USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 448 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 46 THR OG1 : rot 160:sc= 1.7 USER MOD Set 1.2: A 50 THR OG1 : rot -4:sc= 0.0374 USER MOD Set 2.1: A 16 SER OG : rot -154:sc= -0.0537 USER MOD Set 2.2: A 28 MET CE :methyl -150:sc= -0.0391 (180deg=-0.333) USER MOD Set 3.1: A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.232 USER MOD Single : A 13 GLN : amide:sc= -3.33 K(o=-3.3,f=-1.6) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HE2:sc= -5.59! C(o=-5.6!,f=-10!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl -179:sc= -0.169 (180deg=-0.171) USER MOD Single : A 30 ASN : amide:sc= -6.76! C(o=-6.8!,f=-17!) USER MOD Single : A 31 LYS NZ :NH3+ -146:sc= -0.314 (180deg=-1.34!) USER MOD Single : A 34 LYS NZ :NH3+ 166:sc= -0.0157 (180deg=-0.24) USER MOD Single : A 35 SER OG : rot 180:sc= -0.944 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -1.7! X(o=-1.7!,f=-1.6) USER MOD Single : A 38 MET CE :methyl -123:sc= -0.0117 (180deg=-0.311) USER MOD Single : A 42 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.118) USER MOD Single : A 44 MET CE :methyl -149:sc= -1.07 (180deg=-2.88!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 161:sc= -2.04 (180deg=-2.82) USER MOD Single : A 55 LYS NZ :NH3+ 156:sc= -1.55! (180deg=-2.24!) USER MOD Single : A 57 ASN : amide:sc= -3.28! K(o=-3.3!,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 104 N LYS A 8 -5.703 2.828 -5.340 1.00 0.00 N ATOM 105 CA LYS A 8 -6.051 1.492 -4.852 1.00 0.00 C ATOM 106 C LYS A 8 -6.253 1.509 -3.341 1.00 0.00 C ATOM 107 O LYS A 8 -5.578 2.248 -2.624 1.00 0.00 O ATOM 108 CB LYS A 8 -4.933 0.506 -5.197 1.00 0.00 C ATOM 109 CG LYS A 8 -5.424 -0.934 -4.976 1.00 0.00 C ATOM 110 CD LYS A 8 -6.410 -1.367 -6.104 1.00 0.00 C ATOM 111 CE LYS A 8 -7.791 -1.694 -5.516 1.00 0.00 C ATOM 112 NZ LYS A 8 -8.666 -2.252 -6.586 1.00 0.00 N ATOM 0 HA LYS A 8 -6.979 1.182 -5.332 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.624 0.640 -6.234 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.059 0.701 -4.576 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -4.572 -1.613 -4.952 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.918 -1.009 -4.007 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -6.502 -0.569 -6.841 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.015 -2.239 -6.626 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -7.691 -2.412 -4.702 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -8.241 -0.795 -5.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -9.601 -2.474 -6.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -8.771 -1.553 -7.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -8.237 -3.119 -6.968 1.00 0.00 H new ATOM 126 N THR A 9 -7.182 0.685 -2.863 1.00 0.00 N ATOM 127 CA THR A 9 -7.461 0.607 -1.433 1.00 0.00 C ATOM 128 C THR A 9 -8.036 -0.759 -1.077 1.00 0.00 C ATOM 129 O THR A 9 -9.164 -1.085 -1.446 1.00 0.00 O ATOM 130 CB THR A 9 -8.457 1.700 -1.036 1.00 0.00 C ATOM 131 OG1 THR A 9 -7.959 2.965 -1.449 1.00 0.00 O ATOM 132 CG2 THR A 9 -8.647 1.695 0.482 1.00 0.00 C ATOM 0 H THR A 9 -7.751 0.066 -3.441 1.00 0.00 H new ATOM 0 HA THR A 9 -6.527 0.751 -0.889 1.00 0.00 H new ATOM 0 HB THR A 9 -9.415 1.511 -1.519 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.596 3.666 -1.197 1.00 0.00 H new ATOM 0 HG21 THR A 9 -9.356 2.474 0.762 1.00 0.00 H new ATOM 0 HG22 THR A 9 -9.030 0.725 0.798 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.690 1.883 0.969 1.00 0.00 H new ATOM 140 N TYR A 10 -7.251 -1.556 -0.350 1.00 0.00 N ATOM 141 CA TYR A 10 -7.683 -2.894 0.067 1.00 0.00 C ATOM 142 C TYR A 10 -7.978 -2.900 1.565 1.00 0.00 C ATOM 143 O TYR A 10 -7.060 -2.934 2.385 1.00 0.00 O ATOM 144 CB TYR A 10 -6.585 -3.921 -0.238 1.00 0.00 C ATOM 145 CG TYR A 10 -6.481 -4.158 -1.733 1.00 0.00 C ATOM 146 CD1 TYR A 10 -7.566 -4.699 -2.437 1.00 0.00 C ATOM 147 CD2 TYR A 10 -5.294 -3.845 -2.416 1.00 0.00 C ATOM 148 CE1 TYR A 10 -7.466 -4.924 -3.815 1.00 0.00 C ATOM 149 CE2 TYR A 10 -5.197 -4.071 -3.794 1.00 0.00 C ATOM 150 CZ TYR A 10 -6.283 -4.610 -4.494 1.00 0.00 C ATOM 151 OH TYR A 10 -6.186 -4.832 -5.852 1.00 0.00 O ATOM 0 H TYR A 10 -6.314 -1.300 -0.038 1.00 0.00 H new ATOM 0 HA TYR A 10 -8.586 -3.158 -0.483 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.629 -3.566 0.147 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -6.805 -4.860 0.271 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -8.480 -4.942 -1.916 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.455 -3.429 -1.877 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -8.303 -5.341 -4.355 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -4.284 -3.829 -4.318 1.00 0.00 H new ATOM 0 HH TYR A 10 -5.299 -4.558 -6.166 1.00 0.00 H new ATOM 161 N ASP A 11 -9.260 -2.862 1.917 1.00 0.00 N ATOM 162 CA ASP A 11 -9.654 -2.857 3.320 1.00 0.00 C ATOM 163 C ASP A 11 -9.408 -4.216 3.963 1.00 0.00 C ATOM 164 O ASP A 11 -10.306 -5.054 4.030 1.00 0.00 O ATOM 165 CB ASP A 11 -11.129 -2.495 3.450 1.00 0.00 C ATOM 166 CG ASP A 11 -11.342 -1.029 3.091 1.00 0.00 C ATOM 167 OD1 ASP A 11 -11.545 -0.749 1.921 1.00 0.00 O ATOM 168 OD2 ASP A 11 -11.296 -0.206 3.991 1.00 0.00 O ATOM 0 H ASP A 11 -10.036 -2.834 1.256 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.048 -2.112 3.835 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.726 -3.129 2.794 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.469 -2.681 4.469 1.00 0.00 H new ATOM 173 N LEU A 12 -8.188 -4.413 4.441 1.00 0.00 N ATOM 174 CA LEU A 12 -7.811 -5.667 5.090 1.00 0.00 C ATOM 175 C LEU A 12 -8.731 -5.953 6.277 1.00 0.00 C ATOM 176 O LEU A 12 -9.415 -5.059 6.778 1.00 0.00 O ATOM 177 CB LEU A 12 -6.339 -5.576 5.562 1.00 0.00 C ATOM 178 CG LEU A 12 -5.392 -6.335 4.609 1.00 0.00 C ATOM 179 CD1 LEU A 12 -5.676 -5.968 3.139 1.00 0.00 C ATOM 180 CD2 LEU A 12 -3.948 -5.964 4.967 1.00 0.00 C ATOM 0 H LEU A 12 -7.439 -3.722 4.393 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.913 -6.484 4.376 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.038 -4.530 5.619 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.252 -5.988 6.567 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.551 -7.407 4.722 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.995 -6.517 2.489 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.705 -6.230 2.891 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.530 -4.897 2.997 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.262 -6.491 4.304 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.810 -4.889 4.853 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.745 -6.248 5.999 1.00 0.00 H new ATOM 192 N GLN A 13 -8.733 -7.206 6.720 1.00 0.00 N ATOM 193 CA GLN A 13 -9.563 -7.609 7.851 1.00 0.00 C ATOM 194 C GLN A 13 -8.908 -7.191 9.165 1.00 0.00 C ATOM 195 O GLN A 13 -9.576 -7.077 10.193 1.00 0.00 O ATOM 196 CB GLN A 13 -9.764 -9.130 7.835 1.00 0.00 C ATOM 197 CG GLN A 13 -10.788 -9.511 6.759 1.00 0.00 C ATOM 198 CD GLN A 13 -12.207 -9.273 7.271 1.00 0.00 C ATOM 199 OE1 GLN A 13 -13.171 -9.771 6.689 1.00 0.00 O ATOM 200 NE2 GLN A 13 -12.393 -8.538 8.333 1.00 0.00 N ATOM 0 H GLN A 13 -8.173 -7.957 6.316 1.00 0.00 H new ATOM 0 HA GLN A 13 -10.531 -7.116 7.767 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.815 -9.629 7.639 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -10.107 -9.470 8.812 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.615 -8.922 5.858 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.664 -10.558 6.484 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -11.594 -8.126 8.814 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -13.338 -8.376 8.682 1.00 0.00 H new ATOM 209 N ASP A 14 -7.598 -6.968 9.123 1.00 0.00 N ATOM 210 CA ASP A 14 -6.862 -6.567 10.318 1.00 0.00 C ATOM 211 C ASP A 14 -7.055 -5.080 10.596 1.00 0.00 C ATOM 212 O ASP A 14 -6.318 -4.486 11.383 1.00 0.00 O ATOM 213 CB ASP A 14 -5.371 -6.864 10.135 1.00 0.00 C ATOM 214 CG ASP A 14 -5.161 -8.358 9.913 1.00 0.00 C ATOM 215 OD1 ASP A 14 -5.720 -9.134 10.670 1.00 0.00 O ATOM 216 OD2 ASP A 14 -4.444 -8.703 8.986 1.00 0.00 O ATOM 0 H ASP A 14 -7.028 -7.057 8.282 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.246 -7.135 11.165 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.982 -6.303 9.285 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -4.816 -6.537 11.014 1.00 0.00 H new ATOM 221 N GLY A 15 -8.051 -4.486 9.947 1.00 0.00 N ATOM 222 CA GLY A 15 -8.330 -3.067 10.136 1.00 0.00 C ATOM 223 C GLY A 15 -7.356 -2.211 9.334 1.00 0.00 C ATOM 224 O GLY A 15 -7.589 -1.021 9.124 1.00 0.00 O ATOM 0 H GLY A 15 -8.673 -4.959 9.292 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.352 -2.849 9.827 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.256 -2.815 11.194 1.00 0.00 H new ATOM 228 N SER A 16 -6.267 -2.825 8.886 1.00 0.00 N ATOM 229 CA SER A 16 -5.265 -2.108 8.106 1.00 0.00 C ATOM 230 C SER A 16 -5.800 -1.796 6.712 1.00 0.00 C ATOM 231 O SER A 16 -6.919 -2.177 6.369 1.00 0.00 O ATOM 232 CB SER A 16 -3.992 -2.947 7.991 1.00 0.00 C ATOM 233 OG SER A 16 -4.318 -4.215 7.438 1.00 0.00 O ATOM 0 H SER A 16 -6.056 -3.810 9.048 1.00 0.00 H new ATOM 0 HA SER A 16 -5.035 -1.172 8.615 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.262 -2.438 7.361 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.534 -3.071 8.972 1.00 0.00 H new ATOM 0 HG SER A 16 -3.657 -4.878 7.728 1.00 0.00 H new ATOM 239 N LYS A 17 -4.995 -1.101 5.911 1.00 0.00 N ATOM 240 CA LYS A 17 -5.402 -0.742 4.553 1.00 0.00 C ATOM 241 C LYS A 17 -4.183 -0.609 3.648 1.00 0.00 C ATOM 242 O LYS A 17 -3.276 0.177 3.921 1.00 0.00 O ATOM 243 CB LYS A 17 -6.164 0.585 4.565 1.00 0.00 C ATOM 244 CG LYS A 17 -7.450 0.429 5.375 1.00 0.00 C ATOM 245 CD LYS A 17 -8.357 1.639 5.132 1.00 0.00 C ATOM 246 CE LYS A 17 -9.556 1.575 6.077 1.00 0.00 C ATOM 247 NZ LYS A 17 -10.408 2.783 5.883 1.00 0.00 N ATOM 0 H LYS A 17 -4.065 -0.777 6.175 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.049 -1.532 4.171 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.543 1.369 4.997 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.399 0.890 3.545 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -7.964 -0.488 5.088 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -7.216 0.344 6.436 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.801 2.562 5.295 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.697 1.650 4.096 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.137 0.673 5.884 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.215 1.520 7.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.224 2.739 6.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.851 3.637 6.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -10.744 2.816 4.899 1.00 0.00 H new ATOM 261 N VAL A 18 -4.172 -1.380 2.564 1.00 0.00 N ATOM 262 CA VAL A 18 -3.061 -1.341 1.614 1.00 0.00 C ATOM 263 C VAL A 18 -3.332 -0.301 0.520 1.00 0.00 C ATOM 264 O VAL A 18 -4.478 -0.081 0.131 1.00 0.00 O ATOM 265 CB VAL A 18 -2.859 -2.726 0.956 1.00 0.00 C ATOM 266 CG1 VAL A 18 -1.383 -2.947 0.616 1.00 0.00 C ATOM 267 CG2 VAL A 18 -3.325 -3.838 1.899 1.00 0.00 C ATOM 0 H VAL A 18 -4.914 -2.036 2.321 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.159 -1.068 2.162 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.450 -2.754 0.041 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.259 -3.926 0.154 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.049 -2.174 -0.076 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.788 -2.898 1.528 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.176 -4.806 1.421 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.748 -3.797 2.823 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.383 -3.704 2.125 1.00 0.00 H new ATOM 277 N HIS A 19 -2.264 0.306 0.006 1.00 0.00 N ATOM 278 CA HIS A 19 -2.380 1.293 -1.074 1.00 0.00 C ATOM 279 C HIS A 19 -1.204 1.121 -2.030 1.00 0.00 C ATOM 280 O HIS A 19 -0.048 1.285 -1.638 1.00 0.00 O ATOM 281 CB HIS A 19 -2.418 2.736 -0.511 1.00 0.00 C ATOM 282 CG HIS A 19 -1.885 2.771 0.898 1.00 0.00 C ATOM 283 ND1 HIS A 19 -2.700 3.076 1.976 1.00 0.00 N ATOM 284 CD2 HIS A 19 -0.630 2.564 1.423 1.00 0.00 C ATOM 285 CE1 HIS A 19 -1.940 3.048 3.082 1.00 0.00 C ATOM 286 NE2 HIS A 19 -0.671 2.740 2.804 1.00 0.00 N ATOM 0 H HIS A 19 -1.308 0.134 0.317 1.00 0.00 H new ATOM 0 HA HIS A 19 -3.315 1.128 -1.609 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -1.826 3.395 -1.146 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -3.441 3.112 -0.528 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -3.698 3.284 1.936 1.00 0.00 H new ATOM 0 HD2 HIS A 19 0.250 2.305 0.853 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -2.310 3.250 4.076 1.00 0.00 H new ATOM 295 N VAL A 20 -1.500 0.775 -3.282 1.00 0.00 N ATOM 296 CA VAL A 20 -0.444 0.566 -4.270 1.00 0.00 C ATOM 297 C VAL A 20 -0.012 1.898 -4.883 1.00 0.00 C ATOM 298 O VAL A 20 -0.769 2.868 -4.882 1.00 0.00 O ATOM 299 CB VAL A 20 -0.884 -0.423 -5.385 1.00 0.00 C ATOM 300 CG1 VAL A 20 -1.800 -1.526 -4.823 1.00 0.00 C ATOM 301 CG2 VAL A 20 -1.622 0.321 -6.508 1.00 0.00 C ATOM 0 H VAL A 20 -2.448 0.635 -3.632 1.00 0.00 H new ATOM 0 HA VAL A 20 0.405 0.122 -3.751 1.00 0.00 H new ATOM 0 HB VAL A 20 0.019 -0.884 -5.785 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.091 -2.202 -5.627 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.267 -2.085 -4.054 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.692 -1.073 -4.390 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.922 -0.389 -7.279 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.507 0.809 -6.100 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.961 1.071 -6.943 1.00 0.00 H new ATOM 311 N PHE A 21 1.211 1.928 -5.408 1.00 0.00 N ATOM 312 CA PHE A 21 1.754 3.136 -6.031 1.00 0.00 C ATOM 313 C PHE A 21 1.749 3.002 -7.549 1.00 0.00 C ATOM 314 O PHE A 21 1.170 2.064 -8.100 1.00 0.00 O ATOM 315 CB PHE A 21 3.181 3.363 -5.539 1.00 0.00 C ATOM 316 CG PHE A 21 3.177 3.444 -4.033 1.00 0.00 C ATOM 317 CD1 PHE A 21 3.302 2.277 -3.270 1.00 0.00 C ATOM 318 CD2 PHE A 21 3.042 4.685 -3.398 1.00 0.00 C ATOM 319 CE1 PHE A 21 3.294 2.351 -1.872 1.00 0.00 C ATOM 320 CE2 PHE A 21 3.034 4.757 -2.001 1.00 0.00 C ATOM 321 CZ PHE A 21 3.160 3.590 -1.238 1.00 0.00 C ATOM 0 H PHE A 21 1.846 1.130 -5.415 1.00 0.00 H new ATOM 0 HA PHE A 21 1.130 3.986 -5.755 1.00 0.00 H new ATOM 0 HB2 PHE A 21 3.827 2.550 -5.870 1.00 0.00 H new ATOM 0 HB3 PHE A 21 3.583 4.283 -5.964 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.405 1.320 -3.760 1.00 0.00 H new ATOM 0 HD2 PHE A 21 2.944 5.585 -3.986 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.391 1.451 -1.283 1.00 0.00 H new ATOM 0 HE2 PHE A 21 2.931 5.714 -1.511 1.00 0.00 H new ATOM 0 HZ PHE A 21 3.154 3.647 -0.160 1.00 0.00 H new ATOM 331 N LYS A 22 2.399 3.947 -8.224 1.00 0.00 N ATOM 332 CA LYS A 22 2.462 3.925 -9.681 1.00 0.00 C ATOM 333 C LYS A 22 3.246 2.710 -10.167 1.00 0.00 C ATOM 334 O LYS A 22 3.053 2.243 -11.288 1.00 0.00 O ATOM 335 CB LYS A 22 3.128 5.204 -10.193 1.00 0.00 C ATOM 336 CG LYS A 22 2.290 6.415 -9.774 1.00 0.00 C ATOM 337 CD LYS A 22 2.744 7.650 -10.559 1.00 0.00 C ATOM 338 CE LYS A 22 4.181 8.008 -10.172 1.00 0.00 C ATOM 339 NZ LYS A 22 4.479 9.401 -10.612 1.00 0.00 N ATOM 0 H LYS A 22 2.885 4.731 -7.789 1.00 0.00 H new ATOM 0 HA LYS A 22 1.445 3.864 -10.069 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.137 5.289 -9.789 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.221 5.170 -11.279 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.234 6.221 -9.960 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.398 6.592 -8.704 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.683 7.455 -11.630 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.081 8.490 -10.350 1.00 0.00 H new ATOM 0 HE2 LYS A 22 4.312 7.920 -9.093 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.879 7.311 -10.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.455 9.646 -10.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.370 9.470 -11.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.820 10.060 -10.149 1.00 0.00 H new ATOM 353 N ASP A 23 4.131 2.203 -9.314 1.00 0.00 N ATOM 354 CA ASP A 23 4.939 1.042 -9.668 1.00 0.00 C ATOM 355 C ASP A 23 4.129 -0.242 -9.519 1.00 0.00 C ATOM 356 O ASP A 23 4.684 -1.341 -9.507 1.00 0.00 O ATOM 357 CB ASP A 23 6.177 0.973 -8.771 1.00 0.00 C ATOM 358 CG ASP A 23 7.096 2.155 -9.059 1.00 0.00 C ATOM 359 OD1 ASP A 23 6.581 3.237 -9.286 1.00 0.00 O ATOM 360 OD2 ASP A 23 8.300 1.961 -9.049 1.00 0.00 O ATOM 0 H ASP A 23 4.306 2.575 -8.380 1.00 0.00 H new ATOM 0 HA ASP A 23 5.249 1.144 -10.708 1.00 0.00 H new ATOM 0 HB2 ASP A 23 5.878 0.981 -7.723 1.00 0.00 H new ATOM 0 HB3 ASP A 23 6.709 0.038 -8.943 1.00 0.00 H new ATOM 365 N GLY A 24 2.813 -0.094 -9.404 1.00 0.00 N ATOM 366 CA GLY A 24 1.935 -1.249 -9.256 1.00 0.00 C ATOM 367 C GLY A 24 2.290 -2.044 -8.004 1.00 0.00 C ATOM 368 O GLY A 24 1.698 -3.088 -7.730 1.00 0.00 O ATOM 0 H GLY A 24 2.334 0.807 -9.410 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.898 -0.918 -9.200 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.018 -1.889 -10.134 1.00 0.00 H new ATOM 372 N LYS A 25 3.258 -1.541 -7.245 1.00 0.00 N ATOM 373 CA LYS A 25 3.683 -2.210 -6.019 1.00 0.00 C ATOM 374 C LYS A 25 2.738 -1.847 -4.877 1.00 0.00 C ATOM 375 O LYS A 25 2.236 -0.728 -4.815 1.00 0.00 O ATOM 376 CB LYS A 25 5.111 -1.766 -5.681 1.00 0.00 C ATOM 377 CG LYS A 25 6.106 -2.497 -6.588 1.00 0.00 C ATOM 378 CD LYS A 25 7.534 -2.116 -6.189 1.00 0.00 C ATOM 379 CE LYS A 25 8.508 -2.582 -7.272 1.00 0.00 C ATOM 380 NZ LYS A 25 9.887 -2.134 -6.926 1.00 0.00 N ATOM 0 H LYS A 25 3.761 -0.678 -7.454 1.00 0.00 H new ATOM 0 HA LYS A 25 3.660 -3.291 -6.160 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.208 -0.688 -5.812 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.331 -1.981 -4.635 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.968 -3.575 -6.503 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.926 -2.234 -7.630 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.610 -1.037 -6.056 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.790 -2.573 -5.233 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.478 -3.668 -7.360 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.214 -2.176 -8.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.550 -2.451 -7.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.909 -1.096 -6.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.165 -2.542 -6.011 1.00 0.00 H new ATOM 394 N MET A 26 2.506 -2.799 -3.978 1.00 0.00 N ATOM 395 CA MET A 26 1.618 -2.585 -2.833 1.00 0.00 C ATOM 396 C MET A 26 2.325 -1.787 -1.737 1.00 0.00 C ATOM 397 O MET A 26 3.497 -1.434 -1.856 1.00 0.00 O ATOM 398 CB MET A 26 1.147 -3.943 -2.259 1.00 0.00 C ATOM 399 CG MET A 26 -0.196 -4.342 -2.877 1.00 0.00 C ATOM 400 SD MET A 26 -0.631 -6.018 -2.343 1.00 0.00 S ATOM 401 CE MET A 26 -1.241 -6.634 -3.933 1.00 0.00 C ATOM 0 H MET A 26 2.921 -3.730 -4.018 1.00 0.00 H new ATOM 0 HA MET A 26 0.754 -2.018 -3.179 1.00 0.00 H new ATOM 0 HB2 MET A 26 1.893 -4.711 -2.465 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.051 -3.874 -1.175 1.00 0.00 H new ATOM 0 HG2 MET A 26 -0.972 -3.639 -2.573 1.00 0.00 H new ATOM 0 HG3 MET A 26 -0.135 -4.299 -3.964 1.00 0.00 H new ATOM 0 HE1 MET A 26 -1.581 -7.663 -3.818 1.00 0.00 H new ATOM 0 HE2 MET A 26 -2.071 -6.013 -4.270 1.00 0.00 H new ATOM 0 HE3 MET A 26 -0.438 -6.597 -4.670 1.00 0.00 H new ATOM 411 N GLY A 27 1.584 -1.522 -0.665 1.00 0.00 N ATOM 412 CA GLY A 27 2.119 -0.780 0.476 1.00 0.00 C ATOM 413 C GLY A 27 1.392 -1.179 1.755 1.00 0.00 C ATOM 414 O GLY A 27 0.178 -1.019 1.863 1.00 0.00 O ATOM 0 H GLY A 27 0.611 -1.809 -0.561 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.186 -0.978 0.579 1.00 0.00 H new ATOM 0 HA3 GLY A 27 2.009 0.291 0.306 1.00 0.00 H new ATOM 418 N MET A 28 2.138 -1.714 2.721 1.00 0.00 N ATOM 419 CA MET A 28 1.547 -2.149 3.982 1.00 0.00 C ATOM 420 C MET A 28 1.490 -1.003 4.988 1.00 0.00 C ATOM 421 O MET A 28 2.515 -0.428 5.351 1.00 0.00 O ATOM 422 CB MET A 28 2.373 -3.299 4.560 1.00 0.00 C ATOM 423 CG MET A 28 1.624 -3.947 5.722 1.00 0.00 C ATOM 424 SD MET A 28 0.114 -4.774 5.135 1.00 0.00 S ATOM 425 CE MET A 28 -1.028 -4.138 6.386 1.00 0.00 C ATOM 0 H MET A 28 3.146 -1.855 2.654 1.00 0.00 H new ATOM 0 HA MET A 28 0.528 -2.483 3.788 1.00 0.00 H new ATOM 0 HB2 MET A 28 2.571 -4.040 3.786 1.00 0.00 H new ATOM 0 HB3 MET A 28 3.339 -2.928 4.901 1.00 0.00 H new ATOM 0 HG2 MET A 28 2.270 -4.670 6.219 1.00 0.00 H new ATOM 0 HG3 MET A 28 1.365 -3.189 6.462 1.00 0.00 H new ATOM 0 HE1 MET A 28 -1.819 -4.867 6.560 1.00 0.00 H new ATOM 0 HE2 MET A 28 -0.487 -3.960 7.316 1.00 0.00 H new ATOM 0 HE3 MET A 28 -1.466 -3.203 6.037 1.00 0.00 H new ATOM 435 N GLU A 29 0.278 -0.686 5.437 1.00 0.00 N ATOM 436 CA GLU A 29 0.070 0.387 6.409 1.00 0.00 C ATOM 437 C GLU A 29 -1.063 0.009 7.360 1.00 0.00 C ATOM 438 O GLU A 29 -2.141 -0.397 6.923 1.00 0.00 O ATOM 439 CB GLU A 29 -0.273 1.686 5.671 1.00 0.00 C ATOM 440 CG GLU A 29 -0.706 2.772 6.664 1.00 0.00 C ATOM 441 CD GLU A 29 0.319 2.904 7.785 1.00 0.00 C ATOM 442 OE1 GLU A 29 1.375 3.463 7.533 1.00 0.00 O ATOM 443 OE2 GLU A 29 0.035 2.445 8.879 1.00 0.00 O ATOM 0 H GLU A 29 -0.577 -1.157 5.143 1.00 0.00 H new ATOM 0 HA GLU A 29 0.982 0.535 6.988 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.593 2.028 5.104 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.072 1.503 4.953 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -0.814 3.725 6.147 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.682 2.524 7.082 1.00 0.00 H new ATOM 450 N ASN A 30 -0.815 0.136 8.660 1.00 0.00 N ATOM 451 CA ASN A 30 -1.825 -0.207 9.657 1.00 0.00 C ATOM 452 C ASN A 30 -2.855 0.911 9.800 1.00 0.00 C ATOM 453 O ASN A 30 -2.931 1.811 8.961 1.00 0.00 O ATOM 454 CB ASN A 30 -1.155 -0.486 11.005 1.00 0.00 C ATOM 455 CG ASN A 30 -0.680 0.813 11.649 1.00 0.00 C ATOM 456 OD1 ASN A 30 -0.753 1.876 11.035 1.00 0.00 O ATOM 457 ND2 ASN A 30 -0.193 0.787 12.858 1.00 0.00 N ATOM 0 H ASN A 30 0.068 0.471 9.046 1.00 0.00 H new ATOM 0 HA ASN A 30 -2.345 -1.105 9.324 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -1.857 -0.991 11.668 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -0.309 -1.159 10.864 1.00 0.00 H new ATOM 0 HD21 ASN A 30 0.129 1.650 13.297 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -0.134 -0.096 13.365 1.00 0.00 H new ATOM 464 N LYS A 31 -3.653 0.841 10.862 1.00 0.00 N ATOM 465 CA LYS A 31 -4.687 1.845 11.104 1.00 0.00 C ATOM 466 C LYS A 31 -4.097 3.098 11.743 1.00 0.00 C ATOM 467 O LYS A 31 -4.599 4.203 11.533 1.00 0.00 O ATOM 468 CB LYS A 31 -5.776 1.256 12.016 1.00 0.00 C ATOM 469 CG LYS A 31 -6.768 2.362 12.467 1.00 0.00 C ATOM 470 CD LYS A 31 -6.423 2.854 13.886 1.00 0.00 C ATOM 471 CE LYS A 31 -7.036 1.915 14.931 1.00 0.00 C ATOM 472 NZ LYS A 31 -8.517 1.874 14.756 1.00 0.00 N ATOM 0 H LYS A 31 -3.605 0.104 11.566 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.124 2.126 10.146 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.315 0.470 11.487 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.316 0.794 12.890 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.732 3.197 11.768 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.787 1.974 12.448 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.341 2.895 14.012 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.799 3.867 14.030 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.619 0.914 14.825 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.787 2.259 15.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.973 1.765 15.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.839 2.758 14.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.773 1.070 14.148 1.00 0.00 H new ATOM 486 N PHE A 32 -3.036 2.925 12.526 1.00 0.00 N ATOM 487 CA PHE A 32 -2.400 4.059 13.190 1.00 0.00 C ATOM 488 C PHE A 32 -1.482 4.801 12.224 1.00 0.00 C ATOM 489 O PHE A 32 -0.625 5.581 12.640 1.00 0.00 O ATOM 490 CB PHE A 32 -1.593 3.575 14.395 1.00 0.00 C ATOM 491 CG PHE A 32 -2.482 2.755 15.303 1.00 0.00 C ATOM 492 CD1 PHE A 32 -3.530 3.373 15.995 1.00 0.00 C ATOM 493 CD2 PHE A 32 -2.260 1.380 15.454 1.00 0.00 C ATOM 494 CE1 PHE A 32 -4.354 2.618 16.839 1.00 0.00 C ATOM 495 CE2 PHE A 32 -3.084 0.625 16.296 1.00 0.00 C ATOM 496 CZ PHE A 32 -4.131 1.245 16.989 1.00 0.00 C ATOM 0 H PHE A 32 -2.602 2.021 12.715 1.00 0.00 H new ATOM 0 HA PHE A 32 -3.180 4.741 13.527 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.745 2.976 14.061 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.187 4.427 14.940 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.703 4.433 15.878 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -1.452 0.902 14.920 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -5.161 3.096 17.374 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.913 -0.435 16.411 1.00 0.00 H new ATOM 0 HZ PHE A 32 -4.767 0.663 17.640 1.00 0.00 H new ATOM 506 N GLY A 33 -1.671 4.554 10.931 1.00 0.00 N ATOM 507 CA GLY A 33 -0.858 5.206 9.912 1.00 0.00 C ATOM 508 C GLY A 33 0.596 4.753 9.992 1.00 0.00 C ATOM 509 O GLY A 33 1.447 5.233 9.245 1.00 0.00 O ATOM 0 H GLY A 33 -2.375 3.912 10.567 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.258 4.979 8.924 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.912 6.287 10.037 1.00 0.00 H new ATOM 513 N LYS A 34 0.875 3.823 10.902 1.00 0.00 N ATOM 514 CA LYS A 34 2.233 3.311 11.067 1.00 0.00 C ATOM 515 C LYS A 34 2.511 2.204 10.055 1.00 0.00 C ATOM 516 O LYS A 34 1.758 1.236 9.957 1.00 0.00 O ATOM 517 CB LYS A 34 2.422 2.769 12.487 1.00 0.00 C ATOM 518 CG LYS A 34 3.916 2.660 12.807 1.00 0.00 C ATOM 519 CD LYS A 34 4.096 2.098 14.218 1.00 0.00 C ATOM 520 CE LYS A 34 5.582 1.850 14.482 1.00 0.00 C ATOM 521 NZ LYS A 34 6.308 3.152 14.503 1.00 0.00 N ATOM 0 H LYS A 34 0.186 3.412 11.531 1.00 0.00 H new ATOM 0 HA LYS A 34 2.933 4.129 10.898 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.934 3.428 13.205 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.949 1.791 12.579 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.408 2.013 12.081 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.387 3.640 12.732 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.697 2.797 14.953 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.537 1.169 14.325 1.00 0.00 H new ATOM 0 HE2 LYS A 34 5.712 1.334 15.433 1.00 0.00 H new ATOM 0 HE3 LYS A 34 5.996 1.203 13.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 7.255 3.015 14.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.398 3.515 13.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.778 3.836 15.080 1.00 0.00 H new ATOM 535 N SER A 35 3.592 2.357 9.303 1.00 0.00 N ATOM 536 CA SER A 35 3.960 1.367 8.299 1.00 0.00 C ATOM 537 C SER A 35 4.333 0.043 8.957 1.00 0.00 C ATOM 538 O SER A 35 5.216 -0.007 9.813 1.00 0.00 O ATOM 539 CB SER A 35 5.139 1.877 7.472 1.00 0.00 C ATOM 540 OG SER A 35 4.808 3.140 6.909 1.00 0.00 O ATOM 0 H SER A 35 4.227 3.153 9.368 1.00 0.00 H new ATOM 0 HA SER A 35 3.101 1.204 7.648 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.026 1.967 8.099 1.00 0.00 H new ATOM 0 HB3 SER A 35 5.378 1.165 6.682 1.00 0.00 H new ATOM 0 HG SER A 35 5.564 3.470 6.379 1.00 0.00 H new ATOM 546 N MET A 36 3.659 -1.031 8.547 1.00 0.00 N ATOM 547 CA MET A 36 3.929 -2.364 9.095 1.00 0.00 C ATOM 548 C MET A 36 4.718 -3.184 8.078 1.00 0.00 C ATOM 549 O MET A 36 4.208 -3.525 7.011 1.00 0.00 O ATOM 550 CB MET A 36 2.605 -3.073 9.435 1.00 0.00 C ATOM 551 CG MET A 36 2.112 -2.629 10.816 1.00 0.00 C ATOM 552 SD MET A 36 3.200 -3.307 12.094 1.00 0.00 S ATOM 553 CE MET A 36 2.353 -4.893 12.295 1.00 0.00 C ATOM 0 H MET A 36 2.924 -1.007 7.840 1.00 0.00 H new ATOM 0 HA MET A 36 4.516 -2.265 10.008 1.00 0.00 H new ATOM 0 HB2 MET A 36 1.854 -2.841 8.680 1.00 0.00 H new ATOM 0 HB3 MET A 36 2.748 -4.154 9.421 1.00 0.00 H new ATOM 0 HG2 MET A 36 2.098 -1.541 10.876 1.00 0.00 H new ATOM 0 HG3 MET A 36 1.089 -2.971 10.976 1.00 0.00 H new ATOM 0 HE1 MET A 36 2.866 -5.486 13.052 1.00 0.00 H new ATOM 0 HE2 MET A 36 1.323 -4.719 12.607 1.00 0.00 H new ATOM 0 HE3 MET A 36 2.359 -5.431 11.347 1.00 0.00 H new ATOM 563 N ASN A 37 5.966 -3.486 8.413 1.00 0.00 N ATOM 564 CA ASN A 37 6.822 -4.252 7.516 1.00 0.00 C ATOM 565 C ASN A 37 6.320 -5.683 7.359 1.00 0.00 C ATOM 566 O ASN A 37 6.753 -6.585 8.076 1.00 0.00 O ATOM 567 CB ASN A 37 8.255 -4.276 8.048 1.00 0.00 C ATOM 568 CG ASN A 37 9.161 -4.998 7.057 1.00 0.00 C ATOM 569 OD1 ASN A 37 10.141 -4.426 6.577 1.00 0.00 O ATOM 570 ND2 ASN A 37 8.889 -6.230 6.716 1.00 0.00 N ATOM 0 H ASN A 37 6.406 -3.215 9.293 1.00 0.00 H new ATOM 0 HA ASN A 37 6.798 -3.766 6.541 1.00 0.00 H new ATOM 0 HB2 ASN A 37 8.611 -3.258 8.206 1.00 0.00 H new ATOM 0 HB3 ASN A 37 8.285 -4.778 9.015 1.00 0.00 H new ATOM 0 HD21 ASN A 37 9.488 -6.719 6.052 1.00 0.00 H new ATOM 0 HD22 ASN A 37 8.077 -6.702 7.114 1.00 0.00 H new ATOM 577 N MET A 38 5.425 -5.889 6.395 1.00 0.00 N ATOM 578 CA MET A 38 4.894 -7.222 6.126 1.00 0.00 C ATOM 579 C MET A 38 5.766 -7.893 5.051 1.00 0.00 C ATOM 580 O MET A 38 5.965 -7.315 3.982 1.00 0.00 O ATOM 581 CB MET A 38 3.437 -7.114 5.645 1.00 0.00 C ATOM 582 CG MET A 38 2.949 -8.474 5.154 1.00 0.00 C ATOM 583 SD MET A 38 1.178 -8.425 4.752 1.00 0.00 S ATOM 584 CE MET A 38 0.516 -8.444 6.433 1.00 0.00 C ATOM 0 H MET A 38 5.055 -5.155 5.791 1.00 0.00 H new ATOM 0 HA MET A 38 4.912 -7.823 7.035 1.00 0.00 H new ATOM 0 HB2 MET A 38 2.802 -6.762 6.458 1.00 0.00 H new ATOM 0 HB3 MET A 38 3.363 -6.380 4.842 1.00 0.00 H new ATOM 0 HG2 MET A 38 3.517 -8.772 4.273 1.00 0.00 H new ATOM 0 HG3 MET A 38 3.131 -9.228 5.920 1.00 0.00 H new ATOM 0 HE1 MET A 38 -0.158 -9.293 6.549 1.00 0.00 H new ATOM 0 HE2 MET A 38 1.336 -8.531 7.146 1.00 0.00 H new ATOM 0 HE3 MET A 38 -0.030 -7.519 6.619 1.00 0.00 H new ATOM 594 N PRO A 39 6.305 -9.074 5.291 1.00 0.00 N ATOM 595 CA PRO A 39 7.174 -9.762 4.289 1.00 0.00 C ATOM 596 C PRO A 39 6.365 -10.351 3.137 1.00 0.00 C ATOM 597 O PRO A 39 5.324 -10.974 3.349 1.00 0.00 O ATOM 598 CB PRO A 39 7.868 -10.857 5.109 1.00 0.00 C ATOM 599 CG PRO A 39 6.897 -11.190 6.194 1.00 0.00 C ATOM 600 CD PRO A 39 6.153 -9.887 6.516 1.00 0.00 C ATOM 0 HA PRO A 39 7.877 -9.081 3.809 1.00 0.00 H new ATOM 0 HB2 PRO A 39 8.091 -11.730 4.496 1.00 0.00 H new ATOM 0 HB3 PRO A 39 8.815 -10.505 5.519 1.00 0.00 H new ATOM 0 HG2 PRO A 39 6.202 -11.965 5.871 1.00 0.00 H new ATOM 0 HG3 PRO A 39 7.413 -11.572 7.075 1.00 0.00 H new ATOM 0 HD2 PRO A 39 5.103 -10.073 6.744 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.583 -9.386 7.383 1.00 0.00 H new ATOM 608 N GLU A 40 6.851 -10.147 1.918 1.00 0.00 N ATOM 609 CA GLU A 40 6.167 -10.660 0.738 1.00 0.00 C ATOM 610 C GLU A 40 5.750 -12.112 0.942 1.00 0.00 C ATOM 611 O GLU A 40 6.578 -12.968 1.255 1.00 0.00 O ATOM 612 CB GLU A 40 7.078 -10.547 -0.488 1.00 0.00 C ATOM 613 CG GLU A 40 8.296 -11.464 -0.321 1.00 0.00 C ATOM 614 CD GLU A 40 9.405 -11.041 -1.279 1.00 0.00 C ATOM 615 OE1 GLU A 40 10.059 -10.050 -0.998 1.00 0.00 O ATOM 616 OE2 GLU A 40 9.585 -11.716 -2.280 1.00 0.00 O ATOM 0 H GLU A 40 7.710 -9.634 1.722 1.00 0.00 H new ATOM 0 HA GLU A 40 5.270 -10.062 0.576 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.527 -10.821 -1.388 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.404 -9.515 -0.615 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.656 -11.420 0.707 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.012 -12.498 -0.515 1.00 0.00 H new ATOM 623 N GLY A 41 4.457 -12.383 0.760 1.00 0.00 N ATOM 624 CA GLY A 41 3.925 -13.741 0.918 1.00 0.00 C ATOM 625 C GLY A 41 2.808 -13.782 1.956 1.00 0.00 C ATOM 626 O GLY A 41 2.001 -14.712 1.970 1.00 0.00 O ATOM 0 H GLY A 41 3.759 -11.684 0.504 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.548 -14.100 -0.040 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.727 -14.416 1.217 1.00 0.00 H new ATOM 630 N LYS A 42 2.760 -12.777 2.826 1.00 0.00 N ATOM 631 CA LYS A 42 1.727 -12.731 3.854 1.00 0.00 C ATOM 632 C LYS A 42 0.386 -12.381 3.221 1.00 0.00 C ATOM 633 O LYS A 42 -0.060 -11.233 3.252 1.00 0.00 O ATOM 634 CB LYS A 42 2.113 -11.704 4.939 1.00 0.00 C ATOM 635 CG LYS A 42 2.824 -12.401 6.120 1.00 0.00 C ATOM 636 CD LYS A 42 1.788 -12.907 7.131 1.00 0.00 C ATOM 637 CE LYS A 42 2.424 -13.965 8.038 1.00 0.00 C ATOM 638 NZ LYS A 42 3.529 -13.346 8.823 1.00 0.00 N ATOM 0 H LYS A 42 3.414 -11.995 2.840 1.00 0.00 H new ATOM 0 HA LYS A 42 1.638 -13.709 4.327 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.767 -10.944 4.511 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.220 -11.192 5.297 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.424 -13.234 5.754 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.508 -11.705 6.605 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.416 -12.077 7.731 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.931 -13.331 6.607 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.674 -14.381 8.711 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.807 -14.791 7.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.814 -13.990 9.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.342 -13.169 8.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.203 -12.446 9.231 1.00 0.00 H new ATOM 652 N VAL A 43 -0.240 -13.393 2.644 1.00 0.00 N ATOM 653 CA VAL A 43 -1.530 -13.233 1.985 1.00 0.00 C ATOM 654 C VAL A 43 -2.458 -12.328 2.790 1.00 0.00 C ATOM 655 O VAL A 43 -2.766 -12.608 3.949 1.00 0.00 O ATOM 656 CB VAL A 43 -2.192 -14.601 1.812 1.00 0.00 C ATOM 657 CG1 VAL A 43 -3.357 -14.488 0.824 1.00 0.00 C ATOM 658 CG2 VAL A 43 -1.165 -15.605 1.278 1.00 0.00 C ATOM 0 H VAL A 43 0.127 -14.344 2.618 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.355 -12.772 1.013 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.567 -14.944 2.776 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.827 -15.464 0.702 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.090 -13.777 1.206 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.984 -14.142 -0.140 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.638 -16.579 1.155 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.787 -15.261 0.315 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.338 -15.690 1.983 1.00 0.00 H new ATOM 668 N MET A 44 -2.923 -11.255 2.153 1.00 0.00 N ATOM 669 CA MET A 44 -3.843 -10.318 2.790 1.00 0.00 C ATOM 670 C MET A 44 -5.249 -10.570 2.245 1.00 0.00 C ATOM 671 O MET A 44 -5.403 -11.045 1.121 1.00 0.00 O ATOM 672 CB MET A 44 -3.408 -8.878 2.491 1.00 0.00 C ATOM 673 CG MET A 44 -1.980 -8.646 2.992 1.00 0.00 C ATOM 674 SD MET A 44 -1.430 -6.971 2.548 1.00 0.00 S ATOM 675 CE MET A 44 -1.472 -7.150 0.749 1.00 0.00 C ATOM 0 H MET A 44 -2.676 -11.013 1.193 1.00 0.00 H new ATOM 0 HA MET A 44 -3.837 -10.462 3.870 1.00 0.00 H new ATOM 0 HB2 MET A 44 -3.461 -8.689 1.419 1.00 0.00 H new ATOM 0 HB3 MET A 44 -4.089 -8.176 2.972 1.00 0.00 H new ATOM 0 HG2 MET A 44 -1.940 -8.776 4.073 1.00 0.00 H new ATOM 0 HG3 MET A 44 -1.308 -9.386 2.556 1.00 0.00 H new ATOM 0 HE1 MET A 44 -0.705 -6.517 0.302 1.00 0.00 H new ATOM 0 HE2 MET A 44 -1.285 -8.190 0.482 1.00 0.00 H new ATOM 0 HE3 MET A 44 -2.452 -6.851 0.376 1.00 0.00 H new ATOM 685 N GLU A 45 -6.274 -10.279 3.043 1.00 0.00 N ATOM 686 CA GLU A 45 -7.658 -10.507 2.609 1.00 0.00 C ATOM 687 C GLU A 45 -8.556 -9.337 2.992 1.00 0.00 C ATOM 688 O GLU A 45 -8.604 -8.936 4.155 1.00 0.00 O ATOM 689 CB GLU A 45 -8.197 -11.789 3.245 1.00 0.00 C ATOM 690 CG GLU A 45 -9.557 -12.131 2.635 1.00 0.00 C ATOM 691 CD GLU A 45 -10.085 -13.431 3.233 1.00 0.00 C ATOM 692 OE1 GLU A 45 -9.276 -14.222 3.688 1.00 0.00 O ATOM 693 OE2 GLU A 45 -11.290 -13.616 3.228 1.00 0.00 O ATOM 0 H GLU A 45 -6.180 -9.890 3.981 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.659 -10.603 1.523 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.498 -12.609 3.083 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.293 -11.660 4.323 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.263 -11.322 2.823 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.465 -12.230 1.553 1.00 0.00 H new ATOM 700 N THR A 46 -9.272 -8.797 2.009 1.00 0.00 N ATOM 701 CA THR A 46 -10.169 -7.678 2.268 1.00 0.00 C ATOM 702 C THR A 46 -11.428 -8.148 2.986 1.00 0.00 C ATOM 703 O THR A 46 -11.661 -9.348 3.132 1.00 0.00 O ATOM 704 CB THR A 46 -10.556 -6.984 0.954 1.00 0.00 C ATOM 705 OG1 THR A 46 -10.982 -7.969 0.024 1.00 0.00 O ATOM 706 CG2 THR A 46 -9.355 -6.215 0.358 1.00 0.00 C ATOM 0 H THR A 46 -9.249 -9.112 1.039 1.00 0.00 H new ATOM 0 HA THR A 46 -9.643 -6.969 2.907 1.00 0.00 H new ATOM 0 HB THR A 46 -11.356 -6.273 1.157 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.525 -7.547 -0.674 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.657 -5.733 -0.572 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.020 -5.458 1.067 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.540 -6.911 0.158 1.00 0.00 H new ATOM 714 N ARG A 47 -12.235 -7.192 3.437 1.00 0.00 N ATOM 715 CA ARG A 47 -13.470 -7.516 4.143 1.00 0.00 C ATOM 716 C ARG A 47 -14.442 -8.247 3.224 1.00 0.00 C ATOM 717 O ARG A 47 -15.234 -9.073 3.676 1.00 0.00 O ATOM 718 CB ARG A 47 -14.120 -6.239 4.673 1.00 0.00 C ATOM 719 CG ARG A 47 -14.292 -5.238 3.529 1.00 0.00 C ATOM 720 CD ARG A 47 -15.106 -4.039 4.017 1.00 0.00 C ATOM 721 NE ARG A 47 -14.281 -3.173 4.857 1.00 0.00 N ATOM 722 CZ ARG A 47 -14.195 -3.354 6.174 1.00 0.00 C ATOM 723 NH1 ARG A 47 -14.856 -4.324 6.749 1.00 0.00 N ATOM 724 NH2 ARG A 47 -13.450 -2.561 6.893 1.00 0.00 N ATOM 0 H ARG A 47 -12.058 -6.194 3.327 1.00 0.00 H new ATOM 0 HA ARG A 47 -13.225 -8.170 4.980 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -15.088 -6.469 5.117 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -13.504 -5.805 5.460 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -13.317 -4.907 3.171 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -14.795 -5.714 2.688 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -15.484 -3.476 3.164 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -15.973 -4.384 4.580 1.00 0.00 H new ATOM 0 HE ARG A 47 -13.758 -2.411 4.424 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -15.440 -4.945 6.189 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -14.788 -4.460 7.758 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -12.934 -1.803 6.447 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -13.384 -2.699 7.901 1.00 0.00 H new ATOM 738 N ASP A 48 -14.372 -7.943 1.933 1.00 0.00 N ATOM 739 CA ASP A 48 -15.251 -8.583 0.963 1.00 0.00 C ATOM 740 C ASP A 48 -14.820 -10.026 0.731 1.00 0.00 C ATOM 741 O ASP A 48 -15.649 -10.934 0.691 1.00 0.00 O ATOM 742 CB ASP A 48 -15.219 -7.816 -0.361 1.00 0.00 C ATOM 743 CG ASP A 48 -13.846 -7.953 -1.010 1.00 0.00 C ATOM 744 OD1 ASP A 48 -13.558 -9.023 -1.520 1.00 0.00 O ATOM 745 OD2 ASP A 48 -13.104 -6.986 -0.988 1.00 0.00 O ATOM 0 H ASP A 48 -13.722 -7.264 1.537 1.00 0.00 H new ATOM 0 HA ASP A 48 -16.267 -8.576 1.357 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -15.987 -8.200 -1.032 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -15.445 -6.764 -0.187 1.00 0.00 H new ATOM 750 N GLY A 49 -13.510 -10.230 0.584 1.00 0.00 N ATOM 751 CA GLY A 49 -12.960 -11.569 0.361 1.00 0.00 C ATOM 752 C GLY A 49 -12.035 -11.583 -0.852 1.00 0.00 C ATOM 753 O GLY A 49 -12.015 -12.549 -1.615 1.00 0.00 O ATOM 0 H GLY A 49 -12.811 -9.488 0.615 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.411 -11.893 1.245 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.773 -12.280 0.212 1.00 0.00 H new ATOM 757 N THR A 50 -11.262 -10.510 -1.024 1.00 0.00 N ATOM 758 CA THR A 50 -10.330 -10.417 -2.150 1.00 0.00 C ATOM 759 C THR A 50 -8.933 -10.846 -1.712 1.00 0.00 C ATOM 760 O THR A 50 -8.422 -10.377 -0.696 1.00 0.00 O ATOM 761 CB THR A 50 -10.288 -8.980 -2.678 1.00 0.00 C ATOM 762 OG1 THR A 50 -11.608 -8.459 -2.739 1.00 0.00 O ATOM 763 CG2 THR A 50 -9.667 -8.961 -4.076 1.00 0.00 C ATOM 0 H THR A 50 -11.262 -9.700 -0.405 1.00 0.00 H new ATOM 0 HA THR A 50 -10.673 -11.080 -2.944 1.00 0.00 H new ATOM 0 HB THR A 50 -9.685 -8.368 -2.008 1.00 0.00 H new ATOM 0 HG1 THR A 50 -12.248 -9.161 -2.499 1.00 0.00 H new ATOM 0 HG21 THR A 50 -9.639 -7.937 -4.448 1.00 0.00 H new ATOM 0 HG22 THR A 50 -8.653 -9.358 -4.029 1.00 0.00 H new ATOM 0 HG23 THR A 50 -10.266 -9.575 -4.749 1.00 0.00 H new ATOM 771 N LYS A 51 -8.326 -11.746 -2.480 1.00 0.00 N ATOM 772 CA LYS A 51 -6.991 -12.243 -2.156 1.00 0.00 C ATOM 773 C LYS A 51 -5.909 -11.342 -2.745 1.00 0.00 C ATOM 774 O LYS A 51 -5.689 -11.327 -3.956 1.00 0.00 O ATOM 775 CB LYS A 51 -6.821 -13.662 -2.699 1.00 0.00 C ATOM 776 CG LYS A 51 -5.424 -14.183 -2.350 1.00 0.00 C ATOM 777 CD LYS A 51 -5.382 -15.702 -2.531 1.00 0.00 C ATOM 778 CE LYS A 51 -5.596 -16.051 -4.005 1.00 0.00 C ATOM 779 NZ LYS A 51 -5.191 -17.465 -4.244 1.00 0.00 N ATOM 0 H LYS A 51 -8.733 -12.145 -3.326 1.00 0.00 H new ATOM 0 HA LYS A 51 -6.885 -12.246 -1.071 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.581 -14.318 -2.274 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.963 -13.668 -3.780 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.678 -13.710 -2.989 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.174 -13.922 -1.322 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.423 -16.092 -2.190 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.153 -16.172 -1.920 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.643 -15.911 -4.275 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -5.011 -15.382 -4.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.336 -17.703 -5.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.187 -17.584 -4.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.767 -18.096 -3.651 1.00 0.00 H new ATOM 793 N ILE A 52 -5.223 -10.603 -1.873 1.00 0.00 N ATOM 794 CA ILE A 52 -4.141 -9.707 -2.293 1.00 0.00 C ATOM 795 C ILE A 52 -2.853 -10.084 -1.568 1.00 0.00 C ATOM 796 O ILE A 52 -2.799 -10.093 -0.342 1.00 0.00 O ATOM 797 CB ILE A 52 -4.493 -8.237 -1.972 1.00 0.00 C ATOM 798 CG1 ILE A 52 -5.170 -8.136 -0.566 1.00 0.00 C ATOM 799 CG2 ILE A 52 -5.407 -7.681 -3.072 1.00 0.00 C ATOM 800 CD1 ILE A 52 -6.655 -7.792 -0.663 1.00 0.00 C ATOM 0 H ILE A 52 -5.397 -10.606 -0.868 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.006 -9.810 -3.370 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.581 -7.640 -1.943 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.052 -9.083 -0.039 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.661 -7.376 0.027 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.657 -6.644 -2.848 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.893 -7.731 -4.032 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.321 -8.272 -3.119 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.081 -7.733 0.339 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.774 -6.832 -1.165 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.171 -8.565 -1.232 1.00 0.00 H new ATOM 812 N ILE A 53 -1.817 -10.386 -2.337 1.00 0.00 N ATOM 813 CA ILE A 53 -0.525 -10.756 -1.758 1.00 0.00 C ATOM 814 C ILE A 53 0.312 -9.510 -1.510 1.00 0.00 C ATOM 815 O ILE A 53 0.269 -8.562 -2.291 1.00 0.00 O ATOM 816 CB ILE A 53 0.226 -11.692 -2.709 1.00 0.00 C ATOM 817 CG1 ILE A 53 -0.741 -12.745 -3.254 1.00 0.00 C ATOM 818 CG2 ILE A 53 1.372 -12.381 -1.962 1.00 0.00 C ATOM 819 CD1 ILE A 53 -1.482 -13.429 -2.101 1.00 0.00 C ATOM 0 H ILE A 53 -1.841 -10.384 -3.357 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.700 -11.267 -0.811 1.00 0.00 H new ATOM 0 HB ILE A 53 0.637 -11.113 -3.536 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.457 -12.277 -3.929 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.193 -13.487 -3.835 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.903 -13.046 -2.643 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.061 -11.628 -1.579 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.969 -12.960 -1.131 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.167 -14.176 -2.501 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.762 -13.913 -1.442 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.045 -12.685 -1.538 1.00 0.00 H new ATOM 831 N MET A 54 1.081 -9.517 -0.429 1.00 0.00 N ATOM 832 CA MET A 54 1.923 -8.366 -0.121 1.00 0.00 C ATOM 833 C MET A 54 3.036 -8.258 -1.157 1.00 0.00 C ATOM 834 O MET A 54 4.176 -8.643 -0.909 1.00 0.00 O ATOM 835 CB MET A 54 2.510 -8.485 1.290 1.00 0.00 C ATOM 836 CG MET A 54 3.225 -7.179 1.664 1.00 0.00 C ATOM 837 SD MET A 54 2.006 -5.874 1.992 1.00 0.00 S ATOM 838 CE MET A 54 2.880 -4.507 1.180 1.00 0.00 C ATOM 0 H MET A 54 1.141 -10.288 0.237 1.00 0.00 H new ATOM 0 HA MET A 54 1.314 -7.462 -0.155 1.00 0.00 H new ATOM 0 HB2 MET A 54 1.717 -8.695 2.008 1.00 0.00 H new ATOM 0 HB3 MET A 54 3.210 -9.320 1.334 1.00 0.00 H new ATOM 0 HG2 MET A 54 3.848 -7.335 2.545 1.00 0.00 H new ATOM 0 HG3 MET A 54 3.888 -6.873 0.855 1.00 0.00 H new ATOM 0 HE1 MET A 54 2.177 -3.701 0.967 1.00 0.00 H new ATOM 0 HE2 MET A 54 3.667 -4.137 1.837 1.00 0.00 H new ATOM 0 HE3 MET A 54 3.321 -4.860 0.248 1.00 0.00 H new ATOM 848 N LYS A 55 2.684 -7.730 -2.321 1.00 0.00 N ATOM 849 CA LYS A 55 3.643 -7.571 -3.407 1.00 0.00 C ATOM 850 C LYS A 55 4.687 -6.525 -3.033 1.00 0.00 C ATOM 851 O LYS A 55 5.839 -6.847 -2.742 1.00 0.00 O ATOM 852 CB LYS A 55 2.890 -7.143 -4.683 1.00 0.00 C ATOM 853 CG LYS A 55 3.848 -6.612 -5.767 1.00 0.00 C ATOM 854 CD LYS A 55 4.927 -7.649 -6.097 1.00 0.00 C ATOM 855 CE LYS A 55 4.280 -8.969 -6.535 1.00 0.00 C ATOM 856 NZ LYS A 55 3.072 -8.684 -7.362 1.00 0.00 N ATOM 0 H LYS A 55 1.742 -7.404 -2.538 1.00 0.00 H new ATOM 0 HA LYS A 55 4.154 -8.517 -3.587 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.332 -7.992 -5.077 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.162 -6.371 -4.433 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.285 -6.367 -6.668 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.317 -5.690 -5.424 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.573 -7.272 -6.890 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.558 -7.817 -5.225 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.993 -9.563 -7.107 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.004 -9.558 -5.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.873 -9.498 -7.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.257 -8.514 -6.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.242 -7.841 -7.946 1.00 0.00 H new ATOM 870 N GLY A 56 4.262 -5.273 -3.059 1.00 0.00 N ATOM 871 CA GLY A 56 5.136 -4.156 -2.740 1.00 0.00 C ATOM 872 C GLY A 56 5.608 -4.199 -1.291 1.00 0.00 C ATOM 873 O GLY A 56 5.012 -3.565 -0.421 1.00 0.00 O ATOM 0 H GLY A 56 3.308 -5.003 -3.300 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.000 -4.170 -3.404 1.00 0.00 H new ATOM 0 HA3 GLY A 56 4.609 -3.219 -2.923 1.00 0.00 H new ATOM 877 N ASN A 57 6.690 -4.926 -1.033 1.00 0.00 N ATOM 878 CA ASN A 57 7.219 -5.002 0.323 1.00 0.00 C ATOM 879 C ASN A 57 7.933 -3.699 0.669 1.00 0.00 C ATOM 880 O ASN A 57 8.389 -3.502 1.796 1.00 0.00 O ATOM 881 CB ASN A 57 8.191 -6.177 0.458 1.00 0.00 C ATOM 882 CG ASN A 57 8.818 -6.173 1.847 1.00 0.00 C ATOM 883 OD1 ASN A 57 9.940 -6.649 2.026 1.00 0.00 O ATOM 884 ND2 ASN A 57 8.156 -5.661 2.850 1.00 0.00 N ATOM 0 H ASN A 57 7.209 -5.461 -1.730 1.00 0.00 H new ATOM 0 HA ASN A 57 6.389 -5.158 1.013 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.665 -7.117 0.289 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.969 -6.106 -0.302 1.00 0.00 H new ATOM 0 HD21 ASN A 57 8.568 -5.655 3.783 1.00 0.00 H new ATOM 0 HD22 ASN A 57 7.227 -5.267 2.700 1.00 0.00 H new ATOM 891 N GLU A 58 8.014 -2.807 -0.316 1.00 0.00 N ATOM 892 CA GLU A 58 8.662 -1.513 -0.119 1.00 0.00 C ATOM 893 C GLU A 58 7.683 -0.529 0.509 1.00 0.00 C ATOM 894 O GLU A 58 7.111 0.320 -0.174 1.00 0.00 O ATOM 895 CB GLU A 58 9.151 -0.964 -1.462 1.00 0.00 C ATOM 896 CG GLU A 58 10.170 -1.931 -2.069 1.00 0.00 C ATOM 897 CD GLU A 58 9.468 -3.203 -2.533 1.00 0.00 C ATOM 898 OE1 GLU A 58 8.355 -3.097 -3.020 1.00 0.00 O ATOM 899 OE2 GLU A 58 10.055 -4.264 -2.395 1.00 0.00 O ATOM 0 H GLU A 58 7.641 -2.956 -1.254 1.00 0.00 H new ATOM 0 HA GLU A 58 9.514 -1.645 0.548 1.00 0.00 H new ATOM 0 HB2 GLU A 58 8.309 -0.833 -2.142 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.604 0.018 -1.322 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.677 -1.458 -2.910 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.935 -2.176 -1.332 1.00 0.00 H new ATOM 906 N ILE A 59 7.489 -0.661 1.815 1.00 0.00 N ATOM 907 CA ILE A 59 6.566 0.205 2.537 1.00 0.00 C ATOM 908 C ILE A 59 7.116 1.622 2.655 1.00 0.00 C ATOM 909 O ILE A 59 6.358 2.580 2.808 1.00 0.00 O ATOM 910 CB ILE A 59 6.314 -0.369 3.930 1.00 0.00 C ATOM 911 CG1 ILE A 59 7.653 -0.705 4.597 1.00 0.00 C ATOM 912 CG2 ILE A 59 5.476 -1.643 3.806 1.00 0.00 C ATOM 913 CD1 ILE A 59 7.432 -1.053 6.075 1.00 0.00 C ATOM 0 H ILE A 59 7.957 -1.358 2.395 1.00 0.00 H new ATOM 0 HA ILE A 59 5.630 0.251 1.980 1.00 0.00 H new ATOM 0 HB ILE A 59 5.782 0.365 4.535 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.123 -1.544 4.084 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.333 0.142 4.512 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.294 -2.056 4.798 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.524 -1.407 3.330 1.00 0.00 H new ATOM 0 HG23 ILE A 59 6.013 -2.374 3.201 1.00 0.00 H new ATOM 0 HD11 ILE A 59 8.389 -1.290 6.540 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.981 -0.202 6.586 1.00 0.00 H new ATOM 0 HD13 ILE A 59 6.768 -1.914 6.151 1.00 0.00 H new ATOM 925 N PHE A 60 8.432 1.755 2.582 1.00 0.00 N ATOM 926 CA PHE A 60 9.059 3.067 2.680 1.00 0.00 C ATOM 927 C PHE A 60 8.374 4.055 1.740 1.00 0.00 C ATOM 928 O PHE A 60 8.355 5.259 1.996 1.00 0.00 O ATOM 929 CB PHE A 60 10.543 2.966 2.327 1.00 0.00 C ATOM 930 CG PHE A 60 11.219 4.286 2.606 1.00 0.00 C ATOM 931 CD1 PHE A 60 11.736 4.553 3.880 1.00 0.00 C ATOM 932 CD2 PHE A 60 11.329 5.245 1.592 1.00 0.00 C ATOM 933 CE1 PHE A 60 12.361 5.778 4.140 1.00 0.00 C ATOM 934 CE2 PHE A 60 11.954 6.470 1.852 1.00 0.00 C ATOM 935 CZ PHE A 60 12.470 6.737 3.126 1.00 0.00 C ATOM 0 H PHE A 60 9.082 0.979 2.456 1.00 0.00 H new ATOM 0 HA PHE A 60 8.956 3.424 3.705 1.00 0.00 H new ATOM 0 HB2 PHE A 60 11.013 2.174 2.910 1.00 0.00 H new ATOM 0 HB3 PHE A 60 10.660 2.700 1.276 1.00 0.00 H new ATOM 0 HD1 PHE A 60 11.652 3.813 4.662 1.00 0.00 H new ATOM 0 HD2 PHE A 60 10.932 5.040 0.609 1.00 0.00 H new ATOM 0 HE1 PHE A 60 12.759 5.983 5.123 1.00 0.00 H new ATOM 0 HE2 PHE A 60 12.038 7.210 1.070 1.00 0.00 H new ATOM 0 HZ PHE A 60 12.952 7.683 3.326 1.00 0.00 H new ATOM 945 N ARG A 61 7.826 3.538 0.645 1.00 0.00 N ATOM 946 CA ARG A 61 7.154 4.378 -0.342 1.00 0.00 C ATOM 947 C ARG A 61 6.031 5.201 0.292 1.00 0.00 C ATOM 948 O ARG A 61 5.714 6.292 -0.182 1.00 0.00 O ATOM 949 CB ARG A 61 6.585 3.506 -1.463 1.00 0.00 C ATOM 950 CG ARG A 61 6.217 4.381 -2.673 1.00 0.00 C ATOM 951 CD ARG A 61 7.480 4.957 -3.342 1.00 0.00 C ATOM 952 NE ARG A 61 7.248 5.134 -4.771 1.00 0.00 N ATOM 953 CZ ARG A 61 7.153 4.087 -5.586 1.00 0.00 C ATOM 954 NH1 ARG A 61 7.269 2.878 -5.111 1.00 0.00 N ATOM 955 NH2 ARG A 61 6.946 4.271 -6.862 1.00 0.00 N ATOM 0 H ARG A 61 7.834 2.544 0.418 1.00 0.00 H new ATOM 0 HA ARG A 61 7.890 5.071 -0.750 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.317 2.753 -1.757 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.704 2.972 -1.108 1.00 0.00 H new ATOM 0 HG2 ARG A 61 5.655 3.790 -3.396 1.00 0.00 H new ATOM 0 HG3 ARG A 61 5.567 5.195 -2.353 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.740 5.912 -2.886 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.325 4.287 -3.182 1.00 0.00 H new ATOM 0 HE ARG A 61 7.157 6.076 -5.152 1.00 0.00 H new ATOM 0 HH11 ARG A 61 7.433 2.735 -4.114 1.00 0.00 H new ATOM 0 HH12 ARG A 61 7.196 2.075 -5.736 1.00 0.00 H new ATOM 0 HH21 ARG A 61 6.857 5.217 -7.233 1.00 0.00 H new ATOM 0 HH22 ARG A 61 6.873 3.469 -7.488 1.00 0.00 H new ATOM 969 N LEU A 62 5.426 4.680 1.358 1.00 0.00 N ATOM 970 CA LEU A 62 4.340 5.391 2.026 1.00 0.00 C ATOM 971 C LEU A 62 4.738 6.838 2.309 1.00 0.00 C ATOM 972 O LEU A 62 3.883 7.720 2.383 1.00 0.00 O ATOM 973 CB LEU A 62 4.001 4.702 3.353 1.00 0.00 C ATOM 974 CG LEU A 62 3.521 3.258 3.101 1.00 0.00 C ATOM 975 CD1 LEU A 62 3.738 2.413 4.361 1.00 0.00 C ATOM 976 CD2 LEU A 62 2.028 3.251 2.753 1.00 0.00 C ATOM 0 H LEU A 62 5.666 3.780 1.773 1.00 0.00 H new ATOM 0 HA LEU A 62 3.471 5.379 1.368 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.878 4.693 4.000 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.226 5.264 3.874 1.00 0.00 H new ATOM 0 HG LEU A 62 4.091 2.842 2.271 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.398 1.394 4.179 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.798 2.402 4.613 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.173 2.842 5.188 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.700 2.226 2.577 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.460 3.677 3.580 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.861 3.845 1.854 1.00 0.00 H new