 -1.143 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -13.749 -8.564 -1.177 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.727 -8.158 -2.541 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.595 -10.434 -2.280 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -12.782 -10.828 -1.053 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -14.593 -10.189 -2.798 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -13.306 -10.168 -3.987 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -14.101 -12.560 -2.263 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -14.475 -12.356 -3.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.597 -13.756 -3.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.055 -12.274 -4.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -11.786 -12.656 -2.758 1.00 0.00 H new ATOM 1068 N PHE A 75 -10.767 -6.141 0.163 1.00 0.00 N ATOM 1069 CA PHE A 75 -10.689 -4.734 0.523 1.00 0.00 C ATOM 1070 C PHE A 75 -10.014 -3.964 -0.614 1.00 0.00 C ATOM 1071 O PHE A 75 -8.953 -4.366 -1.092 1.00 0.00 O ATOM 1072 CB PHE A 75 -9.908 -4.585 1.832 1.00 0.00 C ATOM 1073 CG PHE A 75 -10.739 -4.648 3.096 1.00 0.00 C ATOM 1074 CD1 PHE A 75 -11.278 -3.462 3.632 1.00 0.00 C ATOM 1075 CD2 PHE A 75 -10.849 -5.852 3.814 1.00 0.00 C ATOM 1076 CE1 PHE A 75 -11.905 -3.477 4.889 1.00 0.00 C ATOM 1077 CE2 PHE A 75 -11.491 -5.870 5.065 1.00 0.00 C ATOM 1078 CZ PHE A 75 -12.013 -4.681 5.606 1.00 0.00 C ATOM 0 H PHE A 75 -9.893 -6.639 0.333 1.00 0.00 H new ATOM 0 HA PHE A 75 -11.688 -4.326 0.674 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -9.152 -5.369 1.875 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -9.379 -3.632 1.813 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -11.209 -2.539 3.075 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -10.440 -6.764 3.404 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -12.304 -2.563 5.304 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -11.583 -6.797 5.611 1.00 0.00 H new ATOM 0 HZ PHE A 75 -12.496 -4.693 6.572 1.00 0.00 H new ATOM 1088 N LYS A 76 -10.641 -2.869 -1.062 1.00 0.00 N ATOM 1089 CA LYS A 76 -10.163 -2.038 -2.158 1.00 0.00 C ATOM 1090 C LYS A 76 -10.293 -0.552 -1.820 1.00 0.00 C ATOM 1091 O LYS A 76 -11.094 -0.158 -0.970 1.00 0.00 O ATOM 1092 CB LYS A 76 -10.949 -2.346 -3.437 1.00 0.00 C ATOM 1093 CG LYS A 76 -10.907 -3.833 -3.805 1.00 0.00 C ATOM 1094 CD LYS A 76 -11.570 -4.028 -5.172 1.00 0.00 C ATOM 1095 CE LYS A 76 -11.581 -5.498 -5.608 1.00 0.00 C ATOM 1096 NZ LYS A 76 -12.266 -6.366 -4.634 1.00 0.00 N ATOM 0 H LYS A 76 -11.516 -2.534 -0.658 1.00 0.00 H new ATOM 0 HA LYS A 76 -9.109 -2.266 -2.316 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.986 -2.036 -3.306 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.542 -1.759 -4.260 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.876 -4.185 -3.833 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.424 -4.423 -3.048 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.593 -3.655 -5.134 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.042 -3.434 -5.918 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -12.074 -5.584 -6.577 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.556 -5.843 -5.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.653 -7.199 -5.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.589 -6.675 -3.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -13.041 -5.838 -4.183 1.00 0.00 H new ATOM 1110 N CYS A 77 -9.496 0.275 -2.496 1.00 0.00 N ATOM 1111 CA CYS A 77 -9.500 1.719 -2.299 1.00 0.00 C ATOM 1112 C CYS A 77 -10.627 2.340 -3.118 1.00 0.00 C ATOM 1113 O CYS A 77 -10.522 2.401 -4.343 1.00 0.00 O ATOM 1114 CB CYS A 77 -8.151 2.325 -2.691 1.00 0.00 C ATOM 1115 SG CYS A 77 -6.789 1.970 -1.565 1.00 0.00 S ATOM 0 H CYS A 77 -8.828 -0.042 -3.198 1.00 0.00 H new ATOM 0 HA CYS A 77 -9.666 1.932 -1.243 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -7.884 1.963 -3.684 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -8.266 3.406 -2.766 1.00 0.00 H new ATOM 1120 N LEU A 78 -11.696 2.800 -2.458 1.00 0.00 N ATOM 1121 CA LEU A 78 -12.854 3.419 -3.103 1.00 0.00 C ATOM 1122 C LEU A 78 -13.009 4.861 -2.624 1.00 0.00 C ATOM 1123 O LEU A 78 -12.586 5.200 -1.523 1.00 0.00 O ATOM 1124 CB LEU A 78 -14.128 2.612 -2.819 1.00 0.00 C ATOM 1125 CG LEU A 78 -14.068 1.156 -3.315 1.00 0.00 C ATOM 1126 CD1 LEU A 78 -15.390 0.452 -2.988 1.00 0.00 C ATOM 1127 CD2 LEU A 78 -13.837 1.075 -4.829 1.00 0.00 C ATOM 0 H LEU A 78 -11.780 2.750 -1.443 1.00 0.00 H new ATOM 0 HA LEU A 78 -12.693 3.425 -4.181 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -14.315 2.612 -1.745 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -14.975 3.111 -3.290 1.00 0.00 H new ATOM 0 HG LEU A 78 -13.231 0.672 -2.811 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -15.349 -0.579 -3.339 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -15.551 0.463 -1.910 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -16.211 0.971 -3.483 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -13.801 0.030 -5.136 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -14.652 1.578 -5.349 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -12.893 1.559 -5.079 1.00 0.00 H new ATOM 1139 N SER A 79 -13.596 5.706 -3.472 1.00 0.00 N ATOM 1140 CA SER A 79 -13.766 7.138 -3.262 1.00 0.00 C ATOM 1141 C SER A 79 -14.631 7.531 -2.064 1.00 0.00 C ATOM 1142 O SER A 79 -15.342 6.710 -1.488 1.00 0.00 O ATOM 1143 CB SER A 79 -14.348 7.728 -4.551 1.00 0.00 C ATOM 1144 OG SER A 79 -13.641 7.203 -5.661 1.00 0.00 O ATOM 0 H SER A 79 -13.982 5.394 -4.363 1.00 0.00 H new ATOM 0 HA SER A 79 -12.782 7.542 -3.023 1.00 0.00 H new ATOM 0 HB2 SER A 79 -15.408 7.485 -4.631 1.00 0.00 H new ATOM 0 HB3 SER A 79 -14.270 8.815 -4.536 1.00 0.00 H new ATOM 0 HG SER A 79 -14.010 7.575 -6.489 1.00 0.00 H new ATOM 1150 N LYS A 80 -14.557 8.821 -1.733 1.00 0.00 N ATOM 1151 CA LYS A 80 -15.346 9.529 -0.745 1.00 0.00 C ATOM 1152 C LYS A 80 -15.811 10.798 -1.462 1.00 0.00 C ATOM 1153 O LYS A 80 -16.839 11.362 -1.034 1.00 0.00 O ATOM 1154 CB LYS A 80 -14.499 9.911 0.477 1.00 0.00 C ATOM 1155 CG LYS A 80 -13.917 8.695 1.211 1.00 0.00 C ATOM 1156 CD LYS A 80 -13.237 9.081 2.538 1.00 0.00 C ATOM 1157 CE LYS A 80 -11.746 9.439 2.412 1.00 0.00 C ATOM 1158 NZ LYS A 80 -11.510 10.675 1.649 1.00 0.00 N ATOM 1159 OXT LYS A 80 -15.108 11.182 -2.430 1.00 0.00 O ATOM 0 H LYS A 80 -13.888 9.440 -2.190 1.00 0.00 H new ATOM 0 HA LYS A 80 -16.169 8.916 -0.377 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -13.683 10.560 0.158 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -15.112 10.487 1.170 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -14.714 7.978 1.409 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -13.193 8.197 0.566 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -13.766 9.931 2.969 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -13.341 8.253 3.239 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -11.319 9.548 3.409 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -11.221 8.615 1.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -10.535 11.001 1.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -11.651 10.490 0.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -12.177 11.409 1.963 1.00 0.00 H new