USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 784 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 28 TYR OH : rot 30:sc= 0 USER MOD Set 1.2: A 48 THR OG1 : rot -170:sc= 0.0295 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.122) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.0023 K(o=-0.0023,f=-2.7!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= -1.26 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 90:sc= -1.88! USER MOD Single : A 50 SER OG : rot 61:sc= 0.258 USER MOD Single : A 52 ASN : amide:sc= 0.00884 X(o=0.0088,f=0) USER MOD Single : A 54 ASN : amide:sc= -0.556 K(o=-0.56,f=-5.2!) USER MOD Single : A 57 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.42) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot -81:sc= 1.17 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.0516 X(o=-0.052,f=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 CYS SG : rot 50:sc= -2.28 USER MOD Single : A 87 SER OG : rot 108:sc= 0.00809 USER MOD Single : A 92 LYS NZ :NH3+ -147:sc= -2.32 (180deg=-3.58!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.0467 USER MOD Single : A 98 LYS NZ :NH3+ 157:sc= 0.239 (180deg=0.0689) USER MOD Single : A 99 ASN : amide:sc= -2.26 X(o=-2.3,f=-2.6!) USER MOD Single : A 101 ASN :FLIP amide:sc= -0.479 F(o=-1.1,f=-0.48) USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 SER OG : rot 86:sc= 1.55 USER MOD ----------------------------------------------------------------- ATOM 112 N ALA A 10 -8.207 4.329 11.960 1.00 0.00 N ATOM 113 CA ALA A 10 -7.215 4.454 10.898 1.00 0.00 C ATOM 114 C ALA A 10 -7.710 3.814 9.606 1.00 0.00 C ATOM 115 O ALA A 10 -8.635 3.002 9.618 1.00 0.00 O ATOM 116 CB ALA A 10 -5.899 3.825 11.330 1.00 0.00 C ATOM 0 HA ALA A 10 -7.054 5.515 10.708 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.167 3.925 10.528 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.530 4.330 12.223 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.055 2.769 11.549 1.00 0.00 H new ATOM 122 N LYS A 11 -7.085 4.183 8.492 1.00 0.00 N ATOM 123 CA LYS A 11 -7.461 3.644 7.191 1.00 0.00 C ATOM 124 C LYS A 11 -6.555 2.480 6.803 1.00 0.00 C ATOM 125 O LYS A 11 -5.334 2.623 6.746 1.00 0.00 O ATOM 126 CB LYS A 11 -7.393 4.738 6.123 1.00 0.00 C ATOM 127 CG LYS A 11 -8.730 5.409 5.854 1.00 0.00 C ATOM 128 CD LYS A 11 -8.838 6.745 6.571 1.00 0.00 C ATOM 129 CE LYS A 11 -8.101 7.841 5.820 1.00 0.00 C ATOM 130 NZ LYS A 11 -7.870 9.040 6.672 1.00 0.00 N ATOM 0 H LYS A 11 -6.316 4.853 8.465 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.485 3.277 7.259 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.673 5.494 6.435 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.020 4.305 5.195 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.853 5.560 4.782 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.539 4.754 6.179 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.888 7.018 6.678 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.429 6.653 7.577 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.144 7.458 5.466 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.676 8.127 4.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.365 9.764 6.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.784 9.421 6.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.300 8.773 7.500 1.00 0.00 H new ATOM 144 N LYS A 12 -7.163 1.327 6.538 1.00 0.00 N ATOM 145 CA LYS A 12 -6.411 0.138 6.155 1.00 0.00 C ATOM 146 C LYS A 12 -5.986 0.210 4.693 1.00 0.00 C ATOM 147 O LYS A 12 -6.815 0.095 3.789 1.00 0.00 O ATOM 148 CB LYS A 12 -7.249 -1.119 6.394 1.00 0.00 C ATOM 149 CG LYS A 12 -7.189 -1.627 7.824 1.00 0.00 C ATOM 150 CD LYS A 12 -6.112 -2.685 7.996 1.00 0.00 C ATOM 151 CE LYS A 12 -6.036 -3.177 9.432 1.00 0.00 C ATOM 152 NZ LYS A 12 -5.512 -4.568 9.517 1.00 0.00 N ATOM 0 H LYS A 12 -8.173 1.192 6.582 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.514 0.091 6.772 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.287 -0.908 6.135 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.907 -1.907 5.723 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.993 -0.794 8.499 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.157 -2.043 8.104 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.318 -3.526 7.333 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.147 -2.274 7.700 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.394 -2.512 10.010 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.027 -3.135 9.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.195 -5.166 10.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.367 -4.944 8.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.607 -4.567 10.029 1.00 0.00 H new ATOM 166 N VAL A 13 -4.691 0.402 4.466 1.00 0.00 N ATOM 167 CA VAL A 13 -4.156 0.490 3.112 1.00 0.00 C ATOM 168 C VAL A 13 -3.084 -0.569 2.873 1.00 0.00 C ATOM 169 O VAL A 13 -2.312 -0.899 3.773 1.00 0.00 O ATOM 170 CB VAL A 13 -3.556 1.881 2.835 1.00 0.00 C ATOM 171 CG1 VAL A 13 -4.654 2.932 2.763 1.00 0.00 C ATOM 172 CG2 VAL A 13 -2.530 2.242 3.897 1.00 0.00 C ATOM 0 H VAL A 13 -3.992 0.500 5.202 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.990 0.319 2.432 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.050 1.852 1.870 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.211 3.908 2.567 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.347 2.680 1.960 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.192 2.962 3.711 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.117 3.228 3.684 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.008 2.253 4.876 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.727 1.504 3.893 1.00 0.00 H new ATOM 182 N ARG A 14 -3.044 -1.098 1.654 1.00 0.00 N ATOM 183 CA ARG A 14 -2.066 -2.119 1.296 1.00 0.00 C ATOM 184 C ARG A 14 -1.093 -1.595 0.245 1.00 0.00 C ATOM 185 O ARG A 14 -1.505 -1.057 -0.783 1.00 0.00 O ATOM 186 CB ARG A 14 -2.774 -3.371 0.773 1.00 0.00 C ATOM 187 CG ARG A 14 -2.027 -4.661 1.070 1.00 0.00 C ATOM 188 CD ARG A 14 -2.982 -5.831 1.241 1.00 0.00 C ATOM 189 NE ARG A 14 -2.355 -6.954 1.933 1.00 0.00 N ATOM 190 CZ ARG A 14 -2.987 -8.087 2.232 1.00 0.00 C ATOM 191 NH1 ARG A 14 -4.262 -8.251 1.900 1.00 0.00 N ATOM 192 NH2 ARG A 14 -2.343 -9.059 2.863 1.00 0.00 N ATOM 0 H ARG A 14 -3.677 -0.837 0.898 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.501 -2.376 2.192 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -3.769 -3.427 1.215 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -2.909 -3.279 -0.305 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.330 -4.874 0.259 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.434 -4.539 1.976 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -3.859 -5.504 1.801 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -3.333 -6.159 0.262 1.00 0.00 H new ATOM 0 HE ARG A 14 -1.375 -6.865 2.203 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -4.762 -7.507 1.413 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -4.741 -9.121 2.131 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -1.363 -8.939 3.120 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -2.827 -9.927 3.092 1.00 0.00 H new ATOM 206 N PHE A 15 0.200 -1.757 0.509 1.00 0.00 N ATOM 207 CA PHE A 15 1.232 -1.299 -0.414 1.00 0.00 C ATOM 208 C PHE A 15 2.016 -2.479 -0.982 1.00 0.00 C ATOM 209 O PHE A 15 2.669 -3.216 -0.244 1.00 0.00 O ATOM 210 CB PHE A 15 2.184 -0.331 0.291 1.00 0.00 C ATOM 211 CG PHE A 15 1.553 0.988 0.634 1.00 0.00 C ATOM 212 CD1 PHE A 15 1.145 1.857 -0.365 1.00 0.00 C ATOM 213 CD2 PHE A 15 1.368 1.359 1.956 1.00 0.00 C ATOM 214 CE1 PHE A 15 0.564 3.071 -0.053 1.00 0.00 C ATOM 215 CE2 PHE A 15 0.787 2.572 2.275 1.00 0.00 C ATOM 216 CZ PHE A 15 0.385 3.429 1.270 1.00 0.00 C ATOM 0 H PHE A 15 0.558 -2.202 1.354 1.00 0.00 H new ATOM 0 HA PHE A 15 0.743 -0.780 -1.238 1.00 0.00 H new ATOM 0 HB2 PHE A 15 2.552 -0.797 1.205 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.049 -0.155 -0.348 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.283 1.582 -1.400 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.681 0.693 2.746 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.250 3.739 -0.841 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.648 2.849 3.310 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.069 4.377 1.517 1.00 0.00 H new ATOM 226 N TYR A 16 1.945 -2.651 -2.297 1.00 0.00 N ATOM 227 CA TYR A 16 2.649 -3.740 -2.964 1.00 0.00 C ATOM 228 C TYR A 16 3.987 -3.264 -3.521 1.00 0.00 C ATOM 229 O TYR A 16 4.198 -2.067 -3.719 1.00 0.00 O ATOM 230 CB TYR A 16 1.790 -4.315 -4.093 1.00 0.00 C ATOM 231 CG TYR A 16 0.571 -5.065 -3.605 1.00 0.00 C ATOM 232 CD1 TYR A 16 0.698 -6.291 -2.963 1.00 0.00 C ATOM 233 CD2 TYR A 16 -0.706 -4.549 -3.786 1.00 0.00 C ATOM 234 CE1 TYR A 16 -0.413 -6.980 -2.515 1.00 0.00 C ATOM 235 CE2 TYR A 16 -1.822 -5.232 -3.342 1.00 0.00 C ATOM 236 CZ TYR A 16 -1.670 -6.447 -2.706 1.00 0.00 C ATOM 237 OH TYR A 16 -2.779 -7.131 -2.263 1.00 0.00 O ATOM 0 H TYR A 16 1.407 -2.051 -2.922 1.00 0.00 H new ATOM 0 HA TYR A 16 2.840 -4.520 -2.227 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.469 -3.502 -4.744 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.401 -4.986 -4.697 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.681 -6.712 -2.812 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -0.829 -3.598 -4.282 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -0.297 -7.932 -2.018 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -2.808 -4.817 -3.492 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.586 -6.618 -2.475 1.00 0.00 H new ATOM 247 N ARG A 17 4.887 -4.208 -3.773 1.00 0.00 N ATOM 248 CA ARG A 17 6.206 -3.885 -4.308 1.00 0.00 C ATOM 249 C ARG A 17 6.201 -3.940 -5.833 1.00 0.00 C ATOM 250 O ARG A 17 5.798 -4.939 -6.427 1.00 0.00 O ATOM 251 CB ARG A 17 7.254 -4.851 -3.751 1.00 0.00 C ATOM 252 CG ARG A 17 8.525 -4.162 -3.278 1.00 0.00 C ATOM 253 CD ARG A 17 9.094 -4.833 -2.039 1.00 0.00 C ATOM 254 NE ARG A 17 9.259 -6.272 -2.224 1.00 0.00 N ATOM 255 CZ ARG A 17 9.885 -7.065 -1.358 1.00 0.00 C ATOM 256 NH1 ARG A 17 10.409 -6.562 -0.246 1.00 0.00 N ATOM 257 NH2 ARG A 17 9.989 -8.364 -1.603 1.00 0.00 N ATOM 0 H ARG A 17 4.728 -5.203 -3.616 1.00 0.00 H new ATOM 0 HA ARG A 17 6.460 -2.870 -4.001 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.820 -5.405 -2.919 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.510 -5.580 -4.520 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.268 -4.179 -4.076 1.00 0.00 H new ATOM 0 HG3 ARG A 17 8.313 -3.115 -3.061 1.00 0.00 H new ATOM 0 HD2 ARG A 17 10.058 -4.386 -1.795 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.433 -4.650 -1.192 1.00 0.00 H new ATOM 0 HE ARG A 17 8.871 -6.695 -3.067 1.00 0.00 H new ATOM 0 HH11 ARG A 17 10.333 -5.563 -0.053 1.00 0.00 H new ATOM 0 HH12 ARG A 17 10.888 -7.174 0.414 1.00 0.00 H new ATOM 0 HH21 ARG A 17 9.589 -8.756 -2.456 1.00 0.00 H new ATOM 0 HH22 ARG A 17 10.469 -8.971 -0.939 1.00 0.00 H new ATOM 271 N ASN A 18 6.653 -2.859 -6.459 1.00 0.00 N ATOM 272 CA ASN A 18 6.702 -2.784 -7.915 1.00 0.00 C ATOM 273 C ASN A 18 7.656 -3.830 -8.482 1.00 0.00 C ATOM 274 O ASN A 18 8.873 -3.722 -8.331 1.00 0.00 O ATOM 275 CB ASN A 18 7.135 -1.385 -8.361 1.00 0.00 C ATOM 276 CG ASN A 18 6.289 -0.855 -9.503 1.00 0.00 C ATOM 277 OD1 ASN A 18 5.199 -1.362 -9.771 1.00 0.00 O ATOM 278 ND2 ASN A 18 6.788 0.170 -10.183 1.00 0.00 N ATOM 0 H ASN A 18 6.991 -2.023 -5.982 1.00 0.00 H new ATOM 0 HA ASN A 18 5.702 -2.986 -8.298 1.00 0.00 H new ATOM 0 HB2 ASN A 18 7.069 -0.700 -7.515 1.00 0.00 H new ATOM 0 HB3 ASN A 18 8.180 -1.412 -8.669 1.00 0.00 H new ATOM 0 HD21 ASN A 18 6.264 0.569 -10.962 1.00 0.00 H new ATOM 0 HD22 ASN A 18 7.695 0.559 -9.926 1.00 0.00 H new ATOM 285 N GLY A 19 7.094 -4.843 -9.135 1.00 0.00 N ATOM 286 CA GLY A 19 7.909 -5.896 -9.714 1.00 0.00 C ATOM 287 C GLY A 19 8.133 -7.049 -8.756 1.00 0.00 C ATOM 288 O GLY A 19 9.227 -7.609 -8.693 1.00 0.00 O ATOM 0 H GLY A 19 6.089 -4.953 -9.273 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.428 -6.268 -10.619 1.00 0.00 H new ATOM 0 HA3 GLY A 19 8.873 -5.483 -10.012 1.00 0.00 H new ATOM 292 N ASP A 20 7.094 -7.406 -8.009 1.00 0.00 N ATOM 293 CA ASP A 20 7.181 -8.500 -7.049 1.00 0.00 C ATOM 294 C ASP A 20 5.815 -9.144 -6.831 1.00 0.00 C ATOM 295 O ASP A 20 4.976 -8.612 -6.105 1.00 0.00 O ATOM 296 CB ASP A 20 7.741 -7.995 -5.718 1.00 0.00 C ATOM 297 CG ASP A 20 8.733 -8.962 -5.103 1.00 0.00 C ATOM 298 OD1 ASP A 20 9.576 -9.502 -5.850 1.00 0.00 O ATOM 299 OD2 ASP A 20 8.665 -9.182 -3.876 1.00 0.00 O ATOM 0 H ASP A 20 6.181 -6.953 -8.050 1.00 0.00 H new ATOM 0 HA ASP A 20 7.855 -9.254 -7.455 1.00 0.00 H new ATOM 0 HB2 ASP A 20 8.226 -7.031 -5.874 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.920 -7.829 -5.021 1.00 0.00 H new ATOM 304 N ARG A 21 5.600 -10.292 -7.464 1.00 0.00 N ATOM 305 CA ARG A 21 4.336 -11.010 -7.339 1.00 0.00 C ATOM 306 C ARG A 21 4.320 -11.867 -6.078 1.00 0.00 C ATOM 307 O ARG A 21 3.279 -12.035 -5.442 1.00 0.00 O ATOM 308 CB ARG A 21 4.100 -11.887 -8.569 1.00 0.00 C ATOM 309 CG ARG A 21 5.289 -12.762 -8.930 1.00 0.00 C ATOM 310 CD ARG A 21 4.858 -13.993 -9.711 1.00 0.00 C ATOM 311 NE ARG A 21 5.996 -14.700 -10.292 1.00 0.00 N ATOM 312 CZ ARG A 21 5.928 -15.932 -10.790 1.00 0.00 C ATOM 313 NH1 ARG A 21 4.780 -16.597 -10.781 1.00 0.00 N ATOM 314 NH2 ARG A 21 7.013 -16.502 -11.298 1.00 0.00 N ATOM 0 H ARG A 21 6.284 -10.746 -8.069 1.00 0.00 H new ATOM 0 HA ARG A 21 3.535 -10.275 -7.267 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.233 -12.523 -8.391 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.858 -11.249 -9.419 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.000 -12.185 -9.521 1.00 0.00 H new ATOM 0 HG3 ARG A 21 5.805 -13.069 -8.021 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.311 -14.667 -9.052 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.172 -13.697 -10.505 1.00 0.00 H new ATOM 0 HE ARG A 21 6.896 -14.221 -10.318 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.943 -16.164 -10.391 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.735 -17.541 -11.164 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.899 -15.996 -11.307 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.962 -17.446 -11.680 1.00 0.00 H new ATOM 328 N TYR A 22 5.481 -12.409 -5.721 1.00 0.00 N ATOM 329 CA TYR A 22 5.600 -13.250 -4.537 1.00 0.00 C ATOM 330 C TYR A 22 5.204 -12.482 -3.279 1.00 0.00 C ATOM 331 O TYR A 22 4.724 -13.067 -2.308 1.00 0.00 O ATOM 332 CB TYR A 22 7.032 -13.773 -4.399 1.00 0.00 C ATOM 333 CG TYR A 22 7.420 -14.765 -5.473 1.00 0.00 C ATOM 334 CD1 TYR A 22 7.052 -16.101 -5.377 1.00 0.00 C ATOM 335 CD2 TYR A 22 8.154 -14.365 -6.582 1.00 0.00 C ATOM 336 CE1 TYR A 22 7.406 -17.010 -6.355 1.00 0.00 C ATOM 337 CE2 TYR A 22 8.511 -15.268 -7.565 1.00 0.00 C ATOM 338 CZ TYR A 22 8.135 -16.589 -7.447 1.00 0.00 C ATOM 339 OH TYR A 22 8.488 -17.492 -8.424 1.00 0.00 O ATOM 0 H TYR A 22 6.352 -12.280 -6.236 1.00 0.00 H new ATOM 0 HA TYR A 22 4.921 -14.094 -4.653 1.00 0.00 H new ATOM 0 HB2 TYR A 22 7.722 -12.930 -4.428 1.00 0.00 H new ATOM 0 HB3 TYR A 22 7.145 -14.244 -3.423 1.00 0.00 H new ATOM 0 HD1 TYR A 22 6.480 -16.434 -4.524 1.00 0.00 H new ATOM 0 HD2 TYR A 22 8.451 -13.331 -6.678 1.00 0.00 H new ATOM 0 HE1 TYR A 22 7.113 -18.046 -6.265 1.00 0.00 H new ATOM 0 HE2 TYR A 22 9.082 -14.941 -8.421 1.00 0.00 H new ATOM 0 HH TYR A 22 8.998 -17.034 -9.124 1.00 0.00 H new ATOM 349 N PHE A 23 5.409 -11.168 -3.304 1.00 0.00 N ATOM 350 CA PHE A 23 5.073 -10.320 -2.166 1.00 0.00 C ATOM 351 C PHE A 23 3.594 -10.438 -1.815 1.00 0.00 C ATOM 352 O PHE A 23 2.743 -10.550 -2.698 1.00 0.00 O ATOM 353 CB PHE A 23 5.422 -8.862 -2.469 1.00 0.00 C ATOM 354 CG PHE A 23 5.689 -8.040 -1.241 1.00 0.00 C ATOM 355 CD1 PHE A 23 6.779 -8.314 -0.431 1.00 0.00 C ATOM 356 CD2 PHE A 23 4.849 -6.993 -0.897 1.00 0.00 C ATOM 357 CE1 PHE A 23 7.026 -7.559 0.700 1.00 0.00 C ATOM 358 CE2 PHE A 23 5.091 -6.235 0.233 1.00 0.00 C ATOM 359 CZ PHE A 23 6.181 -6.518 1.032 1.00 0.00 C ATOM 0 H PHE A 23 5.806 -10.668 -4.100 1.00 0.00 H new ATOM 0 HA PHE A 23 5.658 -10.657 -1.310 1.00 0.00 H new ATOM 0 HB2 PHE A 23 6.301 -8.834 -3.113 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.603 -8.410 -3.028 1.00 0.00 H new ATOM 0 HD1 PHE A 23 7.443 -9.127 -0.686 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.996 -6.767 -1.519 1.00 0.00 H new ATOM 0 HE1 PHE A 23 7.879 -7.783 1.324 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.428 -5.422 0.491 1.00 0.00 H new ATOM 0 HZ PHE A 23 6.373 -5.926 1.915 1.00 0.00 H new ATOM 369 N LYS A 24 3.293 -10.410 -0.521 1.00 0.00 N ATOM 370 CA LYS A 24 1.915 -10.514 -0.055 1.00 0.00 C ATOM 371 C LYS A 24 1.387 -9.155 0.397 1.00 0.00 C ATOM 372 O LYS A 24 0.485 -9.075 1.232 1.00 0.00 O ATOM 373 CB LYS A 24 1.818 -11.518 1.094 1.00 0.00 C ATOM 374 CG LYS A 24 1.737 -12.964 0.633 1.00 0.00 C ATOM 375 CD LYS A 24 2.510 -13.890 1.560 1.00 0.00 C ATOM 376 CE LYS A 24 2.758 -15.244 0.915 1.00 0.00 C ATOM 377 NZ LYS A 24 4.122 -15.760 1.215 1.00 0.00 N ATOM 0 H LYS A 24 3.984 -10.316 0.223 1.00 0.00 H new ATOM 0 HA LYS A 24 1.303 -10.862 -0.887 1.00 0.00 H new ATOM 0 HB2 LYS A 24 2.686 -11.400 1.743 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.938 -11.287 1.694 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.693 -13.276 0.593 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.133 -13.047 -0.379 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.463 -13.431 1.823 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.954 -14.024 2.488 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.014 -15.957 1.270 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.630 -15.161 -0.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.252 -16.685 0.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.833 -15.092 0.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.235 -15.864 2.244 1.00 0.00 H new ATOM 391 N GLY A 25 1.953 -8.088 -0.160 1.00 0.00 N ATOM 392 CA GLY A 25 1.523 -6.748 0.198 1.00 0.00 C ATOM 393 C GLY A 25 1.759 -6.435 1.663 1.00 0.00 C ATOM 394 O GLY A 25 1.680 -7.320 2.515 1.00 0.00 O ATOM 0 H GLY A 25 2.701 -8.127 -0.852 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.057 -6.022 -0.416 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.462 -6.638 -0.028 1.00 0.00 H new ATOM 398 N ILE A 26 2.049 -5.171 1.956 1.00 0.00 N ATOM 399 CA ILE A 26 2.295 -4.743 3.327 1.00 0.00 C ATOM 400 C ILE A 26 1.122 -3.931 3.868 1.00 0.00 C ATOM 401 O ILE A 26 0.821 -2.847 3.369 1.00 0.00 O ATOM 402 CB ILE A 26 3.585 -3.902 3.430 1.00 0.00 C ATOM 403 CG1 ILE A 26 3.890 -3.568 4.892 1.00 0.00 C ATOM 404 CG2 ILE A 26 3.462 -2.629 2.603 1.00 0.00 C ATOM 405 CD1 ILE A 26 5.325 -3.152 5.129 1.00 0.00 C ATOM 0 H ILE A 26 2.119 -4.427 1.262 1.00 0.00 H new ATOM 0 HA ILE A 26 2.412 -5.646 3.926 1.00 0.00 H new ATOM 0 HB ILE A 26 4.412 -4.489 3.031 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.229 -2.765 5.219 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.665 -4.438 5.510 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.381 -2.049 2.688 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.293 -2.889 1.558 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.624 -2.036 2.970 1.00 0.00 H new ATOM 0 HD11 ILE A 26 5.470 -2.930 6.186 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.992 -3.962 4.833 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.549 -2.264 4.538 1.00 0.00 H new ATOM 417 N VAL A 27 0.460 -4.465 4.890 1.00 0.00 N ATOM 418 CA VAL A 27 -0.681 -3.791 5.497 1.00 0.00 C ATOM 419 C VAL A 27 -0.231 -2.605 6.344 1.00 0.00 C ATOM 420 O VAL A 27 0.767 -2.683 7.061 1.00 0.00 O ATOM 421 CB VAL A 27 -1.501 -4.754 6.376 1.00 0.00 C ATOM 422 CG1 VAL A 27 -2.775 -4.082 6.863 1.00 0.00 C ATOM 423 CG2 VAL A 27 -1.823 -6.031 5.612 1.00 0.00 C ATOM 0 H VAL A 27 0.695 -5.362 5.315 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.309 -3.434 4.680 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.902 -5.019 7.247 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.340 -4.779 7.482 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.520 -3.200 7.450 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.380 -3.785 6.006 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.403 -6.699 6.249 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.401 -5.786 4.721 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.896 -6.523 5.318 1.00 0.00 H new ATOM 433 N TYR A 28 -0.976 -1.507 6.257 1.00 0.00 N ATOM 434 CA TYR A 28 -0.655 -0.304 7.015 1.00 0.00 C ATOM 435 C TYR A 28 -1.925 0.422 7.447 1.00 0.00 C ATOM 436 O TYR A 28 -2.944 0.373 6.759 1.00 0.00 O ATOM 437 CB TYR A 28 0.223 0.631 6.180 1.00 0.00 C ATOM 438 CG TYR A 28 1.704 0.453 6.426 1.00 0.00 C ATOM 439 CD1 TYR A 28 2.262 0.751 7.662 1.00 0.00 C ATOM 440 CD2 TYR A 28 2.544 -0.013 5.421 1.00 0.00 C ATOM 441 CE1 TYR A 28 3.616 0.590 7.892 1.00 0.00 C ATOM 442 CE2 TYR A 28 3.898 -0.177 5.643 1.00 0.00 C ATOM 443 CZ TYR A 28 4.429 0.125 6.878 1.00 0.00 C ATOM 444 OH TYR A 28 5.777 -0.036 7.103 1.00 0.00 O ATOM 0 H TYR A 28 -1.806 -1.426 5.669 1.00 0.00 H new ATOM 0 HA TYR A 28 -0.108 -0.603 7.909 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.016 0.462 5.123 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.051 1.663 6.397 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.628 1.115 8.457 1.00 0.00 H new ATOM 0 HD2 TYR A 28 2.132 -0.251 4.451 1.00 0.00 H new ATOM 0 HE1 TYR A 28 4.035 0.827 8.859 1.00 0.00 H new ATOM 0 HE2 TYR A 28 4.537 -0.540 4.852 1.00 0.00 H new ATOM 0 HH TYR A 28 5.928 -0.250 8.047 1.00 0.00 H new ATOM 454 N ALA A 29 -1.856 1.094 8.592 1.00 0.00 N ATOM 455 CA ALA A 29 -3.001 1.829 9.116 1.00 0.00 C ATOM 456 C ALA A 29 -2.728 3.330 9.134 1.00 0.00 C ATOM 457 O ALA A 29 -1.916 3.814 9.921 1.00 0.00 O ATOM 458 CB ALA A 29 -3.347 1.338 10.513 1.00 0.00 C ATOM 0 H ALA A 29 -1.020 1.144 9.174 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.851 1.648 8.457 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.204 1.895 10.893 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.592 0.277 10.475 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.494 1.490 11.174 1.00 0.00 H new ATOM 464 N ILE A 30 -3.413 4.060 8.260 1.00 0.00 N ATOM 465 CA ILE A 30 -3.245 5.506 8.174 1.00 0.00 C ATOM 466 C ILE A 30 -4.031 6.216 9.272 1.00 0.00 C ATOM 467 O ILE A 30 -5.261 6.162 9.302 1.00 0.00 O ATOM 468 CB ILE A 30 -3.700 6.045 6.804 1.00 0.00 C ATOM 469 CG1 ILE A 30 -3.083 5.215 5.676 1.00 0.00 C ATOM 470 CG2 ILE A 30 -3.321 7.511 6.660 1.00 0.00 C ATOM 471 CD1 ILE A 30 -1.570 5.263 5.648 1.00 0.00 C ATOM 0 H ILE A 30 -4.090 3.674 7.601 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.182 5.709 8.301 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.785 5.963 6.738 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.404 4.179 5.781 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.468 5.572 4.721 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.649 7.878 5.687 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.803 8.090 7.448 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.239 7.617 6.742 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.202 4.652 4.823 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.241 6.293 5.512 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.176 4.878 6.589 1.00 0.00 H new ATOM 483 N SER A 31 -3.314 6.880 10.171 1.00 0.00 N ATOM 484 CA SER A 31 -3.944 7.601 11.271 1.00 0.00 C ATOM 485 C SER A 31 -3.320 8.984 11.445 1.00 0.00 C ATOM 486 O SER A 31 -2.261 9.271 10.885 1.00 0.00 O ATOM 487 CB SER A 31 -3.819 6.801 12.570 1.00 0.00 C ATOM 488 OG SER A 31 -5.095 6.471 13.091 1.00 0.00 O ATOM 0 H SER A 31 -2.296 6.934 10.160 1.00 0.00 H new ATOM 0 HA SER A 31 -5.000 7.729 11.033 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.251 5.889 12.386 1.00 0.00 H new ATOM 0 HB3 SER A 31 -3.261 7.381 13.306 1.00 0.00 H new ATOM 0 HG SER A 31 -4.988 5.959 13.920 1.00 0.00 H new ATOM 494 N PRO A 32 -3.970 9.862 12.228 1.00 0.00 N ATOM 495 CA PRO A 32 -3.472 11.219 12.474 1.00 0.00 C ATOM 496 C PRO A 32 -2.212 11.228 13.331 1.00 0.00 C ATOM 497 O PRO A 32 -1.386 12.135 13.230 1.00 0.00 O ATOM 498 CB PRO A 32 -4.629 11.894 13.216 1.00 0.00 C ATOM 499 CG PRO A 32 -5.368 10.775 13.864 1.00 0.00 C ATOM 500 CD PRO A 32 -5.239 9.600 12.934 1.00 0.00 C ATOM 0 HA PRO A 32 -3.190 11.723 11.549 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -4.263 12.607 13.955 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -5.270 12.447 12.530 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -4.948 10.545 14.843 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -6.415 11.037 14.019 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.208 8.657 13.480 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.079 9.541 12.242 1.00 0.00 H new ATOM 508 N ASP A 33 -2.071 10.212 14.177 1.00 0.00 N ATOM 509 CA ASP A 33 -0.910 10.103 15.052 1.00 0.00 C ATOM 510 C ASP A 33 0.198 9.292 14.388 1.00 0.00 C ATOM 511 O ASP A 33 1.374 9.647 14.467 1.00 0.00 O ATOM 512 CB ASP A 33 -1.306 9.455 16.380 1.00 0.00 C ATOM 513 CG ASP A 33 -1.763 10.473 17.406 1.00 0.00 C ATOM 514 OD1 ASP A 33 -1.224 11.599 17.407 1.00 0.00 O ATOM 515 OD2 ASP A 33 -2.662 10.145 18.209 1.00 0.00 O ATOM 0 H ASP A 33 -2.746 9.453 14.275 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.535 11.108 15.243 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -2.105 8.735 16.206 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.457 8.899 16.777 1.00 0.00 H new ATOM 520 N ARG A 34 -0.185 8.201 13.732 1.00 0.00 N ATOM 521 CA ARG A 34 0.777 7.339 13.054 1.00 0.00 C ATOM 522 C ARG A 34 1.518 8.107 11.963 1.00 0.00 C ATOM 523 O ARG A 34 2.685 8.463 12.125 1.00 0.00 O ATOM 524 CB ARG A 34 0.067 6.125 12.450 1.00 0.00 C ATOM 525 CG ARG A 34 0.274 4.844 13.242 1.00 0.00 C ATOM 526 CD ARG A 34 0.109 3.614 12.363 1.00 0.00 C ATOM 527 NE ARG A 34 0.611 2.405 13.011 1.00 0.00 N ATOM 528 CZ ARG A 34 0.867 1.270 12.365 1.00 0.00 C ATOM 529 NH1 ARG A 34 0.670 1.184 11.055 1.00 0.00 N ATOM 530 NH2 ARG A 34 1.320 0.216 13.030 1.00 0.00 N ATOM 0 H ARG A 34 -1.154 7.893 13.656 1.00 0.00 H new ATOM 0 HA ARG A 34 1.505 6.996 13.789 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.001 6.334 12.385 1.00 0.00 H new ATOM 0 HB3 ARG A 34 0.425 5.975 11.431 1.00 0.00 H new ATOM 0 HG2 ARG A 34 1.270 4.845 13.685 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -0.440 4.804 14.064 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -0.945 3.483 12.118 1.00 0.00 H new ATOM 0 HD3 ARG A 34 0.638 3.767 11.422 1.00 0.00 H new ATOM 0 HE ARG A 34 0.775 2.432 14.017 1.00 0.00 H new ATOM 0 HH11 ARG A 34 0.321 1.991 10.538 1.00 0.00 H new ATOM 0 HH12 ARG A 34 0.868 0.311 10.566 1.00 0.00 H new ATOM 0 HH21 ARG A 34 1.472 0.275 14.037 1.00 0.00 H new ATOM 0 HH22 ARG A 34 1.516 -0.654 12.535 1.00 0.00 H new ATOM 544 N PHE A 35 0.832 8.358 10.853 1.00 0.00 N ATOM 545 CA PHE A 35 1.425 9.083 9.735 1.00 0.00 C ATOM 546 C PHE A 35 0.772 10.451 9.565 1.00 0.00 C ATOM 547 O PHE A 35 -0.324 10.561 9.016 1.00 0.00 O ATOM 548 CB PHE A 35 1.287 8.275 8.444 1.00 0.00 C ATOM 549 CG PHE A 35 1.802 6.869 8.557 1.00 0.00 C ATOM 550 CD1 PHE A 35 3.160 6.623 8.682 1.00 0.00 C ATOM 551 CD2 PHE A 35 0.929 5.794 8.538 1.00 0.00 C ATOM 552 CE1 PHE A 35 3.638 5.330 8.786 1.00 0.00 C ATOM 553 CE2 PHE A 35 1.400 4.498 8.642 1.00 0.00 C ATOM 554 CZ PHE A 35 2.756 4.266 8.766 1.00 0.00 C ATOM 0 H PHE A 35 -0.135 8.070 10.703 1.00 0.00 H new ATOM 0 HA PHE A 35 2.483 9.230 9.951 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.237 8.246 8.154 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.824 8.787 7.646 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.853 7.451 8.698 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -0.132 5.970 8.441 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.699 5.152 8.883 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.709 3.668 8.626 1.00 0.00 H new ATOM 0 HZ PHE A 35 3.126 3.255 8.847 1.00 0.00 H new ATOM 564 N ARG A 36 1.452 11.488 10.040 1.00 0.00 N ATOM 565 CA ARG A 36 0.937 12.849 9.940 1.00 0.00 C ATOM 566 C ARG A 36 1.106 13.393 8.526 1.00 0.00 C ATOM 567 O ARG A 36 0.235 14.095 8.011 1.00 0.00 O ATOM 568 CB ARG A 36 1.651 13.762 10.939 1.00 0.00 C ATOM 569 CG ARG A 36 0.817 14.955 11.378 1.00 0.00 C ATOM 570 CD ARG A 36 1.538 16.269 11.121 1.00 0.00 C ATOM 571 NE ARG A 36 2.790 16.362 11.871 1.00 0.00 N ATOM 572 CZ ARG A 36 2.856 16.637 13.172 1.00 0.00 C ATOM 573 NH1 ARG A 36 1.747 16.845 13.869 1.00 0.00 N ATOM 574 NH2 ARG A 36 4.035 16.703 13.775 1.00 0.00 N ATOM 0 H ARG A 36 2.360 11.413 10.498 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.127 12.826 10.176 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.927 13.179 11.818 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.577 14.122 10.491 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.134 14.951 10.845 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.587 14.867 12.440 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.746 16.366 10.055 1.00 0.00 H new ATOM 0 HD3 ARG A 36 0.888 17.099 11.396 1.00 0.00 H new ATOM 0 HE ARG A 36 3.664 16.207 11.368 1.00 0.00 H new ATOM 0 HH11 ARG A 36 0.838 16.795 13.409 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.803 17.055 14.866 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.890 16.543 13.242 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.087 16.914 14.772 1.00 0.00 H new ATOM 588 N SER A 37 2.233 13.064 7.901 1.00 0.00 N ATOM 589 CA SER A 37 2.518 13.519 6.547 1.00 0.00 C ATOM 590 C SER A 37 2.952 12.356 5.661 1.00 0.00 C ATOM 591 O SER A 37 3.089 11.225 6.128 1.00 0.00 O ATOM 592 CB SER A 37 3.605 14.595 6.565 1.00 0.00 C ATOM 593 OG SER A 37 3.040 15.892 6.648 1.00 0.00 O ATOM 0 H SER A 37 2.964 12.483 8.313 1.00 0.00 H new ATOM 0 HA SER A 37 1.603 13.944 6.135 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.270 14.430 7.413 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.213 14.517 5.663 1.00 0.00 H new ATOM 0 HG SER A 37 3.756 16.561 6.660 1.00 0.00 H new ATOM 599 N PHE A 38 3.166 12.641 4.381 1.00 0.00 N ATOM 600 CA PHE A 38 3.585 11.618 3.430 1.00 0.00 C ATOM 601 C PHE A 38 5.021 11.180 3.701 1.00 0.00 C ATOM 602 O PHE A 38 5.385 10.028 3.464 1.00 0.00 O ATOM 603 CB PHE A 38 3.460 12.140 1.998 1.00 0.00 C ATOM 604 CG PHE A 38 3.205 11.061 0.985 1.00 0.00 C ATOM 605 CD1 PHE A 38 2.183 10.146 1.171 1.00 0.00 C ATOM 606 CD2 PHE A 38 3.988 10.963 -0.153 1.00 0.00 C ATOM 607 CE1 PHE A 38 1.946 9.152 0.240 1.00 0.00 C ATOM 608 CE2 PHE A 38 3.756 9.972 -1.088 1.00 0.00 C ATOM 609 CZ PHE A 38 2.733 9.064 -0.890 1.00 0.00 C ATOM 0 H PHE A 38 3.056 13.572 3.978 1.00 0.00 H new ATOM 0 HA PHE A 38 2.931 10.754 3.552 1.00 0.00 H new ATOM 0 HB2 PHE A 38 2.649 12.867 1.955 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.376 12.668 1.731 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.564 10.209 2.054 1.00 0.00 H new ATOM 0 HD2 PHE A 38 4.789 11.669 -0.312 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.145 8.445 0.397 1.00 0.00 H new ATOM 0 HE2 PHE A 38 4.373 9.907 -1.972 1.00 0.00 H new ATOM 0 HZ PHE A 38 2.550 8.287 -1.618 1.00 0.00 H new ATOM 619 N GLU A 39 5.833 12.108 4.197 1.00 0.00 N ATOM 620 CA GLU A 39 7.229 11.819 4.501 1.00 0.00 C ATOM 621 C GLU A 39 7.342 10.731 5.564 1.00 0.00 C ATOM 622 O GLU A 39 8.171 9.826 5.456 1.00 0.00 O ATOM 623 CB GLU A 39 7.943 13.088 4.974 1.00 0.00 C ATOM 624 CG GLU A 39 9.332 13.262 4.382 1.00 0.00 C ATOM 625 CD GLU A 39 10.380 12.435 5.101 1.00 0.00 C ATOM 626 OE1 GLU A 39 10.697 12.761 6.264 1.00 0.00 O ATOM 627 OE2 GLU A 39 10.883 11.462 4.501 1.00 0.00 O ATOM 0 H GLU A 39 5.548 13.067 4.397 1.00 0.00 H new ATOM 0 HA GLU A 39 7.706 11.460 3.589 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.335 13.955 4.714 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.021 13.067 6.061 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.312 12.981 3.329 1.00 0.00 H new ATOM 0 HG3 GLU A 39 9.612 14.314 4.426 1.00 0.00 H new ATOM 634 N ALA A 40 6.504 10.826 6.591 1.00 0.00 N ATOM 635 CA ALA A 40 6.510 9.850 7.674 1.00 0.00 C ATOM 636 C ALA A 40 6.157 8.458 7.162 1.00 0.00 C ATOM 637 O ALA A 40 6.657 7.454 7.669 1.00 0.00 O ATOM 638 CB ALA A 40 5.540 10.272 8.768 1.00 0.00 C ATOM 0 H ALA A 40 5.813 11.569 6.696 1.00 0.00 H new ATOM 0 HA ALA A 40 7.517 9.811 8.089 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.554 9.535 9.571 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.837 11.244 9.162 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.533 10.340 8.355 1.00 0.00 H new ATOM 644 N LEU A 41 5.293 8.406 6.153 1.00 0.00 N ATOM 645 CA LEU A 41 4.874 7.135 5.571 1.00 0.00 C ATOM 646 C LEU A 41 5.918 6.616 4.588 1.00 0.00 C ATOM 647 O LEU A 41 6.192 5.418 4.534 1.00 0.00 O ATOM 648 CB LEU A 41 3.526 7.294 4.866 1.00 0.00 C ATOM 649 CG LEU A 41 2.906 5.992 4.356 1.00 0.00 C ATOM 650 CD1 LEU A 41 2.475 5.114 5.521 1.00 0.00 C ATOM 651 CD2 LEU A 41 1.726 6.286 3.443 1.00 0.00 C ATOM 0 H LEU A 41 4.870 9.228 5.722 1.00 0.00 H new ATOM 0 HA LEU A 41 4.771 6.410 6.378 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.826 7.767 5.555 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.652 7.974 4.023 1.00 0.00 H new ATOM 0 HG LEU A 41 3.660 5.454 3.781 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.036 4.192 5.139 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.342 4.875 6.137 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.737 5.645 6.123 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.297 5.348 3.089 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.970 6.846 3.994 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.064 6.875 2.590 1.00 0.00 H new ATOM 663 N LEU A 42 6.497 7.527 3.813 1.00 0.00 N ATOM 664 CA LEU A 42 7.511 7.160 2.830 1.00 0.00 C ATOM 665 C LEU A 42 8.762 6.623 3.515 1.00 0.00 C ATOM 666 O LEU A 42 9.407 5.698 3.018 1.00 0.00 O ATOM 667 CB LEU A 42 7.870 8.368 1.962 1.00 0.00 C ATOM 668 CG LEU A 42 6.816 8.756 0.924 1.00 0.00 C ATOM 669 CD1 LEU A 42 7.120 10.128 0.343 1.00 0.00 C ATOM 670 CD2 LEU A 42 6.746 7.711 -0.179 1.00 0.00 C ATOM 0 H LEU A 42 6.282 8.524 3.846 1.00 0.00 H new ATOM 0 HA LEU A 42 7.100 6.375 2.196 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.049 9.224 2.613 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.807 8.159 1.445 1.00 0.00 H new ATOM 0 HG LEU A 42 5.845 8.800 1.417 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.360 10.388 -0.394 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.120 10.870 1.142 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.099 10.111 -0.136 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.991 8.003 -0.909 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.716 7.635 -0.670 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.481 6.745 0.251 1.00 0.00 H new ATOM 682 N ALA A 43 9.103 7.207 4.659 1.00 0.00 N ATOM 683 CA ALA A 43 10.278 6.786 5.412 1.00 0.00 C ATOM 684 C ALA A 43 10.122 5.358 5.922 1.00 0.00 C ATOM 685 O ALA A 43 11.061 4.564 5.869 1.00 0.00 O ATOM 686 CB ALA A 43 10.529 7.737 6.573 1.00 0.00 C ATOM 0 H ALA A 43 8.582 7.973 5.085 1.00 0.00 H new ATOM 0 HA ALA A 43 11.137 6.813 4.741 1.00 0.00 H new ATOM 0 HB1 ALA A 43 11.409 7.411 7.127 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.694 8.744 6.189 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.664 7.739 7.236 1.00 0.00 H new ATOM 692 N ASP A 44 8.930 5.038 6.415 1.00 0.00 N ATOM 693 CA ASP A 44 8.651 3.704 6.934 1.00 0.00 C ATOM 694 C ASP A 44 8.566 2.685 5.801 1.00 0.00 C ATOM 695 O ASP A 44 9.042 1.557 5.929 1.00 0.00 O ATOM 696 CB ASP A 44 7.346 3.708 7.734 1.00 0.00 C ATOM 697 CG ASP A 44 7.583 3.818 9.227 1.00 0.00 C ATOM 698 OD1 ASP A 44 8.323 4.735 9.644 1.00 0.00 O ATOM 699 OD2 ASP A 44 7.031 2.989 9.979 1.00 0.00 O ATOM 0 H ASP A 44 8.142 5.684 6.466 1.00 0.00 H new ATOM 0 HA ASP A 44 9.471 3.418 7.593 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.724 4.541 7.405 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.791 2.794 7.523 1.00 0.00 H new ATOM 704 N LEU A 45 7.955 3.090 4.693 1.00 0.00 N ATOM 705 CA LEU A 45 7.806 2.213 3.537 1.00 0.00 C ATOM 706 C LEU A 45 9.168 1.775 3.007 1.00 0.00 C ATOM 707 O LEU A 45 9.366 0.609 2.668 1.00 0.00 O ATOM 708 CB LEU A 45 7.020 2.921 2.432 1.00 0.00 C ATOM 709 CG LEU A 45 5.513 3.026 2.674 1.00 0.00 C ATOM 710 CD1 LEU A 45 4.845 3.796 1.545 1.00 0.00 C ATOM 711 CD2 LEU A 45 4.899 1.642 2.816 1.00 0.00 C ATOM 0 H LEU A 45 7.555 4.020 4.571 1.00 0.00 H new ATOM 0 HA LEU A 45 7.257 1.326 3.853 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.423 3.926 2.307 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.186 2.392 1.493 1.00 0.00 H new ATOM 0 HG LEU A 45 5.349 3.570 3.604 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.773 3.861 1.733 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.266 4.800 1.491 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.017 3.279 0.601 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.827 1.736 2.988 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.072 1.072 1.903 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.358 1.125 3.659 1.00 0.00 H new ATOM 723 N THR A 46 10.102 2.718 2.939 1.00 0.00 N ATOM 724 CA THR A 46 11.445 2.429 2.449 1.00 0.00 C ATOM 725 C THR A 46 12.183 1.489 3.398 1.00 0.00 C ATOM 726 O THR A 46 13.042 0.714 2.976 1.00 0.00 O ATOM 727 CB THR A 46 12.237 3.726 2.280 1.00 0.00 C ATOM 728 OG1 THR A 46 11.453 4.712 1.630 1.00 0.00 O ATOM 729 CG2 THR A 46 13.509 3.550 1.479 1.00 0.00 C ATOM 0 H THR A 46 9.954 3.688 3.217 1.00 0.00 H new ATOM 0 HA THR A 46 11.353 1.937 1.481 1.00 0.00 H new ATOM 0 HB THR A 46 12.503 4.036 3.291 1.00 0.00 H new ATOM 0 HG1 THR A 46 10.964 5.235 2.299 1.00 0.00 H new ATOM 0 HG21 THR A 46 14.023 4.508 1.397 1.00 0.00 H new ATOM 0 HG22 THR A 46 14.158 2.832 1.980 1.00 0.00 H new ATOM 0 HG23 THR A 46 13.264 3.183 0.482 1.00 0.00 H new ATOM 737 N ARG A 47 11.846 1.565 4.681 1.00 0.00 N ATOM 738 CA ARG A 47 12.480 0.721 5.688 1.00 0.00 C ATOM 739 C ARG A 47 12.056 -0.736 5.532 1.00 0.00 C ATOM 740 O ARG A 47 12.791 -1.650 5.908 1.00 0.00 O ATOM 741 CB ARG A 47 12.128 1.218 7.093 1.00 0.00 C ATOM 742 CG ARG A 47 12.944 0.558 8.193 1.00 0.00 C ATOM 743 CD ARG A 47 13.631 1.588 9.077 1.00 0.00 C ATOM 744 NE ARG A 47 13.876 1.077 10.424 1.00 0.00 N ATOM 745 CZ ARG A 47 12.945 1.009 11.373 1.00 0.00 C ATOM 746 NH1 ARG A 47 11.707 1.417 11.126 1.00 0.00 N ATOM 747 NH2 ARG A 47 13.252 0.531 12.571 1.00 0.00 N ATOM 0 H ARG A 47 11.138 2.201 5.048 1.00 0.00 H new ATOM 0 HA ARG A 47 13.559 0.781 5.545 1.00 0.00 H new ATOM 0 HB2 ARG A 47 12.280 2.297 7.137 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.069 1.037 7.279 1.00 0.00 H new ATOM 0 HG2 ARG A 47 12.294 -0.069 8.803 1.00 0.00 H new ATOM 0 HG3 ARG A 47 13.693 -0.097 7.748 1.00 0.00 H new ATOM 0 HD2 ARG A 47 14.577 1.882 8.623 1.00 0.00 H new ATOM 0 HD3 ARG A 47 13.014 2.484 9.136 1.00 0.00 H new ATOM 0 HE ARG A 47 14.816 0.753 10.650 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.465 1.785 10.206 1.00 0.00 H new ATOM 0 HH12 ARG A 47 10.997 1.363 11.856 1.00 0.00 H new ATOM 0 HH21 ARG A 47 14.202 0.215 12.766 1.00 0.00 H new ATOM 0 HH22 ARG A 47 12.538 0.479 13.298 1.00 0.00 H new ATOM 761 N THR A 48 10.866 -0.948 4.977 1.00 0.00 N ATOM 762 CA THR A 48 10.348 -2.297 4.775 1.00 0.00 C ATOM 763 C THR A 48 10.354 -2.670 3.296 1.00 0.00 C ATOM 764 O THR A 48 11.072 -3.578 2.877 1.00 0.00 O ATOM 765 CB THR A 48 8.930 -2.408 5.335 1.00 0.00 C ATOM 766 OG1 THR A 48 8.174 -1.252 5.021 1.00 0.00 O ATOM 767 CG2 THR A 48 8.891 -2.586 6.837 1.00 0.00 C ATOM 0 H THR A 48 10.244 -0.205 4.660 1.00 0.00 H new ATOM 0 HA THR A 48 10.998 -2.992 5.307 1.00 0.00 H new ATOM 0 HB THR A 48 8.506 -3.297 4.868 1.00 0.00 H new ATOM 0 HG1 THR A 48 7.329 -1.269 5.517 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.855 -2.658 7.168 1.00 0.00 H new ATOM 0 HG22 THR A 48 9.423 -3.498 7.109 1.00 0.00 H new ATOM 0 HG23 THR A 48 9.367 -1.731 7.317 1.00 0.00 H new ATOM 775 N LEU A 49 9.544 -1.968 2.509 1.00 0.00 N ATOM 776 CA LEU A 49 9.451 -2.227 1.077 1.00 0.00 C ATOM 777 C LEU A 49 10.819 -2.122 0.408 1.00 0.00 C ATOM 778 O LEU A 49 11.390 -3.125 -0.019 1.00 0.00 O ATOM 779 CB LEU A 49 8.476 -1.246 0.422 1.00 0.00 C ATOM 780 CG LEU A 49 7.012 -1.417 0.830 1.00 0.00 C ATOM 781 CD1 LEU A 49 6.137 -0.401 0.116 1.00 0.00 C ATOM 782 CD2 LEU A 49 6.540 -2.833 0.534 1.00 0.00 C ATOM 0 H LEU A 49 8.942 -1.214 2.840 1.00 0.00 H new ATOM 0 HA LEU A 49 9.081 -3.244 0.944 1.00 0.00 H new ATOM 0 HB2 LEU A 49 8.789 -0.230 0.665 1.00 0.00 H new ATOM 0 HB3 LEU A 49 8.550 -1.352 -0.660 1.00 0.00 H new ATOM 0 HG LEU A 49 6.930 -1.244 1.903 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.099 -0.538 0.419 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.461 0.606 0.378 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.222 -0.541 -0.962 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.496 -2.938 0.830 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.636 -3.033 -0.533 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.149 -3.544 1.093 1.00 0.00 H new ATOM 794 N SER A 50 11.338 -0.901 0.319 1.00 0.00 N ATOM 795 CA SER A 50 12.637 -0.665 -0.300 1.00 0.00 C ATOM 796 C SER A 50 13.728 -1.483 0.384 1.00 0.00 C ATOM 797 O SER A 50 13.909 -1.402 1.599 1.00 0.00 O ATOM 798 CB SER A 50 12.989 0.822 -0.245 1.00 0.00 C ATOM 799 OG SER A 50 14.248 1.072 -0.847 1.00 0.00 O ATOM 0 H SER A 50 10.878 -0.060 0.668 1.00 0.00 H new ATOM 0 HA SER A 50 12.575 -0.980 -1.342 1.00 0.00 H new ATOM 0 HB2 SER A 50 12.218 1.400 -0.754 1.00 0.00 H new ATOM 0 HB3 SER A 50 13.006 1.157 0.792 1.00 0.00 H new ATOM 0 HG SER A 50 14.221 0.799 -1.788 1.00 0.00 H new ATOM 805 N ASP A 51 14.453 -2.268 -0.405 1.00 0.00 N ATOM 806 CA ASP A 51 15.527 -3.101 0.122 1.00 0.00 C ATOM 807 C ASP A 51 16.836 -2.828 -0.613 1.00 0.00 C ATOM 808 O ASP A 51 17.776 -2.276 -0.040 1.00 0.00 O ATOM 809 CB ASP A 51 15.161 -4.582 0.000 1.00 0.00 C ATOM 810 CG ASP A 51 16.204 -5.489 0.621 1.00 0.00 C ATOM 811 OD1 ASP A 51 16.788 -5.101 1.655 1.00 0.00 O ATOM 812 OD2 ASP A 51 16.438 -6.588 0.073 1.00 0.00 O ATOM 0 H ASP A 51 14.316 -2.345 -1.413 1.00 0.00 H new ATOM 0 HA ASP A 51 15.662 -2.853 1.175 1.00 0.00 H new ATOM 0 HB2 ASP A 51 14.199 -4.756 0.482 1.00 0.00 H new ATOM 0 HB3 ASP A 51 15.041 -4.838 -1.053 1.00 0.00 H new ATOM 817 N ASN A 52 16.890 -3.217 -1.882 1.00 0.00 N ATOM 818 CA ASN A 52 18.084 -3.012 -2.693 1.00 0.00 C ATOM 819 C ASN A 52 17.851 -3.470 -4.131 1.00 0.00 C ATOM 820 O ASN A 52 18.254 -2.794 -5.079 1.00 0.00 O ATOM 821 CB ASN A 52 19.270 -3.767 -2.092 1.00 0.00 C ATOM 822 CG ASN A 52 20.564 -2.983 -2.189 1.00 0.00 C ATOM 823 OD1 ASN A 52 21.463 -3.339 -2.950 1.00 0.00 O ATOM 824 ND2 ASN A 52 20.664 -1.910 -1.414 1.00 0.00 N ATOM 0 H ASN A 52 16.121 -3.676 -2.371 1.00 0.00 H new ATOM 0 HA ASN A 52 18.308 -1.945 -2.702 1.00 0.00 H new ATOM 0 HB2 ASN A 52 19.062 -3.991 -1.046 1.00 0.00 H new ATOM 0 HB3 ASN A 52 19.387 -4.721 -2.605 1.00 0.00 H new ATOM 0 HD21 ASN A 52 21.512 -1.343 -1.434 1.00 0.00 H new ATOM 0 HD22 ASN A 52 19.893 -1.652 -0.798 1.00 0.00 H new ATOM 831 N VAL A 53 17.202 -4.618 -4.284 1.00 0.00 N ATOM 832 CA VAL A 53 16.918 -5.165 -5.606 1.00 0.00 C ATOM 833 C VAL A 53 15.618 -4.595 -6.168 1.00 0.00 C ATOM 834 O VAL A 53 15.578 -4.118 -7.302 1.00 0.00 O ATOM 835 CB VAL A 53 16.818 -6.701 -5.571 1.00 0.00 C ATOM 836 CG1 VAL A 53 16.676 -7.262 -6.977 1.00 0.00 C ATOM 837 CG2 VAL A 53 18.030 -7.300 -4.871 1.00 0.00 C ATOM 0 H VAL A 53 16.862 -5.188 -3.510 1.00 0.00 H new ATOM 0 HA VAL A 53 17.748 -4.878 -6.251 1.00 0.00 H new ATOM 0 HB VAL A 53 15.927 -6.974 -5.005 1.00 0.00 H new ATOM 0 HG11 VAL A 53 16.607 -8.349 -6.930 1.00 0.00 H new ATOM 0 HG12 VAL A 53 15.774 -6.861 -7.439 1.00 0.00 H new ATOM 0 HG13 VAL A 53 17.545 -6.979 -7.571 1.00 0.00 H new ATOM 0 HG21 VAL A 53 17.941 -8.386 -4.856 1.00 0.00 H new ATOM 0 HG22 VAL A 53 18.936 -7.017 -5.407 1.00 0.00 H new ATOM 0 HG23 VAL A 53 18.081 -6.926 -3.848 1.00 0.00 H new ATOM 847 N ASN A 54 14.559 -4.648 -5.367 1.00 0.00 N ATOM 848 CA ASN A 54 13.259 -4.138 -5.785 1.00 0.00 C ATOM 849 C ASN A 54 13.291 -2.621 -5.936 1.00 0.00 C ATOM 850 O ASN A 54 12.925 -2.082 -6.980 1.00 0.00 O ATOM 851 CB ASN A 54 12.182 -4.538 -4.774 1.00 0.00 C ATOM 852 CG ASN A 54 11.572 -5.891 -5.086 1.00 0.00 C ATOM 853 OD1 ASN A 54 10.353 -6.024 -5.202 1.00 0.00 O ATOM 854 ND2 ASN A 54 12.419 -6.905 -5.222 1.00 0.00 N ATOM 0 H ASN A 54 14.576 -5.039 -4.425 1.00 0.00 H new ATOM 0 HA ASN A 54 13.020 -4.576 -6.754 1.00 0.00 H new ATOM 0 HB2 ASN A 54 12.616 -4.560 -3.774 1.00 0.00 H new ATOM 0 HB3 ASN A 54 11.397 -3.782 -4.765 1.00 0.00 H new ATOM 0 HD21 ASN A 54 12.067 -7.839 -5.431 1.00 0.00 H new ATOM 0 HD22 ASN A 54 13.422 -6.749 -5.118 1.00 0.00 H new ATOM 861 N LEU A 55 13.732 -1.937 -4.884 1.00 0.00 N ATOM 862 CA LEU A 55 13.813 -0.481 -4.898 1.00 0.00 C ATOM 863 C LEU A 55 15.094 0.000 -4.221 1.00 0.00 C ATOM 864 O LEU A 55 15.122 0.211 -3.008 1.00 0.00 O ATOM 865 CB LEU A 55 12.595 0.124 -4.198 1.00 0.00 C ATOM 866 CG LEU A 55 11.243 -0.237 -4.820 1.00 0.00 C ATOM 867 CD1 LEU A 55 10.248 -0.643 -3.744 1.00 0.00 C ATOM 868 CD2 LEU A 55 10.703 0.929 -5.636 1.00 0.00 C ATOM 0 H LEU A 55 14.038 -2.368 -4.012 1.00 0.00 H new ATOM 0 HA LEU A 55 13.828 -0.153 -5.937 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.596 -0.199 -3.157 1.00 0.00 H new ATOM 0 HB3 LEU A 55 12.698 1.209 -4.196 1.00 0.00 H new ATOM 0 HG LEU A 55 11.389 -1.086 -5.488 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.294 -0.895 -4.207 1.00 0.00 H new ATOM 0 HD12 LEU A 55 10.630 -1.509 -3.204 1.00 0.00 H new ATOM 0 HD13 LEU A 55 10.106 0.184 -3.049 1.00 0.00 H new ATOM 0 HD21 LEU A 55 9.742 0.655 -6.071 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.574 1.797 -4.989 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.406 1.171 -6.433 1.00 0.00 H new ATOM 880 N PRO A 56 16.178 0.178 -4.997 1.00 0.00 N ATOM 881 CA PRO A 56 17.465 0.635 -4.461 1.00 0.00 C ATOM 882 C PRO A 56 17.412 2.083 -3.983 1.00 0.00 C ATOM 883 O PRO A 56 18.087 2.455 -3.023 1.00 0.00 O ATOM 884 CB PRO A 56 18.417 0.500 -5.651 1.00 0.00 C ATOM 885 CG PRO A 56 17.540 0.580 -6.852 1.00 0.00 C ATOM 886 CD PRO A 56 16.235 -0.051 -6.453 1.00 0.00 C ATOM 0 HA PRO A 56 17.770 0.057 -3.588 1.00 0.00 H new ATOM 0 HB2 PRO A 56 19.163 1.295 -5.653 1.00 0.00 H new ATOM 0 HB3 PRO A 56 18.958 -0.446 -5.619 1.00 0.00 H new ATOM 0 HG2 PRO A 56 17.395 1.615 -7.161 1.00 0.00 H new ATOM 0 HG3 PRO A 56 17.986 0.055 -7.697 1.00 0.00 H new ATOM 0 HD2 PRO A 56 15.391 0.411 -6.966 1.00 0.00 H new ATOM 0 HD3 PRO A 56 16.212 -1.114 -6.694 1.00 0.00 H new ATOM 894 N GLN A 57 16.605 2.895 -4.658 1.00 0.00 N ATOM 895 CA GLN A 57 16.465 4.302 -4.301 1.00 0.00 C ATOM 896 C GLN A 57 15.500 4.473 -3.132 1.00 0.00 C ATOM 897 O GLN A 57 15.792 5.186 -2.172 1.00 0.00 O ATOM 898 CB GLN A 57 15.977 5.108 -5.508 1.00 0.00 C ATOM 899 CG GLN A 57 16.849 6.312 -5.828 1.00 0.00 C ATOM 900 CD GLN A 57 18.246 5.920 -6.266 1.00 0.00 C ATOM 901 OE1 GLN A 57 19.161 5.825 -5.448 1.00 0.00 O ATOM 902 NE2 GLN A 57 18.418 5.690 -7.563 1.00 0.00 N ATOM 0 H GLN A 57 16.039 2.603 -5.454 1.00 0.00 H new ATOM 0 HA GLN A 57 17.443 4.675 -3.996 1.00 0.00 H new ATOM 0 HB2 GLN A 57 15.940 4.455 -6.380 1.00 0.00 H new ATOM 0 HB3 GLN A 57 14.958 5.447 -5.320 1.00 0.00 H new ATOM 0 HG2 GLN A 57 16.377 6.899 -6.616 1.00 0.00 H new ATOM 0 HG3 GLN A 57 16.914 6.953 -4.949 1.00 0.00 H new ATOM 0 HE21 GLN A 57 17.631 5.781 -8.206 1.00 0.00 H new ATOM 0 HE22 GLN A 57 19.337 5.423 -7.916 1.00 0.00 H new ATOM 911 N GLY A 58 14.348 3.814 -3.220 1.00 0.00 N ATOM 912 CA GLY A 58 13.358 3.906 -2.163 1.00 0.00 C ATOM 913 C GLY A 58 11.963 4.164 -2.696 1.00 0.00 C ATOM 914 O GLY A 58 11.687 3.925 -3.872 1.00 0.00 O ATOM 0 H GLY A 58 14.083 3.218 -4.004 1.00 0.00 H new ATOM 0 HA2 GLY A 58 13.358 2.980 -1.588 1.00 0.00 H new ATOM 0 HA3 GLY A 58 13.636 4.707 -1.478 1.00 0.00 H new ATOM 918 N VAL A 59 11.080 4.651 -1.830 1.00 0.00 N ATOM 919 CA VAL A 59 9.706 4.941 -2.221 1.00 0.00 C ATOM 920 C VAL A 59 9.452 6.445 -2.261 1.00 0.00 C ATOM 921 O VAL A 59 9.785 7.165 -1.320 1.00 0.00 O ATOM 922 CB VAL A 59 8.696 4.280 -1.259 1.00 0.00 C ATOM 923 CG1 VAL A 59 8.859 4.827 0.151 1.00 0.00 C ATOM 924 CG2 VAL A 59 7.273 4.481 -1.757 1.00 0.00 C ATOM 0 H VAL A 59 11.292 4.853 -0.853 1.00 0.00 H new ATOM 0 HA VAL A 59 9.565 4.527 -3.220 1.00 0.00 H new ATOM 0 HB VAL A 59 8.899 3.209 -1.231 1.00 0.00 H new ATOM 0 HG11 VAL A 59 8.138 4.348 0.813 1.00 0.00 H new ATOM 0 HG12 VAL A 59 9.869 4.622 0.506 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.687 5.903 0.146 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.575 4.008 -1.066 1.00 0.00 H new ATOM 0 HG22 VAL A 59 7.056 5.547 -1.818 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.166 4.032 -2.744 1.00 0.00 H new ATOM 934 N ARG A 60 8.862 6.911 -3.357 1.00 0.00 N ATOM 935 CA ARG A 60 8.565 8.329 -3.519 1.00 0.00 C ATOM 936 C ARG A 60 7.207 8.528 -4.185 1.00 0.00 C ATOM 937 O ARG A 60 6.379 9.305 -3.708 1.00 0.00 O ATOM 938 CB ARG A 60 9.656 9.008 -4.349 1.00 0.00 C ATOM 939 CG ARG A 60 10.957 9.216 -3.589 1.00 0.00 C ATOM 940 CD ARG A 60 11.195 10.684 -3.278 1.00 0.00 C ATOM 941 NE ARG A 60 11.680 11.421 -4.443 1.00 0.00 N ATOM 942 CZ ARG A 60 12.933 11.363 -4.887 1.00 0.00 C ATOM 943 NH1 ARG A 60 13.830 10.604 -4.268 1.00 0.00 N ATOM 944 NH2 ARG A 60 13.292 12.064 -5.954 1.00 0.00 N ATOM 0 H ARG A 60 8.581 6.328 -4.145 1.00 0.00 H new ATOM 0 HA ARG A 60 8.534 8.784 -2.529 1.00 0.00 H new ATOM 0 HB2 ARG A 60 9.855 8.405 -5.235 1.00 0.00 H new ATOM 0 HB3 ARG A 60 9.289 9.974 -4.696 1.00 0.00 H new ATOM 0 HG2 ARG A 60 10.931 8.646 -2.660 1.00 0.00 H new ATOM 0 HG3 ARG A 60 11.789 8.829 -4.178 1.00 0.00 H new ATOM 0 HD2 ARG A 60 10.267 11.134 -2.925 1.00 0.00 H new ATOM 0 HD3 ARG A 60 11.919 10.770 -2.468 1.00 0.00 H new ATOM 0 HE ARG A 60 11.020 12.014 -4.945 1.00 0.00 H new ATOM 0 HH11 ARG A 60 13.560 10.061 -3.448 1.00 0.00 H new ATOM 0 HH12 ARG A 60 14.789 10.564 -4.613 1.00 0.00 H new ATOM 0 HH21 ARG A 60 12.608 12.648 -6.435 1.00 0.00 H new ATOM 0 HH22 ARG A 60 14.253 12.019 -6.294 1.00 0.00 H new ATOM 958 N THR A 61 6.984 7.821 -5.288 1.00 0.00 N ATOM 959 CA THR A 61 5.727 7.920 -6.018 1.00 0.00 C ATOM 960 C THR A 61 4.942 6.616 -5.930 1.00 0.00 C ATOM 961 O THR A 61 5.301 5.619 -6.557 1.00 0.00 O ATOM 962 CB THR A 61 5.990 8.272 -7.484 1.00 0.00 C ATOM 963 OG1 THR A 61 7.164 9.056 -7.608 1.00 0.00 O ATOM 964 CG2 THR A 61 4.856 9.039 -8.128 1.00 0.00 C ATOM 0 H THR A 61 7.658 7.173 -5.695 1.00 0.00 H new ATOM 0 HA THR A 61 5.133 8.712 -5.562 1.00 0.00 H new ATOM 0 HB THR A 61 6.097 7.316 -7.996 1.00 0.00 H new ATOM 0 HG1 THR A 61 7.317 9.270 -8.552 1.00 0.00 H new ATOM 0 HG21 THR A 61 5.107 9.256 -9.166 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.946 8.441 -8.093 1.00 0.00 H new ATOM 0 HG23 THR A 61 4.697 9.973 -7.590 1.00 0.00 H new ATOM 972 N ILE A 62 3.869 6.630 -5.145 1.00 0.00 N ATOM 973 CA ILE A 62 3.033 5.449 -4.973 1.00 0.00 C ATOM 974 C ILE A 62 1.800 5.514 -5.868 1.00 0.00 C ATOM 975 O ILE A 62 1.004 6.449 -5.779 1.00 0.00 O ATOM 976 CB ILE A 62 2.581 5.289 -3.509 1.00 0.00 C ATOM 977 CG1 ILE A 62 3.777 5.422 -2.565 1.00 0.00 C ATOM 978 CG2 ILE A 62 1.889 3.948 -3.312 1.00 0.00 C ATOM 979 CD1 ILE A 62 3.388 5.506 -1.105 1.00 0.00 C ATOM 0 H ILE A 62 3.559 7.447 -4.618 1.00 0.00 H new ATOM 0 HA ILE A 62 3.640 4.588 -5.255 1.00 0.00 H new ATOM 0 HB ILE A 62 1.869 6.081 -3.275 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.439 4.568 -2.708 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.344 6.313 -2.833 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.575 3.850 -2.273 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.016 3.890 -3.962 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.580 3.142 -3.560 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.286 5.599 -0.494 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.751 6.376 -0.948 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.847 4.604 -0.820 1.00 0.00 H new ATOM 991 N TYR A 63 1.648 4.514 -6.731 1.00 0.00 N ATOM 992 CA TYR A 63 0.510 4.459 -7.642 1.00 0.00 C ATOM 993 C TYR A 63 -0.568 3.522 -7.108 1.00 0.00 C ATOM 994 O TYR A 63 -0.364 2.826 -6.113 1.00 0.00 O ATOM 995 CB TYR A 63 0.963 4.000 -9.028 1.00 0.00 C ATOM 996 CG TYR A 63 1.939 4.947 -9.691 1.00 0.00 C ATOM 997 CD1 TYR A 63 1.497 6.111 -10.306 1.00 0.00 C ATOM 998 CD2 TYR A 63 3.302 4.677 -9.699 1.00 0.00 C ATOM 999 CE1 TYR A 63 2.386 6.979 -10.911 1.00 0.00 C ATOM 1000 CE2 TYR A 63 4.196 5.540 -10.301 1.00 0.00 C ATOM 1001 CZ TYR A 63 3.734 6.689 -10.906 1.00 0.00 C ATOM 1002 OH TYR A 63 4.622 7.552 -11.508 1.00 0.00 O ATOM 0 H TYR A 63 2.297 3.732 -6.818 1.00 0.00 H new ATOM 0 HA TYR A 63 0.088 5.461 -7.720 1.00 0.00 H new ATOM 0 HB2 TYR A 63 1.425 3.016 -8.943 1.00 0.00 H new ATOM 0 HB3 TYR A 63 0.088 3.887 -9.668 1.00 0.00 H new ATOM 0 HD1 TYR A 63 0.442 6.342 -10.312 1.00 0.00 H new ATOM 0 HD2 TYR A 63 3.668 3.777 -9.227 1.00 0.00 H new ATOM 0 HE1 TYR A 63 2.027 7.880 -11.385 1.00 0.00 H new ATOM 0 HE2 TYR A 63 5.252 5.316 -10.298 1.00 0.00 H new ATOM 0 HH TYR A 63 5.533 7.202 -11.415 1.00 0.00 H new ATOM 1012 N THR A 64 -1.716 3.508 -7.777 1.00 0.00 N ATOM 1013 CA THR A 64 -2.828 2.656 -7.370 1.00 0.00 C ATOM 1014 C THR A 64 -2.610 1.219 -7.833 1.00 0.00 C ATOM 1015 O THR A 64 -1.673 0.932 -8.578 1.00 0.00 O ATOM 1016 CB THR A 64 -4.143 3.193 -7.936 1.00 0.00 C ATOM 1017 OG1 THR A 64 -3.923 3.867 -9.163 1.00 0.00 O ATOM 1018 CG2 THR A 64 -4.848 4.155 -7.004 1.00 0.00 C ATOM 0 H THR A 64 -1.901 4.077 -8.603 1.00 0.00 H new ATOM 0 HA THR A 64 -2.880 2.664 -6.281 1.00 0.00 H new ATOM 0 HB THR A 64 -4.776 2.317 -8.074 1.00 0.00 H new ATOM 0 HG1 THR A 64 -3.604 4.776 -8.984 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.773 4.498 -7.467 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.077 3.650 -6.065 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.202 5.011 -6.808 1.00 0.00 H new ATOM 1026 N ILE A 65 -3.481 0.321 -7.387 1.00 0.00 N ATOM 1027 CA ILE A 65 -3.384 -1.086 -7.755 1.00 0.00 C ATOM 1028 C ILE A 65 -3.685 -1.288 -9.237 1.00 0.00 C ATOM 1029 O ILE A 65 -3.149 -2.196 -9.873 1.00 0.00 O ATOM 1030 CB ILE A 65 -4.346 -1.953 -6.918 1.00 0.00 C ATOM 1031 CG1 ILE A 65 -4.150 -3.437 -7.241 1.00 0.00 C ATOM 1032 CG2 ILE A 65 -5.790 -1.538 -7.165 1.00 0.00 C ATOM 1033 CD1 ILE A 65 -2.859 -4.008 -6.696 1.00 0.00 C ATOM 0 H ILE A 65 -4.262 0.543 -6.770 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.360 -1.398 -7.552 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.120 -1.798 -5.863 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.988 -4.003 -6.835 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.169 -3.571 -8.323 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.455 -2.160 -6.566 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.921 -0.493 -6.885 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.029 -1.663 -8.221 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.787 -5.062 -6.962 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.014 -3.467 -7.122 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.846 -3.906 -5.611 1.00 0.00 H new ATOM 1045 N ASP A 66 -4.547 -0.435 -9.782 1.00 0.00 N ATOM 1046 CA ASP A 66 -4.920 -0.519 -11.190 1.00 0.00 C ATOM 1047 C ASP A 66 -3.920 0.231 -12.063 1.00 0.00 C ATOM 1048 O ASP A 66 -3.656 -0.163 -13.199 1.00 0.00 O ATOM 1049 CB ASP A 66 -6.325 0.049 -11.400 1.00 0.00 C ATOM 1050 CG ASP A 66 -7.365 -0.650 -10.548 1.00 0.00 C ATOM 1051 OD1 ASP A 66 -7.743 -1.792 -10.890 1.00 0.00 O ATOM 1052 OD2 ASP A 66 -7.804 -0.058 -9.540 1.00 0.00 O ATOM 0 H ASP A 66 -5.000 0.322 -9.270 1.00 0.00 H new ATOM 0 HA ASP A 66 -4.912 -1.569 -11.481 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.322 1.113 -11.165 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.598 -0.044 -12.451 1.00 0.00 H new ATOM 1057 N GLY A 67 -3.367 1.313 -11.526 1.00 0.00 N ATOM 1058 CA GLY A 67 -2.403 2.101 -12.270 1.00 0.00 C ATOM 1059 C GLY A 67 -3.037 3.295 -12.959 1.00 0.00 C ATOM 1060 O GLY A 67 -2.633 3.674 -14.057 1.00 0.00 O ATOM 0 H GLY A 67 -3.570 1.658 -10.588 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.623 2.448 -11.593 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.920 1.469 -13.016 1.00 0.00 H new ATOM 1064 N LEU A 68 -4.035 3.887 -12.310 1.00 0.00 N ATOM 1065 CA LEU A 68 -4.727 5.043 -12.865 1.00 0.00 C ATOM 1066 C LEU A 68 -4.467 6.290 -12.025 1.00 0.00 C ATOM 1067 O LEU A 68 -4.050 7.325 -12.544 1.00 0.00 O ATOM 1068 CB LEU A 68 -6.231 4.774 -12.944 1.00 0.00 C ATOM 1069 CG LEU A 68 -6.660 3.815 -14.055 1.00 0.00 C ATOM 1070 CD1 LEU A 68 -8.170 3.633 -14.050 1.00 0.00 C ATOM 1071 CD2 LEU A 68 -6.186 4.322 -15.408 1.00 0.00 C ATOM 0 H LEU A 68 -4.382 3.585 -11.400 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.341 5.216 -13.870 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.563 4.370 -11.988 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.747 5.723 -13.085 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.198 2.845 -13.871 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.456 2.947 -14.847 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.484 3.224 -13.090 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.653 4.597 -14.209 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.500 3.627 -16.187 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.619 5.304 -15.601 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.099 4.399 -15.407 1.00 0.00 H new ATOM 1083 N LYS A 69 -4.717 6.183 -10.724 1.00 0.00 N ATOM 1084 CA LYS A 69 -4.510 7.301 -9.811 1.00 0.00 C ATOM 1085 C LYS A 69 -3.196 7.149 -9.051 1.00 0.00 C ATOM 1086 O LYS A 69 -2.772 6.036 -8.741 1.00 0.00 O ATOM 1087 CB LYS A 69 -5.675 7.403 -8.825 1.00 0.00 C ATOM 1088 CG LYS A 69 -6.807 8.292 -9.311 1.00 0.00 C ATOM 1089 CD LYS A 69 -6.377 9.749 -9.391 1.00 0.00 C ATOM 1090 CE LYS A 69 -7.476 10.682 -8.909 1.00 0.00 C ATOM 1091 NZ LYS A 69 -8.594 10.775 -9.889 1.00 0.00 N ATOM 0 H LYS A 69 -5.063 5.333 -10.278 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.462 8.216 -10.402 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.066 6.404 -8.633 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.304 7.788 -7.875 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.139 7.955 -10.293 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.659 8.199 -8.637 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -5.481 9.899 -8.788 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -6.114 9.996 -10.420 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.860 10.327 -7.953 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.060 11.675 -8.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -9.323 11.420 -9.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -8.233 11.138 -10.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -9.008 9.832 -10.034 1.00 0.00 H new ATOM 1105 N LYS A 70 -2.558 8.276 -8.754 1.00 0.00 N ATOM 1106 CA LYS A 70 -1.291 8.271 -8.030 1.00 0.00 C ATOM 1107 C LYS A 70 -1.450 8.912 -6.655 1.00 0.00 C ATOM 1108 O LYS A 70 -1.828 10.078 -6.542 1.00 0.00 O ATOM 1109 CB LYS A 70 -0.218 9.011 -8.830 1.00 0.00 C ATOM 1110 CG LYS A 70 -0.690 10.341 -9.397 1.00 0.00 C ATOM 1111 CD LYS A 70 0.391 11.003 -10.236 1.00 0.00 C ATOM 1112 CE LYS A 70 1.221 11.972 -9.410 1.00 0.00 C ATOM 1113 NZ LYS A 70 2.507 12.311 -10.079 1.00 0.00 N ATOM 0 H LYS A 70 -2.897 9.205 -9.003 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.982 7.235 -7.895 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.646 9.185 -8.189 1.00 0.00 H new ATOM 0 HB3 LYS A 70 0.116 8.374 -9.649 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.580 10.183 -10.007 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.977 11.005 -8.581 1.00 0.00 H new ATOM 0 HD2 LYS A 70 1.040 10.239 -10.664 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -0.068 11.534 -11.070 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.650 12.884 -9.238 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.424 11.534 -8.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.044 12.974 -9.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.064 11.444 -10.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.313 12.752 -11.001 1.00 0.00 H new ATOM 1127 N ILE A 71 -1.162 8.142 -5.611 1.00 0.00 N ATOM 1128 CA ILE A 71 -1.273 8.635 -4.244 1.00 0.00 C ATOM 1129 C ILE A 71 -0.198 9.673 -3.944 1.00 0.00 C ATOM 1130 O ILE A 71 0.996 9.377 -3.995 1.00 0.00 O ATOM 1131 CB ILE A 71 -1.164 7.486 -3.222 1.00 0.00 C ATOM 1132 CG1 ILE A 71 -2.139 6.363 -3.579 1.00 0.00 C ATOM 1133 CG2 ILE A 71 -1.431 7.999 -1.815 1.00 0.00 C ATOM 1134 CD1 ILE A 71 -3.591 6.783 -3.531 1.00 0.00 C ATOM 0 H ILE A 71 -0.850 7.174 -5.686 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.255 9.099 -4.154 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.150 7.086 -3.255 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.908 5.997 -4.580 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.988 5.530 -2.892 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.350 7.175 -1.106 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.700 8.768 -1.563 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.434 8.422 -1.766 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -4.224 5.936 -3.796 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -3.839 7.121 -2.525 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -3.758 7.595 -4.238 1.00 0.00 H new ATOM 1146 N SER A 72 -0.630 10.890 -3.631 1.00 0.00 N ATOM 1147 CA SER A 72 0.294 11.975 -3.320 1.00 0.00 C ATOM 1148 C SER A 72 0.216 12.349 -1.844 1.00 0.00 C ATOM 1149 O SER A 72 1.213 12.745 -1.240 1.00 0.00 O ATOM 1150 CB SER A 72 -0.014 13.198 -4.185 1.00 0.00 C ATOM 1151 OG SER A 72 1.178 13.858 -4.579 1.00 0.00 O ATOM 0 H SER A 72 -1.615 11.150 -3.586 1.00 0.00 H new ATOM 0 HA SER A 72 1.306 11.631 -3.536 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.572 12.891 -5.069 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.650 13.889 -3.631 1.00 0.00 H new ATOM 0 HG SER A 72 0.954 14.635 -5.132 1.00 0.00 H new ATOM 1157 N SER A 73 -0.975 12.221 -1.268 1.00 0.00 N ATOM 1158 CA SER A 73 -1.185 12.546 0.139 1.00 0.00 C ATOM 1159 C SER A 73 -1.770 11.355 0.891 1.00 0.00 C ATOM 1160 O SER A 73 -1.958 10.280 0.321 1.00 0.00 O ATOM 1161 CB SER A 73 -2.113 13.754 0.271 1.00 0.00 C ATOM 1162 OG SER A 73 -1.454 14.949 -0.116 1.00 0.00 O ATOM 0 H SER A 73 -1.810 11.894 -1.754 1.00 0.00 H new ATOM 0 HA SER A 73 -0.218 12.790 0.579 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.998 13.606 -0.348 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.456 13.842 1.302 1.00 0.00 H new ATOM 0 HG SER A 73 -2.069 15.706 -0.024 1.00 0.00 H new ATOM 1168 N LEU A 74 -2.053 11.553 2.173 1.00 0.00 N ATOM 1169 CA LEU A 74 -2.617 10.493 3.004 1.00 0.00 C ATOM 1170 C LEU A 74 -4.141 10.533 2.980 1.00 0.00 C ATOM 1171 O LEU A 74 -4.801 9.500 3.095 1.00 0.00 O ATOM 1172 CB LEU A 74 -2.114 10.625 4.444 1.00 0.00 C ATOM 1173 CG LEU A 74 -0.595 10.565 4.607 1.00 0.00 C ATOM 1174 CD1 LEU A 74 -0.151 11.416 5.786 1.00 0.00 C ATOM 1175 CD2 LEU A 74 -0.135 9.125 4.783 1.00 0.00 C ATOM 0 H LEU A 74 -1.902 12.436 2.660 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.292 9.535 2.598 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.471 11.571 4.852 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.560 9.831 5.043 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.135 10.965 3.703 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.933 11.361 5.887 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.448 12.451 5.620 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.619 11.046 6.698 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.949 9.101 4.898 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.603 8.699 5.670 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.420 8.542 3.907 1.00 0.00 H new ATOM 1187 N ASP A 75 -4.695 11.732 2.831 1.00 0.00 N ATOM 1188 CA ASP A 75 -6.143 11.906 2.792 1.00 0.00 C ATOM 1189 C ASP A 75 -6.738 11.234 1.559 1.00 0.00 C ATOM 1190 O ASP A 75 -7.871 10.754 1.587 1.00 0.00 O ATOM 1191 CB ASP A 75 -6.500 13.394 2.799 1.00 0.00 C ATOM 1192 CG ASP A 75 -6.117 14.074 4.098 1.00 0.00 C ATOM 1193 OD1 ASP A 75 -6.677 13.702 5.152 1.00 0.00 O ATOM 1194 OD2 ASP A 75 -5.256 14.978 4.064 1.00 0.00 O ATOM 0 H ASP A 75 -4.164 12.597 2.735 1.00 0.00 H new ATOM 0 HA ASP A 75 -6.565 11.435 3.680 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -5.995 13.890 1.970 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -7.571 13.509 2.634 1.00 0.00 H new ATOM 1199 N GLN A 76 -5.967 11.203 0.477 1.00 0.00 N ATOM 1200 CA GLN A 76 -6.418 10.590 -0.766 1.00 0.00 C ATOM 1201 C GLN A 76 -6.730 9.111 -0.562 1.00 0.00 C ATOM 1202 O GLN A 76 -7.610 8.556 -1.221 1.00 0.00 O ATOM 1203 CB GLN A 76 -5.355 10.753 -1.854 1.00 0.00 C ATOM 1204 CG GLN A 76 -4.897 12.190 -2.048 1.00 0.00 C ATOM 1205 CD GLN A 76 -5.081 12.677 -3.472 1.00 0.00 C ATOM 1206 OE1 GLN A 76 -6.039 13.386 -3.779 1.00 0.00 O ATOM 1207 NE2 GLN A 76 -4.162 12.297 -4.351 1.00 0.00 N ATOM 0 H GLN A 76 -5.026 11.596 0.436 1.00 0.00 H new ATOM 0 HA GLN A 76 -7.331 11.095 -1.080 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -4.492 10.136 -1.602 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -5.752 10.377 -2.797 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.454 12.839 -1.372 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -3.845 12.272 -1.774 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -3.384 11.709 -4.053 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -4.234 12.593 -5.324 1.00 0.00 H new ATOM 1216 N LEU A 77 -6.004 8.480 0.354 1.00 0.00 N ATOM 1217 CA LEU A 77 -6.204 7.065 0.645 1.00 0.00 C ATOM 1218 C LEU A 77 -7.607 6.813 1.189 1.00 0.00 C ATOM 1219 O LEU A 77 -8.249 7.720 1.720 1.00 0.00 O ATOM 1220 CB LEU A 77 -5.159 6.577 1.651 1.00 0.00 C ATOM 1221 CG LEU A 77 -3.744 6.423 1.091 1.00 0.00 C ATOM 1222 CD1 LEU A 77 -2.731 6.326 2.222 1.00 0.00 C ATOM 1223 CD2 LEU A 77 -3.659 5.201 0.190 1.00 0.00 C ATOM 0 H LEU A 77 -5.272 8.925 0.908 1.00 0.00 H new ATOM 0 HA LEU A 77 -6.090 6.509 -0.286 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -5.128 7.275 2.488 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.482 5.615 2.050 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.510 7.306 0.496 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.730 6.217 1.805 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.775 7.231 2.828 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.962 5.461 2.844 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.646 5.106 -0.200 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.912 4.309 0.762 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.358 5.311 -0.639 1.00 0.00 H new ATOM 1235 N VAL A 78 -8.075 5.576 1.055 1.00 0.00 N ATOM 1236 CA VAL A 78 -9.401 5.206 1.534 1.00 0.00 C ATOM 1237 C VAL A 78 -9.340 3.962 2.414 1.00 0.00 C ATOM 1238 O VAL A 78 -8.387 3.187 2.343 1.00 0.00 O ATOM 1239 CB VAL A 78 -10.369 4.946 0.364 1.00 0.00 C ATOM 1240 CG1 VAL A 78 -11.789 4.758 0.876 1.00 0.00 C ATOM 1241 CG2 VAL A 78 -10.304 6.083 -0.645 1.00 0.00 C ATOM 0 H VAL A 78 -7.556 4.814 0.619 1.00 0.00 H new ATOM 0 HA VAL A 78 -9.771 6.046 2.122 1.00 0.00 H new ATOM 0 HB VAL A 78 -10.065 4.027 -0.138 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -12.458 4.576 0.035 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.821 3.907 1.556 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -12.107 5.657 1.404 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -10.994 5.882 -1.464 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -10.581 7.018 -0.158 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -9.290 6.164 -1.037 1.00 0.00 H new ATOM 1251 N GLU A 79 -10.362 3.779 3.244 1.00 0.00 N ATOM 1252 CA GLU A 79 -10.424 2.629 4.139 1.00 0.00 C ATOM 1253 C GLU A 79 -10.737 1.352 3.365 1.00 0.00 C ATOM 1254 O GLU A 79 -11.890 1.088 3.026 1.00 0.00 O ATOM 1255 CB GLU A 79 -11.481 2.855 5.222 1.00 0.00 C ATOM 1256 CG GLU A 79 -11.081 2.312 6.583 1.00 0.00 C ATOM 1257 CD GLU A 79 -11.733 0.978 6.892 1.00 0.00 C ATOM 1258 OE1 GLU A 79 -12.847 0.729 6.382 1.00 0.00 O ATOM 1259 OE2 GLU A 79 -11.132 0.182 7.642 1.00 0.00 O ATOM 0 H GLU A 79 -11.158 4.412 3.315 1.00 0.00 H new ATOM 0 HA GLU A 79 -9.448 2.516 4.611 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.677 3.924 5.310 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -12.414 2.384 4.912 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.997 2.200 6.622 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.355 3.033 7.353 1.00 0.00 H new ATOM 1266 N GLY A 80 -9.703 0.565 3.089 1.00 0.00 N ATOM 1267 CA GLY A 80 -9.889 -0.675 2.359 1.00 0.00 C ATOM 1268 C GLY A 80 -9.605 -0.522 0.877 1.00 0.00 C ATOM 1269 O GLY A 80 -10.527 -0.508 0.060 1.00 0.00 O ATOM 0 H GLY A 80 -8.739 0.764 3.358 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.233 -1.440 2.775 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -10.913 -1.024 2.496 1.00 0.00 H new ATOM 1273 N GLU A 81 -8.328 -0.408 0.529 1.00 0.00 N ATOM 1274 CA GLU A 81 -7.926 -0.256 -0.864 1.00 0.00 C ATOM 1275 C GLU A 81 -6.546 -0.863 -1.102 1.00 0.00 C ATOM 1276 O GLU A 81 -5.941 -1.429 -0.192 1.00 0.00 O ATOM 1277 CB GLU A 81 -7.921 1.222 -1.258 1.00 0.00 C ATOM 1278 CG GLU A 81 -9.242 1.704 -1.832 1.00 0.00 C ATOM 1279 CD GLU A 81 -9.352 1.459 -3.325 1.00 0.00 C ATOM 1280 OE1 GLU A 81 -8.300 1.333 -3.985 1.00 0.00 O ATOM 1281 OE2 GLU A 81 -10.492 1.393 -3.833 1.00 0.00 O ATOM 0 H GLU A 81 -7.554 -0.418 1.193 1.00 0.00 H new ATOM 0 HA GLU A 81 -8.648 -0.787 -1.484 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -7.675 1.822 -0.382 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -7.133 1.391 -1.992 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -10.062 1.197 -1.323 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -9.353 2.770 -1.633 1.00 0.00 H new ATOM 1288 N SER A 82 -6.056 -0.739 -2.331 1.00 0.00 N ATOM 1289 CA SER A 82 -4.747 -1.274 -2.689 1.00 0.00 C ATOM 1290 C SER A 82 -3.952 -0.264 -3.508 1.00 0.00 C ATOM 1291 O SER A 82 -4.513 0.471 -4.321 1.00 0.00 O ATOM 1292 CB SER A 82 -4.904 -2.577 -3.477 1.00 0.00 C ATOM 1293 OG SER A 82 -5.703 -3.508 -2.769 1.00 0.00 O ATOM 0 H SER A 82 -6.545 -0.273 -3.095 1.00 0.00 H new ATOM 0 HA SER A 82 -4.201 -1.478 -1.768 1.00 0.00 H new ATOM 0 HB2 SER A 82 -5.357 -2.367 -4.446 1.00 0.00 H new ATOM 0 HB3 SER A 82 -3.922 -3.009 -3.671 1.00 0.00 H new ATOM 0 HG SER A 82 -5.789 -4.331 -3.294 1.00 0.00 H new ATOM 1299 N TYR A 83 -2.641 -0.232 -3.288 1.00 0.00 N ATOM 1300 CA TYR A 83 -1.768 0.689 -4.006 1.00 0.00 C ATOM 1301 C TYR A 83 -0.382 0.083 -4.202 1.00 0.00 C ATOM 1302 O TYR A 83 0.096 -0.683 -3.366 1.00 0.00 O ATOM 1303 CB TYR A 83 -1.658 2.013 -3.248 1.00 0.00 C ATOM 1304 CG TYR A 83 -2.997 2.613 -2.883 1.00 0.00 C ATOM 1305 CD1 TYR A 83 -3.631 2.273 -1.695 1.00 0.00 C ATOM 1306 CD2 TYR A 83 -3.626 3.520 -3.726 1.00 0.00 C ATOM 1307 CE1 TYR A 83 -4.855 2.820 -1.358 1.00 0.00 C ATOM 1308 CE2 TYR A 83 -4.849 4.071 -3.396 1.00 0.00 C ATOM 1309 CZ TYR A 83 -5.459 3.719 -2.212 1.00 0.00 C ATOM 1310 OH TYR A 83 -6.678 4.267 -1.880 1.00 0.00 O ATOM 0 H TYR A 83 -2.161 -0.833 -2.618 1.00 0.00 H new ATOM 0 HA TYR A 83 -2.204 0.876 -4.987 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -1.080 1.854 -2.338 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -1.103 2.726 -3.858 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -3.160 1.570 -1.024 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -3.151 3.799 -4.655 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -5.336 2.545 -0.431 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -5.325 4.775 -4.063 1.00 0.00 H new ATOM 0 HH TYR A 83 -6.964 4.881 -2.588 1.00 0.00 H new ATOM 1320 N VAL A 84 0.259 0.432 -5.314 1.00 0.00 N ATOM 1321 CA VAL A 84 1.589 -0.079 -5.620 1.00 0.00 C ATOM 1322 C VAL A 84 2.638 1.023 -5.510 1.00 0.00 C ATOM 1323 O VAL A 84 2.506 2.083 -6.123 1.00 0.00 O ATOM 1324 CB VAL A 84 1.646 -0.686 -7.034 1.00 0.00 C ATOM 1325 CG1 VAL A 84 2.977 -1.385 -7.263 1.00 0.00 C ATOM 1326 CG2 VAL A 84 0.486 -1.647 -7.248 1.00 0.00 C ATOM 0 H VAL A 84 -0.122 1.066 -6.017 1.00 0.00 H new ATOM 0 HA VAL A 84 1.805 -0.859 -4.889 1.00 0.00 H new ATOM 0 HB VAL A 84 1.558 0.122 -7.761 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.998 -1.807 -8.268 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.789 -0.666 -7.155 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.099 -2.183 -6.531 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.542 -2.067 -8.252 1.00 0.00 H new ATOM 0 HG22 VAL A 84 0.540 -2.452 -6.515 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.456 -1.112 -7.130 1.00 0.00 H new ATOM 1336 N CYS A 85 3.679 0.766 -4.726 1.00 0.00 N ATOM 1337 CA CYS A 85 4.751 1.735 -4.536 1.00 0.00 C ATOM 1338 C CYS A 85 5.627 1.827 -5.781 1.00 0.00 C ATOM 1339 O CYS A 85 5.783 0.852 -6.517 1.00 0.00 O ATOM 1340 CB CYS A 85 5.604 1.355 -3.325 1.00 0.00 C ATOM 1341 SG CYS A 85 4.907 1.871 -1.740 1.00 0.00 S ATOM 0 H CYS A 85 3.803 -0.106 -4.212 1.00 0.00 H new ATOM 0 HA CYS A 85 4.297 2.710 -4.359 1.00 0.00 H new ATOM 0 HB2 CYS A 85 5.740 0.274 -3.315 1.00 0.00 H new ATOM 0 HB3 CYS A 85 6.593 1.800 -3.437 1.00 0.00 H new ATOM 0 HG CYS A 85 3.665 1.495 -1.669 1.00 0.00 H new ATOM 1347 N GLY A 86 6.199 3.005 -6.010 1.00 0.00 N ATOM 1348 CA GLY A 86 7.052 3.202 -7.167 1.00 0.00 C ATOM 1349 C GLY A 86 8.116 4.256 -6.927 1.00 0.00 C ATOM 1350 O GLY A 86 7.877 5.240 -6.228 1.00 0.00 O ATOM 0 H GLY A 86 6.087 3.826 -5.415 1.00 0.00 H new ATOM 0 HA2 GLY A 86 7.531 2.258 -7.427 1.00 0.00 H new ATOM 0 HA3 GLY A 86 6.440 3.494 -8.021 1.00 0.00 H new ATOM 1354 N SER A 87 9.293 4.049 -7.508 1.00 0.00 N ATOM 1355 CA SER A 87 10.396 4.988 -7.353 1.00 0.00 C ATOM 1356 C SER A 87 10.658 5.740 -8.654 1.00 0.00 C ATOM 1357 O SER A 87 10.438 6.949 -8.739 1.00 0.00 O ATOM 1358 CB SER A 87 11.664 4.252 -6.914 1.00 0.00 C ATOM 1359 OG SER A 87 12.677 5.164 -6.530 1.00 0.00 O ATOM 0 H SER A 87 9.507 3.239 -8.090 1.00 0.00 H new ATOM 0 HA SER A 87 10.118 5.710 -6.585 1.00 0.00 H new ATOM 0 HB2 SER A 87 11.433 3.589 -6.081 1.00 0.00 H new ATOM 0 HB3 SER A 87 12.025 3.625 -7.729 1.00 0.00 H new ATOM 0 HG SER A 87 12.789 5.138 -5.557 1.00 0.00 H new ATOM 1365 N ILE A 88 11.129 5.018 -9.665 1.00 0.00 N ATOM 1366 CA ILE A 88 11.421 5.619 -10.961 1.00 0.00 C ATOM 1367 C ILE A 88 10.891 4.760 -12.107 1.00 0.00 C ATOM 1368 O ILE A 88 10.391 5.282 -13.104 1.00 0.00 O ATOM 1369 CB ILE A 88 12.935 5.844 -11.156 1.00 0.00 C ATOM 1370 CG1 ILE A 88 13.711 4.538 -10.947 1.00 0.00 C ATOM 1371 CG2 ILE A 88 13.436 6.925 -10.209 1.00 0.00 C ATOM 1372 CD1 ILE A 88 13.768 4.080 -9.505 1.00 0.00 C ATOM 0 H ILE A 88 11.317 4.017 -9.612 1.00 0.00 H new ATOM 0 HA ILE A 88 10.916 6.585 -10.975 1.00 0.00 H new ATOM 0 HB ILE A 88 13.104 6.176 -12.180 1.00 0.00 H new ATOM 0 HG12 ILE A 88 13.251 3.754 -11.549 1.00 0.00 H new ATOM 0 HG13 ILE A 88 14.728 4.668 -11.317 1.00 0.00 H new ATOM 0 HG21 ILE A 88 14.506 7.072 -10.358 1.00 0.00 H new ATOM 0 HG22 ILE A 88 12.910 7.858 -10.411 1.00 0.00 H new ATOM 0 HG23 ILE A 88 13.252 6.620 -9.179 1.00 0.00 H new ATOM 0 HD11 ILE A 88 14.334 3.150 -9.441 1.00 0.00 H new ATOM 0 HD12 ILE A 88 14.256 4.844 -8.900 1.00 0.00 H new ATOM 0 HD13 ILE A 88 12.756 3.915 -9.135 1.00 0.00 H new ATOM 1384 N GLU A 89 11.005 3.442 -11.963 1.00 0.00 N ATOM 1385 CA GLU A 89 10.538 2.519 -12.989 1.00 0.00 C ATOM 1386 C GLU A 89 9.035 2.667 -13.214 1.00 0.00 C ATOM 1387 O GLU A 89 8.286 2.959 -12.281 1.00 0.00 O ATOM 1388 CB GLU A 89 10.866 1.078 -12.595 1.00 0.00 C ATOM 1389 CG GLU A 89 10.495 0.741 -11.159 1.00 0.00 C ATOM 1390 CD GLU A 89 11.674 0.230 -10.355 1.00 0.00 C ATOM 1391 OE1 GLU A 89 12.193 -0.857 -10.688 1.00 0.00 O ATOM 1392 OE2 GLU A 89 12.080 0.916 -9.393 1.00 0.00 O ATOM 0 H GLU A 89 11.417 2.991 -11.146 1.00 0.00 H new ATOM 0 HA GLU A 89 11.051 2.761 -13.920 1.00 0.00 H new ATOM 0 HB2 GLU A 89 10.341 0.398 -13.266 1.00 0.00 H new ATOM 0 HB3 GLU A 89 11.933 0.905 -12.736 1.00 0.00 H new ATOM 0 HG2 GLU A 89 10.088 1.629 -10.675 1.00 0.00 H new ATOM 0 HG3 GLU A 89 9.707 -0.012 -11.159 1.00 0.00 H new ATOM 1399 N PRO A 90 8.572 2.468 -14.461 1.00 0.00 N ATOM 1400 CA PRO A 90 7.149 2.581 -14.801 1.00 0.00 C ATOM 1401 C PRO A 90 6.269 1.715 -13.905 1.00 0.00 C ATOM 1402 O PRO A 90 6.748 1.114 -12.943 1.00 0.00 O ATOM 1403 CB PRO A 90 7.085 2.086 -16.248 1.00 0.00 C ATOM 1404 CG PRO A 90 8.454 2.315 -16.789 1.00 0.00 C ATOM 1405 CD PRO A 90 9.394 2.116 -15.633 1.00 0.00 C ATOM 0 HA PRO A 90 6.780 3.598 -14.668 1.00 0.00 H new ATOM 0 HB2 PRO A 90 6.813 1.032 -16.294 1.00 0.00 H new ATOM 0 HB3 PRO A 90 6.337 2.634 -16.821 1.00 0.00 H new ATOM 0 HG2 PRO A 90 8.676 1.618 -17.597 1.00 0.00 H new ATOM 0 HG3 PRO A 90 8.548 3.320 -17.200 1.00 0.00 H new ATOM 0 HD2 PRO A 90 9.752 1.088 -15.579 1.00 0.00 H new ATOM 0 HD3 PRO A 90 10.273 2.756 -15.715 1.00 0.00 H new ATOM 1413 N PHE A 91 4.982 1.656 -14.228 1.00 0.00 N ATOM 1414 CA PHE A 91 4.035 0.863 -13.451 1.00 0.00 C ATOM 1415 C PHE A 91 3.791 -0.491 -14.110 1.00 0.00 C ATOM 1416 O PHE A 91 3.218 -0.570 -15.197 1.00 0.00 O ATOM 1417 CB PHE A 91 2.712 1.616 -13.298 1.00 0.00 C ATOM 1418 CG PHE A 91 1.752 0.953 -12.353 1.00 0.00 C ATOM 1419 CD1 PHE A 91 0.989 -0.129 -12.764 1.00 0.00 C ATOM 1420 CD2 PHE A 91 1.612 1.412 -11.053 1.00 0.00 C ATOM 1421 CE1 PHE A 91 0.105 -0.740 -11.896 1.00 0.00 C ATOM 1422 CE2 PHE A 91 0.729 0.805 -10.180 1.00 0.00 C ATOM 1423 CZ PHE A 91 -0.026 -0.273 -10.602 1.00 0.00 C ATOM 0 H PHE A 91 4.570 2.147 -15.022 1.00 0.00 H new ATOM 0 HA PHE A 91 4.464 0.694 -12.463 1.00 0.00 H new ATOM 0 HB2 PHE A 91 2.917 2.627 -12.945 1.00 0.00 H new ATOM 0 HB3 PHE A 91 2.241 1.709 -14.276 1.00 0.00 H new ATOM 0 HD1 PHE A 91 1.087 -0.498 -13.774 1.00 0.00 H new ATOM 0 HD2 PHE A 91 2.200 2.254 -10.718 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -0.484 -1.582 -12.229 1.00 0.00 H new ATOM 0 HE2 PHE A 91 0.629 1.173 -9.169 1.00 0.00 H new ATOM 0 HZ PHE A 91 -0.717 -0.749 -9.922 1.00 0.00 H new ATOM 1433 N LYS A 92 4.231 -1.555 -13.445 1.00 0.00 N ATOM 1434 CA LYS A 92 4.061 -2.905 -13.966 1.00 0.00 C ATOM 1435 C LYS A 92 2.786 -3.542 -13.423 1.00 0.00 C ATOM 1436 O LYS A 92 2.559 -3.567 -12.214 1.00 0.00 O ATOM 1437 CB LYS A 92 5.270 -3.769 -13.603 1.00 0.00 C ATOM 1438 CG LYS A 92 6.562 -3.316 -14.264 1.00 0.00 C ATOM 1439 CD LYS A 92 7.707 -3.239 -13.265 1.00 0.00 C ATOM 1440 CE LYS A 92 8.804 -2.305 -13.748 1.00 0.00 C ATOM 1441 NZ LYS A 92 8.384 -0.877 -13.690 1.00 0.00 N ATOM 0 H LYS A 92 4.708 -1.507 -12.545 1.00 0.00 H new ATOM 0 HA LYS A 92 3.980 -2.841 -15.051 1.00 0.00 H new ATOM 0 HB2 LYS A 92 5.402 -3.758 -12.521 1.00 0.00 H new ATOM 0 HB3 LYS A 92 5.068 -4.801 -13.889 1.00 0.00 H new ATOM 0 HG2 LYS A 92 6.823 -4.008 -15.065 1.00 0.00 H new ATOM 0 HG3 LYS A 92 6.413 -2.339 -14.723 1.00 0.00 H new ATOM 0 HD2 LYS A 92 7.330 -2.892 -12.303 1.00 0.00 H new ATOM 0 HD3 LYS A 92 8.120 -4.235 -13.105 1.00 0.00 H new ATOM 0 HE2 LYS A 92 9.696 -2.446 -13.137 1.00 0.00 H new ATOM 0 HE3 LYS A 92 9.075 -2.562 -14.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 8.830 -0.352 -14.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 7.350 -0.816 -13.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 8.679 -0.465 -12.782 1.00 0.00 H new ATOM 1455 N LYS A 93 1.957 -4.056 -14.326 1.00 0.00 N ATOM 1456 CA LYS A 93 0.705 -4.694 -13.939 1.00 0.00 C ATOM 1457 C LYS A 93 0.920 -6.175 -13.642 1.00 0.00 C ATOM 1458 O LYS A 93 1.085 -6.984 -14.555 1.00 0.00 O ATOM 1459 CB LYS A 93 -0.341 -4.524 -15.043 1.00 0.00 C ATOM 1460 CG LYS A 93 -1.624 -3.864 -14.569 1.00 0.00 C ATOM 1461 CD LYS A 93 -2.588 -3.628 -15.721 1.00 0.00 C ATOM 1462 CE LYS A 93 -4.034 -3.768 -15.275 1.00 0.00 C ATOM 1463 NZ LYS A 93 -4.943 -4.054 -16.419 1.00 0.00 N ATOM 0 H LYS A 93 2.130 -4.043 -15.331 1.00 0.00 H new ATOM 0 HA LYS A 93 0.343 -4.211 -13.032 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.087 -3.929 -15.849 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.578 -5.502 -15.461 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.101 -4.492 -13.817 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.390 -2.914 -14.089 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -2.428 -2.631 -16.132 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -2.382 -4.340 -16.521 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.111 -4.570 -14.541 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -4.352 -2.850 -14.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -5.920 -4.142 -16.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -4.889 -3.277 -17.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -4.656 -4.943 -16.876 1.00 0.00 H new ATOM 1477 N LEU A 94 0.916 -6.523 -12.359 1.00 0.00 N ATOM 1478 CA LEU A 94 1.112 -7.907 -11.941 1.00 0.00 C ATOM 1479 C LEU A 94 -0.102 -8.419 -11.173 1.00 0.00 C ATOM 1480 O LEU A 94 -0.949 -7.639 -10.738 1.00 0.00 O ATOM 1481 CB LEU A 94 2.365 -8.028 -11.074 1.00 0.00 C ATOM 1482 CG LEU A 94 3.675 -8.191 -11.848 1.00 0.00 C ATOM 1483 CD1 LEU A 94 4.862 -8.177 -10.898 1.00 0.00 C ATOM 1484 CD2 LEU A 94 3.656 -9.477 -12.661 1.00 0.00 C ATOM 0 H LEU A 94 0.779 -5.866 -11.591 1.00 0.00 H new ATOM 0 HA LEU A 94 1.238 -8.516 -12.836 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.440 -7.141 -10.445 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.246 -8.882 -10.407 1.00 0.00 H new ATOM 0 HG LEU A 94 3.776 -7.351 -12.535 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.785 -8.294 -11.467 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.886 -7.230 -10.359 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.768 -8.997 -10.186 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.595 -9.577 -13.205 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.532 -10.329 -11.992 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.828 -9.448 -13.369 1.00 0.00 H new ATOM 1496 N GLU A 95 -0.180 -9.735 -11.011 1.00 0.00 N ATOM 1497 CA GLU A 95 -1.291 -10.353 -10.295 1.00 0.00 C ATOM 1498 C GLU A 95 -1.072 -10.284 -8.787 1.00 0.00 C ATOM 1499 O GLU A 95 -0.527 -11.210 -8.186 1.00 0.00 O ATOM 1500 CB GLU A 95 -1.458 -11.810 -10.731 1.00 0.00 C ATOM 1501 CG GLU A 95 -1.623 -11.981 -12.232 1.00 0.00 C ATOM 1502 CD GLU A 95 -1.021 -13.276 -12.741 1.00 0.00 C ATOM 1503 OE1 GLU A 95 -0.889 -14.225 -11.939 1.00 0.00 O ATOM 1504 OE2 GLU A 95 -0.679 -13.340 -13.941 1.00 0.00 O ATOM 0 H GLU A 95 0.512 -10.395 -11.365 1.00 0.00 H new ATOM 0 HA GLU A 95 -2.199 -9.801 -10.538 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.590 -12.381 -10.402 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -2.327 -12.234 -10.228 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -2.683 -11.954 -12.483 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.154 -11.141 -12.743 1.00 0.00 H new ATOM 1511 N TYR A 96 -1.499 -9.181 -8.182 1.00 0.00 N ATOM 1512 CA TYR A 96 -1.350 -8.992 -6.743 1.00 0.00 C ATOM 1513 C TYR A 96 -2.549 -9.563 -5.993 1.00 0.00 C ATOM 1514 O TYR A 96 -2.406 -10.475 -5.178 1.00 0.00 O ATOM 1515 CB TYR A 96 -1.191 -7.506 -6.417 1.00 0.00 C ATOM 1516 CG TYR A 96 -0.058 -6.839 -7.164 1.00 0.00 C ATOM 1517 CD1 TYR A 96 1.265 -7.160 -6.890 1.00 0.00 C ATOM 1518 CD2 TYR A 96 -0.314 -5.887 -8.143 1.00 0.00 C ATOM 1519 CE1 TYR A 96 2.302 -6.552 -7.571 1.00 0.00 C ATOM 1520 CE2 TYR A 96 0.718 -5.275 -8.829 1.00 0.00 C ATOM 1521 CZ TYR A 96 2.024 -5.611 -8.539 1.00 0.00 C ATOM 1522 OH TYR A 96 3.054 -5.003 -9.219 1.00 0.00 O ATOM 0 H TYR A 96 -1.951 -8.404 -8.665 1.00 0.00 H new ATOM 0 HA TYR A 96 -0.455 -9.525 -6.422 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -2.122 -6.990 -6.651 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -1.024 -7.394 -5.346 1.00 0.00 H new ATOM 0 HD1 TYR A 96 1.487 -7.897 -6.132 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -1.335 -5.621 -8.372 1.00 0.00 H new ATOM 0 HE1 TYR A 96 3.326 -6.813 -7.346 1.00 0.00 H new ATOM 0 HE2 TYR A 96 0.503 -4.538 -9.588 1.00 0.00 H new ATOM 0 HH TYR A 96 2.687 -4.366 -9.867 1.00 0.00 H new ATOM 1532 N THR A 97 -3.728 -9.021 -6.275 1.00 0.00 N ATOM 1533 CA THR A 97 -4.953 -9.476 -5.628 1.00 0.00 C ATOM 1534 C THR A 97 -5.207 -10.953 -5.915 1.00 0.00 C ATOM 1535 O THR A 97 -5.873 -11.640 -5.139 1.00 0.00 O ATOM 1536 CB THR A 97 -6.144 -8.641 -6.100 1.00 0.00 C ATOM 1537 OG1 THR A 97 -6.018 -8.321 -7.475 1.00 0.00 O ATOM 1538 CG2 THR A 97 -6.301 -7.342 -5.339 1.00 0.00 C ATOM 0 H THR A 97 -3.862 -8.266 -6.947 1.00 0.00 H new ATOM 0 HA THR A 97 -4.833 -9.350 -4.552 1.00 0.00 H new ATOM 0 HB THR A 97 -7.023 -9.260 -5.917 1.00 0.00 H new ATOM 0 HG1 THR A 97 -6.790 -7.788 -7.759 1.00 0.00 H new ATOM 0 HG21 THR A 97 -7.164 -6.797 -5.723 1.00 0.00 H new ATOM 0 HG22 THR A 97 -6.448 -7.556 -4.280 1.00 0.00 H new ATOM 0 HG23 THR A 97 -5.404 -6.736 -5.465 1.00 0.00 H new ATOM 1546 N LYS A 98 -4.674 -11.440 -7.033 1.00 0.00 N ATOM 1547 CA LYS A 98 -4.844 -12.837 -7.419 1.00 0.00 C ATOM 1548 C LYS A 98 -4.380 -13.771 -6.306 1.00 0.00 C ATOM 1549 O LYS A 98 -5.091 -14.702 -5.926 1.00 0.00 O ATOM 1550 CB LYS A 98 -4.068 -13.130 -8.703 1.00 0.00 C ATOM 1551 CG LYS A 98 -4.421 -14.468 -9.334 1.00 0.00 C ATOM 1552 CD LYS A 98 -3.591 -14.734 -10.580 1.00 0.00 C ATOM 1553 CE LYS A 98 -3.628 -16.202 -10.972 1.00 0.00 C ATOM 1554 NZ LYS A 98 -3.045 -16.433 -12.322 1.00 0.00 N ATOM 0 H LYS A 98 -4.121 -10.887 -7.687 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.905 -13.012 -7.595 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -4.261 -12.335 -9.424 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -3.000 -13.111 -8.485 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -4.259 -15.267 -8.610 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -5.480 -14.482 -9.591 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.965 -14.127 -11.404 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -2.559 -14.430 -10.403 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -3.079 -16.788 -10.235 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -4.659 -16.556 -10.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -2.730 -17.421 -12.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -3.764 -16.241 -13.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -2.233 -15.799 -12.463 1.00 0.00 H new ATOM 1568 N ASN A 99 -3.183 -13.517 -5.787 1.00 0.00 N ATOM 1569 CA ASN A 99 -2.625 -14.336 -4.718 1.00 0.00 C ATOM 1570 C ASN A 99 -2.866 -13.693 -3.354 1.00 0.00 C ATOM 1571 O ASN A 99 -2.132 -13.949 -2.399 1.00 0.00 O ATOM 1572 CB ASN A 99 -1.126 -14.544 -4.938 1.00 0.00 C ATOM 1573 CG ASN A 99 -0.356 -13.238 -4.941 1.00 0.00 C ATOM 1574 OD1 ASN A 99 -0.026 -12.697 -3.885 1.00 0.00 O ATOM 1575 ND2 ASN A 99 -0.065 -12.725 -6.130 1.00 0.00 N ATOM 0 H ASN A 99 -2.581 -12.751 -6.089 1.00 0.00 H new ATOM 0 HA ASN A 99 -3.127 -15.303 -4.736 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -0.733 -15.193 -4.155 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -0.968 -15.058 -5.886 1.00 0.00 H new ATOM 0 HD21 ASN A 99 0.452 -11.848 -6.194 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -0.358 -13.208 -6.979 1.00 0.00 H new ATOM 1582 N VAL A 100 -3.896 -12.857 -3.270 1.00 0.00 N ATOM 1583 CA VAL A 100 -4.232 -12.180 -2.023 1.00 0.00 C ATOM 1584 C VAL A 100 -5.714 -11.824 -1.979 1.00 0.00 C ATOM 1585 O VAL A 100 -6.128 -10.781 -2.486 1.00 0.00 O ATOM 1586 CB VAL A 100 -3.404 -10.894 -1.837 1.00 0.00 C ATOM 1587 CG1 VAL A 100 -3.636 -10.302 -0.456 1.00 0.00 C ATOM 1588 CG2 VAL A 100 -1.925 -11.173 -2.063 1.00 0.00 C ATOM 0 H VAL A 100 -4.512 -12.632 -4.051 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.998 -12.872 -1.214 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.731 -10.165 -2.578 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.042 -9.395 -0.345 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -4.692 -10.062 -0.336 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -3.340 -11.025 0.304 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -1.356 -10.253 -1.927 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -1.582 -11.920 -1.347 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -1.776 -11.546 -3.076 1.00 0.00 H new ATOM 1598 N ASN A 101 -6.512 -12.698 -1.371 1.00 0.00 N ATOM 1599 CA ASN A 101 -7.949 -12.475 -1.264 1.00 0.00 C ATOM 1600 C ASN A 101 -8.246 -11.151 -0.560 1.00 0.00 C ATOM 1601 O ASN A 101 -7.593 -10.803 0.423 1.00 0.00 O ATOM 1602 CB ASN A 101 -8.610 -13.628 -0.507 1.00 0.00 C ATOM 1603 CG ASN A 101 -9.940 -14.030 -1.114 1.00 0.00 C ATOM 1604 OD1 ASN A 101 -11.029 -13.547 -0.526 1.00 0.00 O flip ATOM 1605 ND2 ASN A 101 -9.990 -14.764 -2.099 1.00 0.00 N flip ATOM 0 H ASN A 101 -6.187 -13.566 -0.946 1.00 0.00 H new ATOM 0 HA ASN A 101 -8.360 -12.429 -2.273 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -7.940 -14.488 -0.503 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -8.761 -13.337 0.533 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -9.129 -15.113 -2.519 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -10.893 -15.024 -2.496 1.00 0.00 H new ATOM 1612 N PRO A 102 -9.238 -10.391 -1.058 1.00 0.00 N ATOM 1613 CA PRO A 102 -9.615 -9.103 -0.474 1.00 0.00 C ATOM 1614 C PRO A 102 -10.525 -9.258 0.741 1.00 0.00 C ATOM 1615 O PRO A 102 -11.616 -8.689 0.789 1.00 0.00 O ATOM 1616 CB PRO A 102 -10.359 -8.420 -1.617 1.00 0.00 C ATOM 1617 CG PRO A 102 -10.992 -9.539 -2.371 1.00 0.00 C ATOM 1618 CD PRO A 102 -10.070 -10.725 -2.231 1.00 0.00 C ATOM 0 HA PRO A 102 -8.753 -8.546 -0.107 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -11.107 -7.721 -1.242 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -9.678 -7.850 -2.249 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -11.980 -9.766 -1.971 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -11.126 -9.273 -3.420 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -10.628 -11.648 -2.075 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -9.462 -10.866 -3.125 1.00 0.00 H new ATOM 1626 N ASN A 103 -10.070 -10.032 1.721 1.00 0.00 N ATOM 1627 CA ASN A 103 -10.844 -10.260 2.936 1.00 0.00 C ATOM 1628 C ASN A 103 -10.072 -9.795 4.167 1.00 0.00 C ATOM 1629 O ASN A 103 -10.088 -10.452 5.208 1.00 0.00 O ATOM 1630 CB ASN A 103 -11.197 -11.744 3.069 1.00 0.00 C ATOM 1631 CG ASN A 103 -12.505 -11.963 3.804 1.00 0.00 C ATOM 1632 OD1 ASN A 103 -13.581 -11.670 3.281 1.00 0.00 O ATOM 1633 ND2 ASN A 103 -12.419 -12.480 5.024 1.00 0.00 N ATOM 0 H ASN A 103 -9.170 -10.512 1.698 1.00 0.00 H new ATOM 0 HA ASN A 103 -11.764 -9.680 2.867 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -11.262 -12.190 2.076 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -10.395 -12.259 3.598 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -13.266 -12.649 5.567 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -11.506 -12.708 5.418 1.00 0.00 H new ATOM 1640 N TRP A 104 -9.398 -8.658 4.039 1.00 0.00 N ATOM 1641 CA TRP A 104 -8.619 -8.102 5.140 1.00 0.00 C ATOM 1642 C TRP A 104 -9.212 -6.778 5.614 1.00 0.00 C ATOM 1643 O TRP A 104 -9.183 -6.465 6.804 1.00 0.00 O ATOM 1644 CB TRP A 104 -7.164 -7.899 4.713 1.00 0.00 C ATOM 1645 CG TRP A 104 -7.014 -7.046 3.490 1.00 0.00 C ATOM 1646 CD1 TRP A 104 -7.284 -7.406 2.202 1.00 0.00 C ATOM 1647 CD2 TRP A 104 -6.557 -5.690 3.442 1.00 0.00 C ATOM 1648 NE1 TRP A 104 -7.024 -6.356 1.353 1.00 0.00 N ATOM 1649 CE2 TRP A 104 -6.577 -5.291 2.091 1.00 0.00 C ATOM 1650 CE3 TRP A 104 -6.134 -4.773 4.408 1.00 0.00 C ATOM 1651 CZ2 TRP A 104 -6.189 -4.017 1.685 1.00 0.00 C ATOM 1652 CZ3 TRP A 104 -5.749 -3.509 4.004 1.00 0.00 C ATOM 1653 CH2 TRP A 104 -5.779 -3.141 2.652 1.00 0.00 C ATOM 0 H TRP A 104 -9.375 -8.103 3.184 1.00 0.00 H new ATOM 0 HA TRP A 104 -8.652 -8.810 5.968 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -6.613 -7.442 5.535 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -6.709 -8.872 4.526 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -7.649 -8.375 1.894 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -7.144 -6.368 0.340 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -6.108 -5.048 5.452 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -6.211 -3.731 0.644 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -5.420 -2.793 4.742 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -5.472 -2.145 2.368 1.00 0.00 H new ATOM 1664 N SER A 105 -9.749 -6.005 4.675 1.00 0.00 N ATOM 1665 CA SER A 105 -10.349 -4.716 4.999 1.00 0.00 C ATOM 1666 C SER A 105 -11.872 -4.805 4.980 1.00 0.00 C ATOM 1667 O SER A 105 -12.557 -3.835 4.657 1.00 0.00 O ATOM 1668 CB SER A 105 -9.877 -3.648 4.011 1.00 0.00 C ATOM 1669 OG SER A 105 -8.559 -3.221 4.312 1.00 0.00 O ATOM 0 H SER A 105 -9.781 -6.249 3.685 1.00 0.00 H new ATOM 0 HA SER A 105 -10.032 -4.438 6.004 1.00 0.00 H new ATOM 0 HB2 SER A 105 -9.911 -4.046 2.997 1.00 0.00 H new ATOM 0 HB3 SER A 105 -10.555 -2.795 4.042 1.00 0.00 H new ATOM 0 HG SER A 105 -7.914 -3.821 3.882 1.00 0.00 H new