USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=15 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= 0.495 USER MOD Set 1.2: A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.394 USER MOD Single : A 10 TYR OH : rot -15:sc= -1.83 USER MOD Single : A 13 GLN : amide:sc= -1.81 K(o=-1.8,f=-0.24) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HD1:sc= -0.526 K(o=-0.53,f=-1.9!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -164:sc= -0.0301 (180deg=-0.379) USER MOD Single : A 26 MET CE :methyl -176:sc= -0.0246 (180deg=-0.0388) USER MOD Single : A 28 MET CE :methyl -128:sc= -0.123 (180deg=-3.81!) USER MOD Single : A 30 ASN : amide:sc= -22.4! C(o=-22!,f=-16!) USER MOD Single : A 31 LYS NZ :NH3+ -117:sc= -0.659 (180deg=-2.08) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 170:sc= -1.11 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -2.69! C(o=-2.7!,f=-1.6!) USER MOD Single : A 38 MET CE :methyl -115:sc= -0.442 (180deg=-4.76!) USER MOD Single : A 42 LYS NZ :NH3+ 155:sc= -0.0437 (180deg=-0.411) USER MOD Single : A 44 MET CE :methyl -155:sc= -2.2 (180deg=-4.03) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 158:sc= -1.62 (180deg=-2.56!) USER MOD Single : A 55 LYS NZ :NH3+ 162:sc= -2.68! (180deg=-3.12) USER MOD Single : A 57 ASN : amide:sc= -5.77! K(o=-5.8!,f=-2.5) USER MOD ----------------------------------------------------------------- ATOM 104 N LYS A 8 -5.595 3.706 -4.300 1.00 0.00 N ATOM 105 CA LYS A 8 -5.874 2.294 -4.066 1.00 0.00 C ATOM 106 C LYS A 8 -5.933 2.006 -2.570 1.00 0.00 C ATOM 107 O LYS A 8 -5.049 2.413 -1.817 1.00 0.00 O ATOM 108 CB LYS A 8 -4.781 1.432 -4.716 1.00 0.00 C ATOM 109 CG LYS A 8 -5.292 -0.008 -4.928 1.00 0.00 C ATOM 110 CD LYS A 8 -6.043 -0.119 -6.272 1.00 0.00 C ATOM 111 CE LYS A 8 -5.050 -0.373 -7.414 1.00 0.00 C ATOM 112 NZ LYS A 8 -5.801 -0.616 -8.678 1.00 0.00 N ATOM 0 HA LYS A 8 -6.839 2.050 -4.510 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.487 1.865 -5.672 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.893 1.421 -4.084 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -4.453 -0.704 -4.914 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.954 -0.290 -4.109 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -6.770 -0.930 -6.225 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.601 0.798 -6.462 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -4.387 0.484 -7.531 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -4.422 -1.233 -7.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -5.129 -0.788 -9.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -6.416 -1.446 -8.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -6.382 0.217 -8.902 1.00 0.00 H new ATOM 126 N THR A 9 -6.980 1.305 -2.144 1.00 0.00 N ATOM 127 CA THR A 9 -7.138 0.973 -0.730 1.00 0.00 C ATOM 128 C THR A 9 -7.976 -0.291 -0.557 1.00 0.00 C ATOM 129 O THR A 9 -9.180 -0.289 -0.810 1.00 0.00 O ATOM 130 CB THR A 9 -7.813 2.136 -0.001 1.00 0.00 C ATOM 131 OG1 THR A 9 -7.127 3.343 -0.304 1.00 0.00 O ATOM 132 CG2 THR A 9 -7.774 1.891 1.508 1.00 0.00 C ATOM 0 H THR A 9 -7.724 0.959 -2.749 1.00 0.00 H new ATOM 0 HA THR A 9 -6.150 0.794 -0.307 1.00 0.00 H new ATOM 0 HB THR A 9 -8.851 2.214 -0.325 1.00 0.00 H new ATOM 0 HG1 THR A 9 -7.559 4.090 0.161 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.256 2.722 2.024 1.00 0.00 H new ATOM 0 HG22 THR A 9 -8.300 0.965 1.740 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.738 1.811 1.837 1.00 0.00 H new ATOM 140 N TYR A 10 -7.330 -1.367 -0.107 1.00 0.00 N ATOM 141 CA TYR A 10 -8.021 -2.637 0.121 1.00 0.00 C ATOM 142 C TYR A 10 -8.265 -2.836 1.614 1.00 0.00 C ATOM 143 O TYR A 10 -7.327 -3.059 2.379 1.00 0.00 O ATOM 144 CB TYR A 10 -7.184 -3.804 -0.406 1.00 0.00 C ATOM 145 CG TYR A 10 -6.711 -3.523 -1.812 1.00 0.00 C ATOM 146 CD1 TYR A 10 -7.621 -3.578 -2.873 1.00 0.00 C ATOM 147 CD2 TYR A 10 -5.362 -3.228 -2.062 1.00 0.00 C ATOM 148 CE1 TYR A 10 -7.190 -3.337 -4.180 1.00 0.00 C ATOM 149 CE2 TYR A 10 -4.932 -2.988 -3.371 1.00 0.00 C ATOM 150 CZ TYR A 10 -5.844 -3.042 -4.430 1.00 0.00 C ATOM 151 OH TYR A 10 -5.418 -2.809 -5.721 1.00 0.00 O ATOM 0 H TYR A 10 -6.333 -1.385 0.106 1.00 0.00 H new ATOM 0 HA TYR A 10 -8.973 -2.609 -0.409 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -6.326 -3.968 0.247 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -7.776 -4.719 -0.391 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -8.659 -3.807 -2.681 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.657 -3.186 -1.245 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.895 -3.378 -4.997 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -3.894 -2.761 -3.564 1.00 0.00 H new ATOM 0 HH TYR A 10 -6.102 -3.118 -6.352 1.00 0.00 H new ATOM 161 N ASP A 11 -9.525 -2.746 2.025 1.00 0.00 N ATOM 162 CA ASP A 11 -9.872 -2.911 3.432 1.00 0.00 C ATOM 163 C ASP A 11 -9.489 -4.300 3.932 1.00 0.00 C ATOM 164 O ASP A 11 -10.236 -5.262 3.757 1.00 0.00 O ATOM 165 CB ASP A 11 -11.371 -2.696 3.624 1.00 0.00 C ATOM 166 CG ASP A 11 -11.718 -1.226 3.412 1.00 0.00 C ATOM 167 OD1 ASP A 11 -11.543 -0.456 4.340 1.00 0.00 O ATOM 168 OD2 ASP A 11 -12.154 -0.893 2.321 1.00 0.00 O ATOM 0 H ASP A 11 -10.317 -2.561 1.410 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.316 -2.171 4.008 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.929 -3.315 2.921 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.666 -3.007 4.626 1.00 0.00 H new ATOM 173 N LEU A 12 -8.324 -4.392 4.567 1.00 0.00 N ATOM 174 CA LEU A 12 -7.844 -5.664 5.106 1.00 0.00 C ATOM 175 C LEU A 12 -8.702 -6.081 6.301 1.00 0.00 C ATOM 176 O LEU A 12 -9.376 -5.254 6.915 1.00 0.00 O ATOM 177 CB LEU A 12 -6.357 -5.518 5.526 1.00 0.00 C ATOM 178 CG LEU A 12 -5.415 -6.305 4.589 1.00 0.00 C ATOM 179 CD1 LEU A 12 -5.532 -5.785 3.151 1.00 0.00 C ATOM 180 CD2 LEU A 12 -3.968 -6.121 5.067 1.00 0.00 C ATOM 0 H LEU A 12 -7.695 -3.604 4.722 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.921 -6.437 4.341 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.079 -4.464 5.518 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.232 -5.873 6.549 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.694 -7.359 4.610 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.862 -6.351 2.504 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.558 -5.904 2.803 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.260 -4.730 3.122 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.295 -6.673 4.411 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.709 -5.062 5.044 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.871 -6.496 6.086 1.00 0.00 H new ATOM 192 N GLN A 13 -8.665 -7.369 6.623 1.00 0.00 N ATOM 193 CA GLN A 13 -9.437 -7.889 7.745 1.00 0.00 C ATOM 194 C GLN A 13 -8.763 -7.532 9.066 1.00 0.00 C ATOM 195 O GLN A 13 -9.388 -7.575 10.125 1.00 0.00 O ATOM 196 CB GLN A 13 -9.567 -9.410 7.631 1.00 0.00 C ATOM 197 CG GLN A 13 -8.173 -10.043 7.611 1.00 0.00 C ATOM 198 CD GLN A 13 -8.287 -11.548 7.403 1.00 0.00 C ATOM 199 OE1 GLN A 13 -7.490 -12.313 7.946 1.00 0.00 O ATOM 200 NE2 GLN A 13 -9.236 -12.022 6.643 1.00 0.00 N ATOM 0 H GLN A 13 -8.113 -8.068 6.127 1.00 0.00 H new ATOM 0 HA GLN A 13 -10.429 -7.438 7.720 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -10.143 -9.800 8.470 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -10.110 -9.672 6.723 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -7.576 -9.602 6.813 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.657 -9.835 8.548 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -9.895 -11.386 6.194 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -9.318 -13.028 6.498 1.00 0.00 H new ATOM 209 N ASP A 14 -7.482 -7.178 8.994 1.00 0.00 N ATOM 210 CA ASP A 14 -6.729 -6.814 10.189 1.00 0.00 C ATOM 211 C ASP A 14 -6.988 -5.359 10.563 1.00 0.00 C ATOM 212 O ASP A 14 -6.254 -4.772 11.357 1.00 0.00 O ATOM 213 CB ASP A 14 -5.233 -7.022 9.946 1.00 0.00 C ATOM 214 CG ASP A 14 -4.959 -8.486 9.617 1.00 0.00 C ATOM 215 OD1 ASP A 14 -5.500 -9.338 10.302 1.00 0.00 O ATOM 216 OD2 ASP A 14 -4.212 -8.735 8.684 1.00 0.00 O ATOM 0 H ASP A 14 -6.948 -7.136 8.126 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.056 -7.452 11.010 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.897 -6.387 9.126 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -4.668 -6.727 10.830 1.00 0.00 H new ATOM 221 N GLY A 15 -8.037 -4.784 9.985 1.00 0.00 N ATOM 222 CA GLY A 15 -8.385 -3.395 10.261 1.00 0.00 C ATOM 223 C GLY A 15 -7.525 -2.449 9.434 1.00 0.00 C ATOM 224 O GLY A 15 -7.895 -1.297 9.204 1.00 0.00 O ATOM 0 H GLY A 15 -8.658 -5.255 9.326 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.438 -3.227 10.036 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.248 -3.185 11.322 1.00 0.00 H new ATOM 228 N SER A 16 -6.377 -2.945 8.984 1.00 0.00 N ATOM 229 CA SER A 16 -5.470 -2.139 8.177 1.00 0.00 C ATOM 230 C SER A 16 -5.951 -2.080 6.732 1.00 0.00 C ATOM 231 O SER A 16 -7.047 -2.540 6.412 1.00 0.00 O ATOM 232 CB SER A 16 -4.061 -2.733 8.224 1.00 0.00 C ATOM 233 OG SER A 16 -3.580 -2.692 9.561 1.00 0.00 O ATOM 0 H SER A 16 -6.055 -3.896 9.163 1.00 0.00 H new ATOM 0 HA SER A 16 -5.451 -1.128 8.584 1.00 0.00 H new ATOM 0 HB2 SER A 16 -4.075 -3.761 7.861 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.395 -2.172 7.568 1.00 0.00 H new ATOM 0 HG SER A 16 -2.678 -3.073 9.596 1.00 0.00 H new ATOM 239 N LYS A 17 -5.126 -1.507 5.863 1.00 0.00 N ATOM 240 CA LYS A 17 -5.478 -1.391 4.453 1.00 0.00 C ATOM 241 C LYS A 17 -4.238 -1.098 3.615 1.00 0.00 C ATOM 242 O LYS A 17 -3.532 -0.121 3.861 1.00 0.00 O ATOM 243 CB LYS A 17 -6.508 -0.273 4.265 1.00 0.00 C ATOM 244 CG LYS A 17 -5.939 1.051 4.790 1.00 0.00 C ATOM 245 CD LYS A 17 -7.081 2.042 5.035 1.00 0.00 C ATOM 246 CE LYS A 17 -6.510 3.450 5.209 1.00 0.00 C ATOM 247 NZ LYS A 17 -7.628 4.427 5.342 1.00 0.00 N ATOM 0 H LYS A 17 -4.215 -1.118 6.108 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.907 -2.337 4.122 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -6.765 -0.176 3.210 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.428 -0.520 4.796 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.388 0.880 5.715 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.233 1.465 4.070 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.779 2.023 4.198 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.642 1.754 5.924 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.872 3.489 6.092 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.886 3.709 4.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -7.240 5.385 5.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -8.219 4.396 4.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.206 4.183 6.172 1.00 0.00 H new ATOM 261 N VAL A 18 -3.977 -1.946 2.626 1.00 0.00 N ATOM 262 CA VAL A 18 -2.811 -1.748 1.765 1.00 0.00 C ATOM 263 C VAL A 18 -3.069 -0.579 0.810 1.00 0.00 C ATOM 264 O VAL A 18 -4.216 -0.245 0.513 1.00 0.00 O ATOM 265 CB VAL A 18 -2.475 -3.041 0.952 1.00 0.00 C ATOM 266 CG1 VAL A 18 -0.990 -3.400 1.097 1.00 0.00 C ATOM 267 CG2 VAL A 18 -3.313 -4.221 1.453 1.00 0.00 C ATOM 0 H VAL A 18 -4.544 -2.764 2.401 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.954 -1.521 2.399 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.704 -2.843 -0.095 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.776 -4.302 0.524 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.379 -2.579 0.722 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.759 -3.574 2.148 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.067 -5.113 0.877 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.098 -4.399 2.507 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.372 -3.992 1.333 1.00 0.00 H new ATOM 277 N HIS A 19 -1.989 0.027 0.333 1.00 0.00 N ATOM 278 CA HIS A 19 -2.071 1.153 -0.594 1.00 0.00 C ATOM 279 C HIS A 19 -0.959 1.003 -1.632 1.00 0.00 C ATOM 280 O HIS A 19 0.222 1.000 -1.285 1.00 0.00 O ATOM 281 CB HIS A 19 -1.944 2.477 0.206 1.00 0.00 C ATOM 282 CG HIS A 19 -1.098 3.492 -0.525 1.00 0.00 C ATOM 283 ND1 HIS A 19 -1.645 4.444 -1.370 1.00 0.00 N ATOM 284 CD2 HIS A 19 0.257 3.708 -0.539 1.00 0.00 C ATOM 285 CE1 HIS A 19 -0.632 5.184 -1.855 1.00 0.00 C ATOM 286 NE2 HIS A 19 0.550 4.778 -1.380 1.00 0.00 N ATOM 0 H HIS A 19 -1.036 -0.245 0.575 1.00 0.00 H new ATOM 0 HA HIS A 19 -3.028 1.171 -1.115 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -2.936 2.891 0.384 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -1.504 2.272 1.182 1.00 0.00 H new ATOM 0 HD2 HIS A 19 0.985 3.136 0.017 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -0.758 6.006 -2.544 1.00 0.00 H new ATOM 0 HE2 HIS A 19 1.469 5.168 -1.589 1.00 0.00 H new ATOM 295 N VAL A 20 -1.338 0.845 -2.902 1.00 0.00 N ATOM 296 CA VAL A 20 -0.347 0.659 -3.961 1.00 0.00 C ATOM 297 C VAL A 20 0.109 1.999 -4.538 1.00 0.00 C ATOM 298 O VAL A 20 -0.602 3.000 -4.462 1.00 0.00 O ATOM 299 CB VAL A 20 -0.886 -0.262 -5.092 1.00 0.00 C ATOM 300 CG1 VAL A 20 -1.822 -1.349 -4.528 1.00 0.00 C ATOM 301 CG2 VAL A 20 -1.642 0.560 -6.146 1.00 0.00 C ATOM 0 H VAL A 20 -2.308 0.842 -3.218 1.00 0.00 H new ATOM 0 HA VAL A 20 0.516 0.170 -3.509 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.026 -0.744 -5.557 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.183 -1.977 -5.343 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.277 -1.963 -3.811 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.670 -0.877 -4.031 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.011 -0.103 -6.929 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.483 1.069 -5.676 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.969 1.298 -6.583 1.00 0.00 H new ATOM 311 N PHE A 21 1.307 1.995 -5.122 1.00 0.00 N ATOM 312 CA PHE A 21 1.880 3.194 -5.728 1.00 0.00 C ATOM 313 C PHE A 21 1.690 3.160 -7.243 1.00 0.00 C ATOM 314 O PHE A 21 0.870 2.399 -7.756 1.00 0.00 O ATOM 315 CB PHE A 21 3.372 3.275 -5.394 1.00 0.00 C ATOM 316 CG PHE A 21 3.542 3.531 -3.916 1.00 0.00 C ATOM 317 CD1 PHE A 21 3.602 2.454 -3.022 1.00 0.00 C ATOM 318 CD2 PHE A 21 3.640 4.842 -3.439 1.00 0.00 C ATOM 319 CE1 PHE A 21 3.759 2.690 -1.651 1.00 0.00 C ATOM 320 CE2 PHE A 21 3.798 5.078 -2.068 1.00 0.00 C ATOM 321 CZ PHE A 21 3.857 4.002 -1.175 1.00 0.00 C ATOM 0 H PHE A 21 1.902 1.169 -5.188 1.00 0.00 H new ATOM 0 HA PHE A 21 1.372 4.072 -5.329 1.00 0.00 H new ATOM 0 HB2 PHE A 21 3.869 2.346 -5.673 1.00 0.00 H new ATOM 0 HB3 PHE A 21 3.842 4.073 -5.969 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.527 1.442 -3.391 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.594 5.672 -4.128 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.804 1.860 -0.961 1.00 0.00 H new ATOM 0 HE2 PHE A 21 3.874 6.090 -1.700 1.00 0.00 H new ATOM 0 HZ PHE A 21 3.978 4.185 -0.117 1.00 0.00 H new ATOM 331 N LYS A 22 2.449 3.987 -7.956 1.00 0.00 N ATOM 332 CA LYS A 22 2.349 4.038 -9.410 1.00 0.00 C ATOM 333 C LYS A 22 2.980 2.799 -10.038 1.00 0.00 C ATOM 334 O LYS A 22 2.562 2.354 -11.107 1.00 0.00 O ATOM 335 CB LYS A 22 3.048 5.305 -9.931 1.00 0.00 C ATOM 336 CG LYS A 22 2.804 5.487 -11.453 1.00 0.00 C ATOM 337 CD LYS A 22 3.987 4.936 -12.265 1.00 0.00 C ATOM 338 CE LYS A 22 3.785 5.265 -13.745 1.00 0.00 C ATOM 339 NZ LYS A 22 4.994 4.855 -14.513 1.00 0.00 N ATOM 0 H LYS A 22 3.135 4.626 -7.554 1.00 0.00 H new ATOM 0 HA LYS A 22 1.295 4.064 -9.687 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.677 6.177 -9.392 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.118 5.241 -9.735 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.887 4.973 -11.743 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.662 6.544 -11.679 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.921 5.371 -11.909 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.065 3.857 -12.128 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.905 4.747 -14.127 1.00 0.00 H new ATOM 0 HE3 LYS A 22 3.606 6.333 -13.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.858 5.078 -15.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 5.824 5.368 -14.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.145 3.832 -14.403 1.00 0.00 H new ATOM 353 N ASP A 23 3.989 2.246 -9.372 1.00 0.00 N ATOM 354 CA ASP A 23 4.673 1.061 -9.881 1.00 0.00 C ATOM 355 C ASP A 23 3.849 -0.199 -9.630 1.00 0.00 C ATOM 356 O ASP A 23 4.362 -1.314 -9.721 1.00 0.00 O ATOM 357 CB ASP A 23 6.040 0.919 -9.209 1.00 0.00 C ATOM 358 CG ASP A 23 6.811 -0.237 -9.838 1.00 0.00 C ATOM 359 OD1 ASP A 23 6.532 -0.557 -10.982 1.00 0.00 O ATOM 360 OD2 ASP A 23 7.672 -0.784 -9.168 1.00 0.00 O ATOM 0 H ASP A 23 4.350 2.596 -8.484 1.00 0.00 H new ATOM 0 HA ASP A 23 4.803 1.181 -10.957 1.00 0.00 H new ATOM 0 HB2 ASP A 23 6.605 1.845 -9.316 1.00 0.00 H new ATOM 0 HB3 ASP A 23 5.913 0.744 -8.141 1.00 0.00 H new ATOM 365 N GLY A 24 2.570 -0.017 -9.316 1.00 0.00 N ATOM 366 CA GLY A 24 1.689 -1.151 -9.058 1.00 0.00 C ATOM 367 C GLY A 24 2.072 -1.863 -7.764 1.00 0.00 C ATOM 368 O GLY A 24 1.330 -2.712 -7.268 1.00 0.00 O ATOM 0 H GLY A 24 2.123 0.896 -9.235 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.657 -0.806 -8.995 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.741 -1.852 -9.891 1.00 0.00 H new ATOM 372 N LYS A 25 3.231 -1.509 -7.220 1.00 0.00 N ATOM 373 CA LYS A 25 3.700 -2.115 -5.979 1.00 0.00 C ATOM 374 C LYS A 25 2.746 -1.763 -4.841 1.00 0.00 C ATOM 375 O LYS A 25 2.182 -0.674 -4.820 1.00 0.00 O ATOM 376 CB LYS A 25 5.106 -1.577 -5.672 1.00 0.00 C ATOM 377 CG LYS A 25 6.112 -2.091 -6.718 1.00 0.00 C ATOM 378 CD LYS A 25 6.643 -3.472 -6.314 1.00 0.00 C ATOM 379 CE LYS A 25 7.711 -3.920 -7.313 1.00 0.00 C ATOM 380 NZ LYS A 25 7.097 -4.074 -8.662 1.00 0.00 N ATOM 0 H LYS A 25 3.860 -0.810 -7.616 1.00 0.00 H new ATOM 0 HA LYS A 25 3.734 -3.200 -6.082 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.094 -0.487 -5.673 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.414 -1.892 -4.675 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.632 -2.150 -7.695 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.940 -1.389 -6.811 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.064 -3.432 -5.309 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.827 -4.194 -6.289 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.518 -3.189 -7.351 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.151 -4.864 -6.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.733 -4.627 -9.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.186 -4.568 -8.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.943 -3.135 -9.083 1.00 0.00 H new ATOM 394 N MET A 26 2.571 -2.696 -3.907 1.00 0.00 N ATOM 395 CA MET A 26 1.676 -2.492 -2.767 1.00 0.00 C ATOM 396 C MET A 26 2.357 -1.675 -1.671 1.00 0.00 C ATOM 397 O MET A 26 3.531 -1.318 -1.780 1.00 0.00 O ATOM 398 CB MET A 26 1.224 -3.856 -2.200 1.00 0.00 C ATOM 399 CG MET A 26 -0.072 -4.296 -2.890 1.00 0.00 C ATOM 400 SD MET A 26 -0.353 -6.060 -2.590 1.00 0.00 S ATOM 401 CE MET A 26 -1.025 -6.473 -4.219 1.00 0.00 C ATOM 0 H MET A 26 3.038 -3.603 -3.917 1.00 0.00 H new ATOM 0 HA MET A 26 0.805 -1.937 -3.115 1.00 0.00 H new ATOM 0 HB2 MET A 26 2.003 -4.602 -2.357 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.067 -3.780 -1.124 1.00 0.00 H new ATOM 0 HG2 MET A 26 -0.913 -3.714 -2.512 1.00 0.00 H new ATOM 0 HG3 MET A 26 -0.008 -4.105 -3.961 1.00 0.00 H new ATOM 0 HE1 MET A 26 -1.336 -7.517 -4.230 1.00 0.00 H new ATOM 0 HE2 MET A 26 -1.884 -5.836 -4.430 1.00 0.00 H new ATOM 0 HE3 MET A 26 -0.260 -6.315 -4.979 1.00 0.00 H new ATOM 411 N GLY A 27 1.602 -1.390 -0.612 1.00 0.00 N ATOM 412 CA GLY A 27 2.125 -0.619 0.515 1.00 0.00 C ATOM 413 C GLY A 27 1.364 -0.961 1.789 1.00 0.00 C ATOM 414 O GLY A 27 0.188 -0.631 1.931 1.00 0.00 O ATOM 0 H GLY A 27 0.629 -1.680 -0.510 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.186 -0.832 0.649 1.00 0.00 H new ATOM 0 HA3 GLY A 27 2.038 0.447 0.306 1.00 0.00 H new ATOM 418 N MET A 28 2.036 -1.643 2.710 1.00 0.00 N ATOM 419 CA MET A 28 1.407 -2.048 3.959 1.00 0.00 C ATOM 420 C MET A 28 1.358 -0.889 4.951 1.00 0.00 C ATOM 421 O MET A 28 2.253 -0.726 5.780 1.00 0.00 O ATOM 422 CB MET A 28 2.184 -3.223 4.560 1.00 0.00 C ATOM 423 CG MET A 28 1.337 -3.928 5.619 1.00 0.00 C ATOM 424 SD MET A 28 -0.126 -4.705 4.863 1.00 0.00 S ATOM 425 CE MET A 28 -1.184 -4.702 6.331 1.00 0.00 C ATOM 0 H MET A 28 3.012 -1.925 2.615 1.00 0.00 H new ATOM 0 HA MET A 28 0.382 -2.353 3.751 1.00 0.00 H new ATOM 0 HB2 MET A 28 2.458 -3.927 3.775 1.00 0.00 H new ATOM 0 HB3 MET A 28 3.112 -2.865 5.005 1.00 0.00 H new ATOM 0 HG2 MET A 28 1.936 -4.685 6.126 1.00 0.00 H new ATOM 0 HG3 MET A 28 1.023 -3.210 6.377 1.00 0.00 H new ATOM 0 HE1 MET A 28 -1.578 -5.705 6.498 1.00 0.00 H new ATOM 0 HE2 MET A 28 -0.602 -4.392 7.199 1.00 0.00 H new ATOM 0 HE3 MET A 28 -2.011 -4.008 6.182 1.00 0.00 H new ATOM 435 N GLU A 29 0.293 -0.091 4.859 1.00 0.00 N ATOM 436 CA GLU A 29 0.105 1.058 5.751 1.00 0.00 C ATOM 437 C GLU A 29 -1.023 0.776 6.741 1.00 0.00 C ATOM 438 O GLU A 29 -2.186 0.668 6.353 1.00 0.00 O ATOM 439 CB GLU A 29 -0.238 2.301 4.927 1.00 0.00 C ATOM 440 CG GLU A 29 0.668 2.369 3.697 1.00 0.00 C ATOM 441 CD GLU A 29 0.382 3.642 2.908 1.00 0.00 C ATOM 442 OE1 GLU A 29 -0.731 4.133 2.998 1.00 0.00 O ATOM 443 OE2 GLU A 29 1.279 4.106 2.223 1.00 0.00 O ATOM 0 H GLU A 29 -0.454 -0.218 4.176 1.00 0.00 H new ATOM 0 HA GLU A 29 1.029 1.230 6.303 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.283 2.268 4.620 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.112 3.198 5.534 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.714 2.349 4.004 1.00 0.00 H new ATOM 0 HG3 GLU A 29 0.504 1.496 3.066 1.00 0.00 H new ATOM 450 N ASN A 30 -0.675 0.655 8.019 1.00 0.00 N ATOM 451 CA ASN A 30 -1.676 0.385 9.046 1.00 0.00 C ATOM 452 C ASN A 30 -2.543 1.617 9.290 1.00 0.00 C ATOM 453 O ASN A 30 -2.082 2.751 9.156 1.00 0.00 O ATOM 454 CB ASN A 30 -0.993 -0.035 10.349 1.00 0.00 C ATOM 455 CG ASN A 30 -0.121 1.101 10.873 1.00 0.00 C ATOM 456 OD1 ASN A 30 1.088 0.935 11.029 1.00 0.00 O ATOM 457 ND2 ASN A 30 -0.666 2.251 11.154 1.00 0.00 N ATOM 0 H ASN A 30 0.281 0.738 8.365 1.00 0.00 H new ATOM 0 HA ASN A 30 -2.314 -0.427 8.698 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -1.744 -0.301 11.093 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -0.384 -0.923 10.180 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -0.090 3.016 11.504 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -1.669 2.386 11.024 1.00 0.00 H new ATOM 464 N LYS A 31 -3.805 1.384 9.641 1.00 0.00 N ATOM 465 CA LYS A 31 -4.737 2.479 9.892 1.00 0.00 C ATOM 466 C LYS A 31 -4.326 3.283 11.124 1.00 0.00 C ATOM 467 O LYS A 31 -4.944 4.300 11.443 1.00 0.00 O ATOM 468 CB LYS A 31 -6.164 1.929 10.068 1.00 0.00 C ATOM 469 CG LYS A 31 -6.348 1.281 11.453 1.00 0.00 C ATOM 470 CD LYS A 31 -5.285 0.202 11.677 1.00 0.00 C ATOM 471 CE LYS A 31 -5.675 -0.652 12.886 1.00 0.00 C ATOM 472 NZ LYS A 31 -6.960 -1.356 12.603 1.00 0.00 N ATOM 0 H LYS A 31 -4.204 0.452 9.757 1.00 0.00 H new ATOM 0 HA LYS A 31 -4.715 3.147 9.031 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.885 2.737 9.944 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.371 1.194 9.290 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.275 2.041 12.231 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.343 0.843 11.528 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.194 -0.424 10.790 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.312 0.664 11.843 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.890 -1.377 13.101 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.779 -0.024 13.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.687 -1.034 13.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.266 -1.143 11.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.824 -2.382 12.706 1.00 0.00 H new ATOM 486 N PHE A 32 -3.289 2.824 11.816 1.00 0.00 N ATOM 487 CA PHE A 32 -2.821 3.513 13.015 1.00 0.00 C ATOM 488 C PHE A 32 -1.948 4.709 12.644 1.00 0.00 C ATOM 489 O PHE A 32 -1.194 5.221 13.472 1.00 0.00 O ATOM 490 CB PHE A 32 -2.027 2.538 13.898 1.00 0.00 C ATOM 491 CG PHE A 32 -1.996 3.043 15.324 1.00 0.00 C ATOM 492 CD1 PHE A 32 -3.144 2.948 16.121 1.00 0.00 C ATOM 493 CD2 PHE A 32 -0.826 3.608 15.849 1.00 0.00 C ATOM 494 CE1 PHE A 32 -3.121 3.414 17.441 1.00 0.00 C ATOM 495 CE2 PHE A 32 -0.803 4.074 17.168 1.00 0.00 C ATOM 496 CZ PHE A 32 -1.951 3.977 17.964 1.00 0.00 C ATOM 0 H PHE A 32 -2.760 1.987 11.572 1.00 0.00 H new ATOM 0 HA PHE A 32 -3.687 3.877 13.567 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.483 1.549 13.863 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.011 2.434 13.518 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -4.047 2.515 15.717 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.059 3.684 15.235 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -4.006 3.339 18.056 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.100 4.508 17.572 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.934 4.337 18.982 1.00 0.00 H new ATOM 506 N GLY A 33 -2.055 5.150 11.394 1.00 0.00 N ATOM 507 CA GLY A 33 -1.271 6.287 10.927 1.00 0.00 C ATOM 508 C GLY A 33 0.214 5.943 10.899 1.00 0.00 C ATOM 509 O GLY A 33 1.069 6.826 10.977 1.00 0.00 O ATOM 0 H GLY A 33 -2.672 4.741 10.692 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.601 6.577 9.930 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.439 7.143 11.580 1.00 0.00 H new ATOM 513 N LYS A 34 0.511 4.651 10.787 1.00 0.00 N ATOM 514 CA LYS A 34 1.895 4.178 10.746 1.00 0.00 C ATOM 515 C LYS A 34 2.044 3.069 9.711 1.00 0.00 C ATOM 516 O LYS A 34 1.066 2.650 9.092 1.00 0.00 O ATOM 517 CB LYS A 34 2.305 3.652 12.123 1.00 0.00 C ATOM 518 CG LYS A 34 2.391 4.819 13.109 1.00 0.00 C ATOM 519 CD LYS A 34 2.947 4.322 14.445 1.00 0.00 C ATOM 520 CE LYS A 34 2.825 5.430 15.492 1.00 0.00 C ATOM 521 NZ LYS A 34 3.338 4.934 16.801 1.00 0.00 N ATOM 0 H LYS A 34 -0.188 3.911 10.723 1.00 0.00 H new ATOM 0 HA LYS A 34 2.541 5.011 10.469 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.580 2.918 12.474 1.00 0.00 H new ATOM 0 HB3 LYS A 34 3.267 3.144 12.059 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.032 5.603 12.706 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.404 5.258 13.255 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.401 3.437 14.771 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.991 4.029 14.330 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.390 6.307 15.177 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.784 5.739 15.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.256 5.687 17.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.781 4.109 17.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.336 4.660 16.701 1.00 0.00 H new ATOM 535 N SER A 35 3.276 2.596 9.527 1.00 0.00 N ATOM 536 CA SER A 35 3.556 1.531 8.560 1.00 0.00 C ATOM 537 C SER A 35 3.862 0.221 9.277 1.00 0.00 C ATOM 538 O SER A 35 4.269 0.217 10.438 1.00 0.00 O ATOM 539 CB SER A 35 4.751 1.924 7.693 1.00 0.00 C ATOM 540 OG SER A 35 4.601 3.274 7.271 1.00 0.00 O ATOM 0 H SER A 35 4.096 2.931 10.033 1.00 0.00 H new ATOM 0 HA SER A 35 2.675 1.392 7.934 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.677 1.807 8.256 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.819 1.266 6.827 1.00 0.00 H new ATOM 0 HG SER A 35 5.433 3.581 6.854 1.00 0.00 H new ATOM 546 N MET A 36 3.666 -0.894 8.571 1.00 0.00 N ATOM 547 CA MET A 36 3.927 -2.219 9.135 1.00 0.00 C ATOM 548 C MET A 36 4.672 -3.073 8.118 1.00 0.00 C ATOM 549 O MET A 36 4.127 -3.426 7.072 1.00 0.00 O ATOM 550 CB MET A 36 2.608 -2.899 9.508 1.00 0.00 C ATOM 551 CG MET A 36 2.051 -2.271 10.788 1.00 0.00 C ATOM 552 SD MET A 36 3.080 -2.756 12.195 1.00 0.00 S ATOM 553 CE MET A 36 2.202 -4.287 12.602 1.00 0.00 C ATOM 0 H MET A 36 3.328 -0.906 7.609 1.00 0.00 H new ATOM 0 HA MET A 36 4.537 -2.108 10.031 1.00 0.00 H new ATOM 0 HB2 MET A 36 1.889 -2.792 8.696 1.00 0.00 H new ATOM 0 HB3 MET A 36 2.767 -3.967 9.654 1.00 0.00 H new ATOM 0 HG2 MET A 36 2.032 -1.185 10.695 1.00 0.00 H new ATOM 0 HG3 MET A 36 1.023 -2.595 10.947 1.00 0.00 H new ATOM 0 HE1 MET A 36 2.678 -4.762 13.460 1.00 0.00 H new ATOM 0 HE2 MET A 36 1.164 -4.058 12.843 1.00 0.00 H new ATOM 0 HE3 MET A 36 2.235 -4.963 11.748 1.00 0.00 H new ATOM 563 N ASN A 37 5.923 -3.394 8.425 1.00 0.00 N ATOM 564 CA ASN A 37 6.732 -4.198 7.521 1.00 0.00 C ATOM 565 C ASN A 37 6.198 -5.619 7.427 1.00 0.00 C ATOM 566 O ASN A 37 6.572 -6.488 8.215 1.00 0.00 O ATOM 567 CB ASN A 37 8.184 -4.238 7.997 1.00 0.00 C ATOM 568 CG ASN A 37 9.026 -5.031 7.001 1.00 0.00 C ATOM 569 OD1 ASN A 37 10.004 -4.513 6.463 1.00 0.00 O ATOM 570 ND2 ASN A 37 8.701 -6.266 6.723 1.00 0.00 N ATOM 0 H ASN A 37 6.395 -3.113 9.285 1.00 0.00 H new ATOM 0 HA ASN A 37 6.683 -3.736 6.535 1.00 0.00 H new ATOM 0 HB2 ASN A 37 8.574 -3.225 8.093 1.00 0.00 H new ATOM 0 HB3 ASN A 37 8.242 -4.697 8.984 1.00 0.00 H new ATOM 0 HD21 ASN A 37 9.259 -6.803 6.059 1.00 0.00 H new ATOM 0 HD22 ASN A 37 7.890 -6.693 7.170 1.00 0.00 H new ATOM 577 N MET A 38 5.334 -5.857 6.444 1.00 0.00 N ATOM 578 CA MET A 38 4.765 -7.185 6.235 1.00 0.00 C ATOM 579 C MET A 38 5.668 -7.963 5.256 1.00 0.00 C ATOM 580 O MET A 38 5.984 -7.448 4.184 1.00 0.00 O ATOM 581 CB MET A 38 3.341 -7.034 5.670 1.00 0.00 C ATOM 582 CG MET A 38 2.902 -8.307 4.943 1.00 0.00 C ATOM 583 SD MET A 38 1.113 -8.263 4.640 1.00 0.00 S ATOM 584 CE MET A 38 0.516 -9.033 6.167 1.00 0.00 C ATOM 0 H MET A 38 5.013 -5.150 5.782 1.00 0.00 H new ATOM 0 HA MET A 38 4.710 -7.736 7.174 1.00 0.00 H new ATOM 0 HB2 MET A 38 2.646 -6.816 6.480 1.00 0.00 H new ATOM 0 HB3 MET A 38 3.306 -6.188 4.983 1.00 0.00 H new ATOM 0 HG2 MET A 38 3.437 -8.399 3.998 1.00 0.00 H new ATOM 0 HG3 MET A 38 3.157 -9.183 5.540 1.00 0.00 H new ATOM 0 HE1 MET A 38 0.035 -9.982 5.932 1.00 0.00 H new ATOM 0 HE2 MET A 38 1.356 -9.209 6.838 1.00 0.00 H new ATOM 0 HE3 MET A 38 -0.203 -8.372 6.651 1.00 0.00 H new ATOM 594 N PRO A 39 6.105 -9.167 5.582 1.00 0.00 N ATOM 595 CA PRO A 39 6.995 -9.946 4.670 1.00 0.00 C ATOM 596 C PRO A 39 6.261 -10.418 3.415 1.00 0.00 C ATOM 597 O PRO A 39 5.177 -10.994 3.493 1.00 0.00 O ATOM 598 CB PRO A 39 7.466 -11.128 5.533 1.00 0.00 C ATOM 599 CG PRO A 39 6.398 -11.309 6.563 1.00 0.00 C ATOM 600 CD PRO A 39 5.811 -9.917 6.822 1.00 0.00 C ATOM 0 HA PRO A 39 7.824 -9.347 4.292 1.00 0.00 H new ATOM 0 HB2 PRO A 39 7.591 -12.029 4.933 1.00 0.00 H new ATOM 0 HB3 PRO A 39 8.430 -10.918 5.997 1.00 0.00 H new ATOM 0 HG2 PRO A 39 5.629 -11.996 6.209 1.00 0.00 H new ATOM 0 HG3 PRO A 39 6.809 -11.734 7.479 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.739 -9.966 7.014 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.270 -9.446 7.691 1.00 0.00 H new ATOM 608 N GLU A 40 6.867 -10.157 2.261 1.00 0.00 N ATOM 609 CA GLU A 40 6.279 -10.544 0.985 1.00 0.00 C ATOM 610 C GLU A 40 5.719 -11.961 1.051 1.00 0.00 C ATOM 611 O GLU A 40 6.352 -12.867 1.593 1.00 0.00 O ATOM 612 CB GLU A 40 7.343 -10.466 -0.116 1.00 0.00 C ATOM 613 CG GLU A 40 6.705 -10.730 -1.485 1.00 0.00 C ATOM 614 CD GLU A 40 6.499 -12.228 -1.696 1.00 0.00 C ATOM 615 OE1 GLU A 40 7.489 -12.940 -1.745 1.00 0.00 O ATOM 616 OE2 GLU A 40 5.356 -12.639 -1.803 1.00 0.00 O ATOM 0 H GLU A 40 7.765 -9.679 2.184 1.00 0.00 H new ATOM 0 HA GLU A 40 5.462 -9.858 0.760 1.00 0.00 H new ATOM 0 HB2 GLU A 40 7.813 -9.483 -0.109 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.129 -11.197 0.075 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.749 -10.212 -1.554 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.342 -10.329 -2.274 1.00 0.00 H new ATOM 623 N GLY A 41 4.531 -12.147 0.479 1.00 0.00 N ATOM 624 CA GLY A 41 3.887 -13.460 0.456 1.00 0.00 C ATOM 625 C GLY A 41 2.824 -13.588 1.542 1.00 0.00 C ATOM 626 O GLY A 41 2.002 -14.502 1.503 1.00 0.00 O ATOM 0 H GLY A 41 3.995 -11.407 0.026 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.431 -13.624 -0.520 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.640 -14.237 0.591 1.00 0.00 H new ATOM 630 N LYS A 42 2.834 -12.677 2.510 1.00 0.00 N ATOM 631 CA LYS A 42 1.846 -12.733 3.582 1.00 0.00 C ATOM 632 C LYS A 42 0.468 -12.395 3.024 1.00 0.00 C ATOM 633 O LYS A 42 -0.004 -11.261 3.116 1.00 0.00 O ATOM 634 CB LYS A 42 2.230 -11.769 4.717 1.00 0.00 C ATOM 635 CG LYS A 42 1.728 -12.301 6.075 1.00 0.00 C ATOM 636 CD LYS A 42 2.736 -13.302 6.658 1.00 0.00 C ATOM 637 CE LYS A 42 2.035 -14.221 7.662 1.00 0.00 C ATOM 638 NZ LYS A 42 1.148 -15.171 6.932 1.00 0.00 N ATOM 0 H LYS A 42 3.500 -11.907 2.575 1.00 0.00 H new ATOM 0 HA LYS A 42 1.820 -13.742 3.994 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.313 -11.646 4.746 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.803 -10.785 4.526 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.585 -11.472 6.768 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.758 -12.782 5.949 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.179 -13.894 5.857 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.551 -12.768 7.147 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.774 -14.771 8.245 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.450 -13.629 8.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.010 -16.028 7.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.227 -14.721 6.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.587 -15.429 6.025 1.00 0.00 H new ATOM 652 N VAL A 43 -0.153 -13.399 2.430 1.00 0.00 N ATOM 653 CA VAL A 43 -1.472 -13.243 1.823 1.00 0.00 C ATOM 654 C VAL A 43 -2.391 -12.383 2.685 1.00 0.00 C ATOM 655 O VAL A 43 -2.642 -12.702 3.847 1.00 0.00 O ATOM 656 CB VAL A 43 -2.111 -14.617 1.619 1.00 0.00 C ATOM 657 CG1 VAL A 43 -3.362 -14.474 0.750 1.00 0.00 C ATOM 658 CG2 VAL A 43 -1.112 -15.544 0.924 1.00 0.00 C ATOM 0 H VAL A 43 0.235 -14.339 2.353 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.339 -12.743 0.864 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.387 -15.037 2.586 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.818 -15.453 0.604 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.074 -13.812 1.243 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.087 -14.054 -0.218 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.566 -16.524 0.778 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.837 -15.123 -0.043 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.220 -15.646 1.542 1.00 0.00 H new ATOM 668 N MET A 44 -2.917 -11.304 2.096 1.00 0.00 N ATOM 669 CA MET A 44 -3.840 -10.420 2.805 1.00 0.00 C ATOM 670 C MET A 44 -5.242 -10.647 2.251 1.00 0.00 C ATOM 671 O MET A 44 -5.415 -10.796 1.041 1.00 0.00 O ATOM 672 CB MET A 44 -3.444 -8.945 2.613 1.00 0.00 C ATOM 673 CG MET A 44 -1.938 -8.748 2.817 1.00 0.00 C ATOM 674 SD MET A 44 -1.464 -7.072 2.291 1.00 0.00 S ATOM 675 CE MET A 44 -1.551 -7.330 0.500 1.00 0.00 C ATOM 0 H MET A 44 -2.719 -11.025 1.135 1.00 0.00 H new ATOM 0 HA MET A 44 -3.806 -10.644 3.871 1.00 0.00 H new ATOM 0 HB2 MET A 44 -3.725 -8.617 1.612 1.00 0.00 H new ATOM 0 HB3 MET A 44 -3.994 -8.322 3.318 1.00 0.00 H new ATOM 0 HG2 MET A 44 -1.680 -8.897 3.866 1.00 0.00 H new ATOM 0 HG3 MET A 44 -1.383 -9.490 2.244 1.00 0.00 H new ATOM 0 HE1 MET A 44 -0.899 -6.615 -0.003 1.00 0.00 H new ATOM 0 HE2 MET A 44 -1.229 -8.344 0.262 1.00 0.00 H new ATOM 0 HE3 MET A 44 -2.577 -7.186 0.161 1.00 0.00 H new ATOM 685 N GLU A 45 -6.242 -10.698 3.132 1.00 0.00 N ATOM 686 CA GLU A 45 -7.628 -10.936 2.703 1.00 0.00 C ATOM 687 C GLU A 45 -8.524 -9.761 3.071 1.00 0.00 C ATOM 688 O GLU A 45 -8.633 -9.393 4.241 1.00 0.00 O ATOM 689 CB GLU A 45 -8.161 -12.205 3.371 1.00 0.00 C ATOM 690 CG GLU A 45 -9.526 -12.559 2.777 1.00 0.00 C ATOM 691 CD GLU A 45 -10.008 -13.893 3.337 1.00 0.00 C ATOM 692 OE1 GLU A 45 -10.571 -13.891 4.419 1.00 0.00 O ATOM 693 OE2 GLU A 45 -9.806 -14.897 2.674 1.00 0.00 O ATOM 0 H GLU A 45 -6.124 -10.579 4.138 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.635 -11.052 1.619 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.463 -13.028 3.221 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.249 -12.053 4.447 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.247 -11.776 3.010 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.456 -12.615 1.691 1.00 0.00 H new ATOM 700 N THR A 46 -9.174 -9.182 2.065 1.00 0.00 N ATOM 701 CA THR A 46 -10.068 -8.054 2.301 1.00 0.00 C ATOM 702 C THR A 46 -11.381 -8.529 2.914 1.00 0.00 C ATOM 703 O THR A 46 -11.656 -9.728 2.964 1.00 0.00 O ATOM 704 CB THR A 46 -10.355 -7.329 0.987 1.00 0.00 C ATOM 705 OG1 THR A 46 -11.207 -8.130 0.182 1.00 0.00 O ATOM 706 CG2 THR A 46 -9.041 -7.072 0.253 1.00 0.00 C ATOM 0 H THR A 46 -9.100 -9.471 1.090 1.00 0.00 H new ATOM 0 HA THR A 46 -9.580 -7.370 2.995 1.00 0.00 H new ATOM 0 HB THR A 46 -10.845 -6.377 1.192 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.646 -7.568 -0.490 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.243 -6.555 -0.685 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.392 -6.456 0.875 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.549 -8.022 0.045 1.00 0.00 H new ATOM 714 N ARG A 47 -12.191 -7.580 3.373 1.00 0.00 N ATOM 715 CA ARG A 47 -13.474 -7.915 3.977 1.00 0.00 C ATOM 716 C ARG A 47 -14.370 -8.616 2.961 1.00 0.00 C ATOM 717 O ARG A 47 -15.110 -9.538 3.303 1.00 0.00 O ATOM 718 CB ARG A 47 -14.165 -6.646 4.482 1.00 0.00 C ATOM 719 CG ARG A 47 -14.223 -5.611 3.357 1.00 0.00 C ATOM 720 CD ARG A 47 -14.817 -4.308 3.894 1.00 0.00 C ATOM 721 NE ARG A 47 -14.802 -3.281 2.858 1.00 0.00 N ATOM 722 CZ ARG A 47 -15.267 -2.059 3.096 1.00 0.00 C ATOM 723 NH1 ARG A 47 -15.747 -1.761 4.272 1.00 0.00 N ATOM 724 NH2 ARG A 47 -15.243 -1.157 2.153 1.00 0.00 N ATOM 0 H ARG A 47 -11.984 -6.582 3.339 1.00 0.00 H new ATOM 0 HA ARG A 47 -13.297 -8.586 4.817 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -15.172 -6.881 4.826 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -13.623 -6.240 5.336 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -13.223 -5.432 2.961 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -14.829 -5.987 2.533 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -15.839 -4.478 4.232 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -14.247 -3.970 4.759 1.00 0.00 H new ATOM 0 HE ARG A 47 -14.428 -3.505 1.936 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -15.765 -2.466 5.009 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -16.104 -0.823 4.454 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -14.867 -1.390 1.234 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -15.600 -0.219 2.335 1.00 0.00 H new ATOM 738 N ASP A 48 -14.294 -8.173 1.709 1.00 0.00 N ATOM 739 CA ASP A 48 -15.096 -8.769 0.649 1.00 0.00 C ATOM 740 C ASP A 48 -14.561 -10.150 0.291 1.00 0.00 C ATOM 741 O ASP A 48 -15.163 -10.876 -0.499 1.00 0.00 O ATOM 742 CB ASP A 48 -15.075 -7.872 -0.590 1.00 0.00 C ATOM 743 CG ASP A 48 -15.599 -6.484 -0.237 1.00 0.00 C ATOM 744 OD1 ASP A 48 -16.605 -6.409 0.451 1.00 0.00 O ATOM 745 OD2 ASP A 48 -14.990 -5.516 -0.660 1.00 0.00 O ATOM 0 H ASP A 48 -13.690 -7.409 1.407 1.00 0.00 H new ATOM 0 HA ASP A 48 -16.122 -8.869 1.004 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -14.059 -7.798 -0.979 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -15.687 -8.311 -1.378 1.00 0.00 H new ATOM 750 N GLY A 49 -13.424 -10.505 0.883 1.00 0.00 N ATOM 751 CA GLY A 49 -12.808 -11.804 0.627 1.00 0.00 C ATOM 752 C GLY A 49 -11.932 -11.762 -0.621 1.00 0.00 C ATOM 753 O GLY A 49 -11.799 -12.761 -1.329 1.00 0.00 O ATOM 0 H GLY A 49 -12.913 -9.915 1.540 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.207 -12.100 1.487 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.584 -12.560 0.505 1.00 0.00 H new ATOM 757 N THR A 50 -11.332 -10.603 -0.886 1.00 0.00 N ATOM 758 CA THR A 50 -10.464 -10.450 -2.054 1.00 0.00 C ATOM 759 C THR A 50 -9.034 -10.836 -1.699 1.00 0.00 C ATOM 760 O THR A 50 -8.399 -10.201 -0.856 1.00 0.00 O ATOM 761 CB THR A 50 -10.498 -9.002 -2.547 1.00 0.00 C ATOM 762 OG1 THR A 50 -11.848 -8.591 -2.715 1.00 0.00 O ATOM 763 CG2 THR A 50 -9.760 -8.897 -3.882 1.00 0.00 C ATOM 0 H THR A 50 -11.429 -9.763 -0.315 1.00 0.00 H new ATOM 0 HA THR A 50 -10.825 -11.107 -2.845 1.00 0.00 H new ATOM 0 HB THR A 50 -10.011 -8.358 -1.815 1.00 0.00 H new ATOM 0 HG1 THR A 50 -11.871 -7.663 -3.029 1.00 0.00 H new ATOM 0 HG21 THR A 50 -9.785 -7.865 -4.232 1.00 0.00 H new ATOM 0 HG22 THR A 50 -8.724 -9.210 -3.751 1.00 0.00 H new ATOM 0 HG23 THR A 50 -10.244 -9.541 -4.617 1.00 0.00 H new ATOM 771 N LYS A 51 -8.533 -11.885 -2.340 1.00 0.00 N ATOM 772 CA LYS A 51 -7.177 -12.353 -2.079 1.00 0.00 C ATOM 773 C LYS A 51 -6.150 -11.432 -2.728 1.00 0.00 C ATOM 774 O LYS A 51 -6.072 -11.338 -3.954 1.00 0.00 O ATOM 775 CB LYS A 51 -7.002 -13.773 -2.616 1.00 0.00 C ATOM 776 CG LYS A 51 -5.585 -14.265 -2.313 1.00 0.00 C ATOM 777 CD LYS A 51 -5.515 -15.782 -2.506 1.00 0.00 C ATOM 778 CE LYS A 51 -5.760 -16.127 -3.977 1.00 0.00 C ATOM 779 NZ LYS A 51 -5.320 -17.526 -4.240 1.00 0.00 N ATOM 0 H LYS A 51 -9.041 -12.425 -3.040 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.017 -12.348 -1.001 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.734 -14.438 -2.159 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.182 -13.791 -3.691 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.870 -13.771 -2.971 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.310 -14.005 -1.291 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.539 -16.153 -2.193 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.259 -16.273 -1.879 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.818 -16.016 -4.216 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -5.214 -15.436 -4.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.487 -17.760 -5.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.306 -17.617 -4.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.860 -18.179 -3.637 1.00 0.00 H new ATOM 793 N ILE A 52 -5.357 -10.763 -1.894 1.00 0.00 N ATOM 794 CA ILE A 52 -4.316 -9.854 -2.379 1.00 0.00 C ATOM 795 C ILE A 52 -3.020 -10.109 -1.617 1.00 0.00 C ATOM 796 O ILE A 52 -2.961 -9.953 -0.397 1.00 0.00 O ATOM 797 CB ILE A 52 -4.757 -8.390 -2.194 1.00 0.00 C ATOM 798 CG1 ILE A 52 -5.542 -8.244 -0.889 1.00 0.00 C ATOM 799 CG2 ILE A 52 -5.659 -7.967 -3.348 1.00 0.00 C ATOM 800 CD1 ILE A 52 -5.620 -6.768 -0.504 1.00 0.00 C ATOM 0 H ILE A 52 -5.414 -10.832 -0.878 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.152 -10.036 -3.441 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.867 -7.762 -2.168 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -6.545 -8.653 -1.008 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.058 -8.813 -0.095 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.966 -6.930 -3.209 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.115 -8.061 -4.288 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.541 -8.606 -3.373 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -6.179 -6.664 0.426 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.613 -6.374 -0.368 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.124 -6.212 -1.295 1.00 0.00 H new ATOM 812 N ILE A 53 -1.988 -10.518 -2.347 1.00 0.00 N ATOM 813 CA ILE A 53 -0.691 -10.813 -1.740 1.00 0.00 C ATOM 814 C ILE A 53 0.156 -9.555 -1.625 1.00 0.00 C ATOM 815 O ILE A 53 0.146 -8.705 -2.513 1.00 0.00 O ATOM 816 CB ILE A 53 0.051 -11.852 -2.582 1.00 0.00 C ATOM 817 CG1 ILE A 53 -0.828 -13.096 -2.742 1.00 0.00 C ATOM 818 CG2 ILE A 53 1.356 -12.237 -1.883 1.00 0.00 C ATOM 819 CD1 ILE A 53 -0.183 -14.049 -3.753 1.00 0.00 C ATOM 0 H ILE A 53 -2.022 -10.653 -3.357 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.865 -11.206 -0.738 1.00 0.00 H new ATOM 0 HB ILE A 53 0.275 -11.434 -3.563 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.949 -13.595 -1.781 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.824 -12.810 -3.080 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.885 -12.978 -2.483 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.981 -11.352 -1.765 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.133 -12.657 -0.902 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.808 -14.935 -3.868 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.085 -13.547 -4.715 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.804 -14.345 -3.396 1.00 0.00 H new ATOM 831 N MET A 54 0.900 -9.449 -0.527 1.00 0.00 N ATOM 832 CA MET A 54 1.760 -8.293 -0.312 1.00 0.00 C ATOM 833 C MET A 54 2.868 -8.275 -1.361 1.00 0.00 C ATOM 834 O MET A 54 3.985 -8.725 -1.108 1.00 0.00 O ATOM 835 CB MET A 54 2.363 -8.339 1.101 1.00 0.00 C ATOM 836 CG MET A 54 3.137 -7.044 1.390 1.00 0.00 C ATOM 837 SD MET A 54 1.993 -5.720 1.878 1.00 0.00 S ATOM 838 CE MET A 54 2.879 -4.337 1.109 1.00 0.00 C ATOM 0 H MET A 54 0.924 -10.143 0.220 1.00 0.00 H new ATOM 0 HA MET A 54 1.168 -7.383 -0.407 1.00 0.00 H new ATOM 0 HB2 MET A 54 1.571 -8.470 1.838 1.00 0.00 H new ATOM 0 HB3 MET A 54 3.029 -9.197 1.192 1.00 0.00 H new ATOM 0 HG2 MET A 54 3.864 -7.216 2.184 1.00 0.00 H new ATOM 0 HG3 MET A 54 3.697 -6.742 0.505 1.00 0.00 H new ATOM 0 HE1 MET A 54 2.189 -3.510 0.943 1.00 0.00 H new ATOM 0 HE2 MET A 54 3.685 -4.011 1.766 1.00 0.00 H new ATOM 0 HE3 MET A 54 3.297 -4.658 0.155 1.00 0.00 H new ATOM 848 N LYS A 55 2.548 -7.748 -2.538 1.00 0.00 N ATOM 849 CA LYS A 55 3.521 -7.670 -3.621 1.00 0.00 C ATOM 850 C LYS A 55 4.618 -6.675 -3.271 1.00 0.00 C ATOM 851 O LYS A 55 5.774 -7.045 -3.070 1.00 0.00 O ATOM 852 CB LYS A 55 2.826 -7.218 -4.914 1.00 0.00 C ATOM 853 CG LYS A 55 3.781 -7.368 -6.110 1.00 0.00 C ATOM 854 CD LYS A 55 2.980 -7.429 -7.419 1.00 0.00 C ATOM 855 CE LYS A 55 2.286 -6.088 -7.665 1.00 0.00 C ATOM 856 NZ LYS A 55 3.294 -4.992 -7.616 1.00 0.00 N ATOM 0 H LYS A 55 1.628 -7.371 -2.766 1.00 0.00 H new ATOM 0 HA LYS A 55 3.961 -8.657 -3.765 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.928 -7.813 -5.080 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.508 -6.180 -4.821 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.476 -6.529 -6.138 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.378 -8.273 -5.997 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.643 -7.664 -8.251 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.240 -8.228 -7.366 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.788 -6.096 -8.635 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.515 -5.922 -6.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.905 -4.142 -8.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.526 -4.778 -6.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.155 -5.290 -8.117 1.00 0.00 H new ATOM 870 N GLY A 56 4.236 -5.408 -3.212 1.00 0.00 N ATOM 871 CA GLY A 56 5.173 -4.340 -2.898 1.00 0.00 C ATOM 872 C GLY A 56 5.536 -4.322 -1.418 1.00 0.00 C ATOM 873 O GLY A 56 5.038 -3.485 -0.665 1.00 0.00 O ATOM 0 H GLY A 56 3.280 -5.094 -3.378 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.078 -4.464 -3.493 1.00 0.00 H new ATOM 0 HA3 GLY A 56 4.737 -3.381 -3.177 1.00 0.00 H new ATOM 877 N ASN A 57 6.412 -5.230 -1.002 1.00 0.00 N ATOM 878 CA ASN A 57 6.826 -5.272 0.396 1.00 0.00 C ATOM 879 C ASN A 57 7.708 -4.068 0.710 1.00 0.00 C ATOM 880 O ASN A 57 8.043 -3.811 1.866 1.00 0.00 O ATOM 881 CB ASN A 57 7.593 -6.562 0.688 1.00 0.00 C ATOM 882 CG ASN A 57 8.098 -6.551 2.128 1.00 0.00 C ATOM 883 OD1 ASN A 57 9.093 -7.204 2.441 1.00 0.00 O ATOM 884 ND2 ASN A 57 7.466 -5.846 3.027 1.00 0.00 N ATOM 0 H ASN A 57 6.843 -5.935 -1.600 1.00 0.00 H new ATOM 0 HA ASN A 57 5.936 -5.243 1.024 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.946 -7.424 0.527 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.432 -6.660 -0.000 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.797 -5.835 3.992 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.642 -5.306 2.764 1.00 0.00 H new ATOM 891 N GLU A 58 8.074 -3.330 -0.334 1.00 0.00 N ATOM 892 CA GLU A 58 8.910 -2.148 -0.167 1.00 0.00 C ATOM 893 C GLU A 58 8.076 -0.981 0.344 1.00 0.00 C ATOM 894 O GLU A 58 7.721 -0.079 -0.412 1.00 0.00 O ATOM 895 CB GLU A 58 9.557 -1.772 -1.502 1.00 0.00 C ATOM 896 CG GLU A 58 10.391 -2.946 -2.017 1.00 0.00 C ATOM 897 CD GLU A 58 10.960 -2.618 -3.392 1.00 0.00 C ATOM 898 OE1 GLU A 58 11.210 -1.451 -3.644 1.00 0.00 O ATOM 899 OE2 GLU A 58 11.139 -3.539 -4.172 1.00 0.00 O ATOM 0 H GLU A 58 7.806 -3.529 -1.298 1.00 0.00 H new ATOM 0 HA GLU A 58 9.690 -2.373 0.560 1.00 0.00 H new ATOM 0 HB2 GLU A 58 8.788 -1.512 -2.230 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.188 -0.892 -1.377 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.202 -3.160 -1.321 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.775 -3.843 -2.074 1.00 0.00 H new ATOM 906 N ILE A 59 7.762 -1.010 1.634 1.00 0.00 N ATOM 907 CA ILE A 59 6.963 0.047 2.240 1.00 0.00 C ATOM 908 C ILE A 59 7.767 1.341 2.342 1.00 0.00 C ATOM 909 O ILE A 59 7.214 2.406 2.616 1.00 0.00 O ATOM 910 CB ILE A 59 6.500 -0.394 3.631 1.00 0.00 C ATOM 911 CG1 ILE A 59 7.714 -0.817 4.468 1.00 0.00 C ATOM 912 CG2 ILE A 59 5.546 -1.583 3.492 1.00 0.00 C ATOM 913 CD1 ILE A 59 7.290 -1.024 5.927 1.00 0.00 C ATOM 0 H ILE A 59 8.047 -1.749 2.277 1.00 0.00 H new ATOM 0 HA ILE A 59 6.093 0.234 1.610 1.00 0.00 H new ATOM 0 HB ILE A 59 5.990 0.434 4.123 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.140 -1.738 4.069 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.491 -0.055 4.410 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.214 -1.900 4.480 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.682 -1.289 2.896 1.00 0.00 H new ATOM 0 HG23 ILE A 59 6.062 -2.408 3.000 1.00 0.00 H new ATOM 0 HD11 ILE A 59 8.155 -1.324 6.518 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.885 -0.093 6.324 1.00 0.00 H new ATOM 0 HD13 ILE A 59 6.528 -1.802 5.978 1.00 0.00 H new ATOM 925 N PHE A 60 9.072 1.236 2.121 1.00 0.00 N ATOM 926 CA PHE A 60 9.948 2.402 2.191 1.00 0.00 C ATOM 927 C PHE A 60 9.402 3.545 1.339 1.00 0.00 C ATOM 928 O PHE A 60 9.636 4.717 1.634 1.00 0.00 O ATOM 929 CB PHE A 60 11.350 2.030 1.706 1.00 0.00 C ATOM 930 CG PHE A 60 12.276 3.210 1.885 1.00 0.00 C ATOM 931 CD1 PHE A 60 12.980 3.370 3.084 1.00 0.00 C ATOM 932 CD2 PHE A 60 12.429 4.142 0.853 1.00 0.00 C ATOM 933 CE1 PHE A 60 13.839 4.463 3.251 1.00 0.00 C ATOM 934 CE2 PHE A 60 13.287 5.236 1.019 1.00 0.00 C ATOM 935 CZ PHE A 60 13.991 5.396 2.219 1.00 0.00 C ATOM 0 H PHE A 60 9.546 0.362 1.893 1.00 0.00 H new ATOM 0 HA PHE A 60 9.994 2.732 3.229 1.00 0.00 H new ATOM 0 HB2 PHE A 60 11.724 1.173 2.266 1.00 0.00 H new ATOM 0 HB3 PHE A 60 11.317 1.736 0.657 1.00 0.00 H new ATOM 0 HD1 PHE A 60 12.861 2.650 3.880 1.00 0.00 H new ATOM 0 HD2 PHE A 60 11.885 4.018 -0.072 1.00 0.00 H new ATOM 0 HE1 PHE A 60 14.384 4.586 4.175 1.00 0.00 H new ATOM 0 HE2 PHE A 60 13.406 5.956 0.222 1.00 0.00 H new ATOM 0 HZ PHE A 60 14.652 6.240 2.348 1.00 0.00 H new ATOM 945 N ARG A 61 8.677 3.199 0.280 1.00 0.00 N ATOM 946 CA ARG A 61 8.109 4.208 -0.608 1.00 0.00 C ATOM 947 C ARG A 61 7.301 5.231 0.185 1.00 0.00 C ATOM 948 O ARG A 61 7.459 6.437 0.001 1.00 0.00 O ATOM 949 CB ARG A 61 7.209 3.543 -1.651 1.00 0.00 C ATOM 950 CG ARG A 61 7.991 2.448 -2.389 1.00 0.00 C ATOM 951 CD ARG A 61 9.099 3.070 -3.249 1.00 0.00 C ATOM 952 NE ARG A 61 9.494 2.144 -4.304 1.00 0.00 N ATOM 953 CZ ARG A 61 8.689 1.887 -5.329 1.00 0.00 C ATOM 954 NH1 ARG A 61 7.522 2.466 -5.403 1.00 0.00 N ATOM 955 NH2 ARG A 61 9.064 1.053 -6.261 1.00 0.00 N ATOM 0 H ARG A 61 8.470 2.236 0.017 1.00 0.00 H new ATOM 0 HA ARG A 61 8.929 4.721 -1.110 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.332 3.113 -1.167 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.849 4.287 -2.361 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.426 1.755 -1.669 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.314 1.870 -3.018 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.749 4.005 -3.687 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.960 3.313 -2.626 1.00 0.00 H new ATOM 0 HE ARG A 61 10.404 1.686 -4.254 1.00 0.00 H new ATOM 0 HH11 ARG A 61 7.228 3.116 -4.674 1.00 0.00 H new ATOM 0 HH12 ARG A 61 6.904 2.269 -6.190 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.975 0.599 -6.202 1.00 0.00 H new ATOM 0 HH22 ARG A 61 8.446 0.856 -7.048 1.00 0.00 H new ATOM 969 N LEU A 62 6.435 4.745 1.069 1.00 0.00 N ATOM 970 CA LEU A 62 5.611 5.634 1.879 1.00 0.00 C ATOM 971 C LEU A 62 6.484 6.692 2.550 1.00 0.00 C ATOM 972 O LEU A 62 6.204 7.887 2.463 1.00 0.00 O ATOM 973 CB LEU A 62 4.861 4.821 2.943 1.00 0.00 C ATOM 974 CG LEU A 62 4.141 5.753 3.931 1.00 0.00 C ATOM 975 CD1 LEU A 62 3.276 6.763 3.167 1.00 0.00 C ATOM 976 CD2 LEU A 62 3.249 4.912 4.852 1.00 0.00 C ATOM 0 H LEU A 62 6.287 3.751 1.241 1.00 0.00 H new ATOM 0 HA LEU A 62 4.887 6.133 1.235 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.137 4.163 2.462 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.562 4.183 3.482 1.00 0.00 H new ATOM 0 HG LEU A 62 4.881 6.295 4.521 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.770 7.419 3.876 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.908 7.359 2.509 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.534 6.230 2.572 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.734 5.566 5.556 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.514 4.373 4.254 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.863 4.199 5.401 1.00 0.00 H new