USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=13 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= 0.279 USER MOD Set 1.2: A 50 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 37 ASN : amide:sc= -4.24! C(o=-9.4!,f=-3.2!) USER MOD Set 2.2: A 57 ASN : amide:sc= -5.16! K(o=-9.4!,f=-3.2) 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 30:sc= -0.334 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.329 USER MOD Single : A 13 GLN : amide:sc= -0.633 K(o=-0.63,f=0) 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= -0.288 X(o=-0.29,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -136:sc= -0.86 (180deg=-2.25!) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl -135:sc= -0.0494 (180deg=-1.67) USER MOD Single : A 30 ASN : amide:sc= -12.1! C(o=-12!,f=-23!) USER MOD Single : A 31 LYS NZ :NH3+ -165:sc= -0.0185 (180deg=-0.328) USER MOD Single : A 34 LYS NZ :NH3+ -134:sc= -2.27 (180deg=-5.01!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl -159:sc= -0.858 (180deg=-2.05!) USER MOD Single : A 51 LYS NZ :NH3+ -108:sc= -1.79 (180deg=-4.34!) USER MOD Single : A 54 MET CE :methyl 159:sc= -1.36 (180deg=-2.43) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 104 N LYS A 8 -5.393 3.353 -4.575 1.00 0.00 N ATOM 105 CA LYS A 8 -5.902 2.018 -4.248 1.00 0.00 C ATOM 106 C LYS A 8 -6.026 1.853 -2.740 1.00 0.00 C ATOM 107 O LYS A 8 -5.226 2.400 -1.979 1.00 0.00 O ATOM 108 CB LYS A 8 -4.948 0.951 -4.802 1.00 0.00 C ATOM 109 CG LYS A 8 -5.565 -0.472 -4.656 1.00 0.00 C ATOM 110 CD LYS A 8 -5.444 -1.251 -5.979 1.00 0.00 C ATOM 111 CE LYS A 8 -6.536 -0.796 -6.954 1.00 0.00 C ATOM 112 NZ LYS A 8 -6.476 -1.631 -8.187 1.00 0.00 N ATOM 0 HA LYS A 8 -6.887 1.899 -4.699 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.737 1.155 -5.852 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.997 0.996 -4.271 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -5.056 -1.015 -3.860 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.613 -0.392 -4.369 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.460 -1.087 -6.419 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.535 -2.321 -5.791 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -7.517 -0.887 -6.487 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -6.399 0.256 -7.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -7.216 -1.324 -8.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -5.543 -1.523 -8.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -6.627 -2.629 -7.938 1.00 0.00 H new ATOM 126 N THR A 9 -7.029 1.095 -2.309 1.00 0.00 N ATOM 127 CA THR A 9 -7.244 0.865 -0.882 1.00 0.00 C ATOM 128 C THR A 9 -7.974 -0.453 -0.651 1.00 0.00 C ATOM 129 O THR A 9 -9.154 -0.584 -0.972 1.00 0.00 O ATOM 130 CB THR A 9 -8.063 2.013 -0.289 1.00 0.00 C ATOM 131 OG1 THR A 9 -7.485 3.253 -0.671 1.00 0.00 O ATOM 132 CG2 THR A 9 -8.074 1.899 1.236 1.00 0.00 C ATOM 0 H THR A 9 -7.702 0.632 -2.920 1.00 0.00 H new ATOM 0 HA THR A 9 -6.272 0.817 -0.392 1.00 0.00 H new ATOM 0 HB THR A 9 -9.086 1.960 -0.662 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.010 3.989 -0.293 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.658 2.717 1.658 1.00 0.00 H new ATOM 0 HG22 THR A 9 -8.520 0.948 1.527 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.052 1.951 1.612 1.00 0.00 H new ATOM 140 N TYR A 10 -7.265 -1.426 -0.078 1.00 0.00 N ATOM 141 CA TYR A 10 -7.852 -2.736 0.212 1.00 0.00 C ATOM 142 C TYR A 10 -8.164 -2.848 1.702 1.00 0.00 C ATOM 143 O TYR A 10 -7.259 -2.827 2.536 1.00 0.00 O ATOM 144 CB TYR A 10 -6.880 -3.858 -0.188 1.00 0.00 C ATOM 145 CG TYR A 10 -6.814 -3.999 -1.699 1.00 0.00 C ATOM 146 CD1 TYR A 10 -7.966 -4.329 -2.429 1.00 0.00 C ATOM 147 CD2 TYR A 10 -5.595 -3.809 -2.372 1.00 0.00 C ATOM 148 CE1 TYR A 10 -7.899 -4.465 -3.821 1.00 0.00 C ATOM 149 CE2 TYR A 10 -5.532 -3.946 -3.763 1.00 0.00 C ATOM 150 CZ TYR A 10 -6.685 -4.273 -4.487 1.00 0.00 C ATOM 151 OH TYR A 10 -6.620 -4.408 -5.860 1.00 0.00 O ATOM 0 H TYR A 10 -6.286 -1.333 0.194 1.00 0.00 H new ATOM 0 HA TYR A 10 -8.772 -2.837 -0.363 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.887 -3.643 0.206 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -7.202 -4.800 0.256 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -8.905 -4.478 -1.917 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.705 -3.557 -1.814 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -8.787 -4.719 -4.381 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -4.594 -3.800 -4.278 1.00 0.00 H new ATOM 0 HH TYR A 10 -7.484 -4.164 -6.254 1.00 0.00 H new ATOM 161 N ASP A 11 -9.447 -2.962 2.031 1.00 0.00 N ATOM 162 CA ASP A 11 -9.861 -3.069 3.426 1.00 0.00 C ATOM 163 C ASP A 11 -9.516 -4.442 3.992 1.00 0.00 C ATOM 164 O ASP A 11 -10.293 -5.387 3.872 1.00 0.00 O ATOM 165 CB ASP A 11 -11.365 -2.835 3.542 1.00 0.00 C ATOM 166 CG ASP A 11 -11.688 -1.366 3.284 1.00 0.00 C ATOM 167 OD1 ASP A 11 -11.588 -0.586 4.217 1.00 0.00 O ATOM 168 OD2 ASP A 11 -12.030 -1.045 2.159 1.00 0.00 O ATOM 0 H ASP A 11 -10.212 -2.983 1.357 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.326 -2.311 3.998 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.895 -3.463 2.826 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.710 -3.122 4.535 1.00 0.00 H new ATOM 173 N LEU A 12 -8.348 -4.536 4.616 1.00 0.00 N ATOM 174 CA LEU A 12 -7.893 -5.791 5.209 1.00 0.00 C ATOM 175 C LEU A 12 -8.744 -6.137 6.432 1.00 0.00 C ATOM 176 O LEU A 12 -9.402 -5.273 7.011 1.00 0.00 O ATOM 177 CB LEU A 12 -6.400 -5.654 5.606 1.00 0.00 C ATOM 178 CG LEU A 12 -5.484 -6.463 4.654 1.00 0.00 C ATOM 179 CD1 LEU A 12 -5.802 -6.143 3.178 1.00 0.00 C ATOM 180 CD2 LEU A 12 -4.005 -6.132 4.957 1.00 0.00 C ATOM 0 H LEU A 12 -7.697 -3.758 4.725 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.999 -6.597 4.483 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.111 -4.603 5.585 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.261 -6.002 6.630 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.664 -7.525 4.818 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.145 -6.724 2.530 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.840 -6.399 2.966 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.646 -5.080 2.994 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.360 -6.701 4.287 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.833 -5.066 4.808 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.778 -6.395 5.990 1.00 0.00 H new ATOM 192 N GLN A 13 -8.718 -7.410 6.819 1.00 0.00 N ATOM 193 CA GLN A 13 -9.482 -7.865 7.973 1.00 0.00 C ATOM 194 C GLN A 13 -8.763 -7.501 9.267 1.00 0.00 C ATOM 195 O GLN A 13 -9.359 -7.505 10.344 1.00 0.00 O ATOM 196 CB GLN A 13 -9.680 -9.380 7.905 1.00 0.00 C ATOM 197 CG GLN A 13 -10.684 -9.714 6.799 1.00 0.00 C ATOM 198 CD GLN A 13 -10.813 -11.226 6.652 1.00 0.00 C ATOM 199 OE1 GLN A 13 -11.920 -11.744 6.509 1.00 0.00 O ATOM 200 NE2 GLN A 13 -9.740 -11.968 6.677 1.00 0.00 N ATOM 0 H GLN A 13 -8.179 -8.139 6.352 1.00 0.00 H new ATOM 0 HA GLN A 13 -10.454 -7.372 7.959 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.728 -9.873 7.708 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -10.041 -9.754 8.863 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -11.655 -9.279 7.035 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.358 -9.275 5.856 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -8.824 -11.536 6.796 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -9.817 -12.980 6.578 1.00 0.00 H new ATOM 209 N ASP A 14 -7.474 -7.187 9.154 1.00 0.00 N ATOM 210 CA ASP A 14 -6.678 -6.823 10.322 1.00 0.00 C ATOM 211 C ASP A 14 -6.884 -5.354 10.671 1.00 0.00 C ATOM 212 O ASP A 14 -6.110 -4.771 11.430 1.00 0.00 O ATOM 213 CB ASP A 14 -5.197 -7.078 10.040 1.00 0.00 C ATOM 214 CG ASP A 14 -4.969 -8.556 9.737 1.00 0.00 C ATOM 215 OD1 ASP A 14 -5.218 -8.954 8.611 1.00 0.00 O ATOM 216 OD2 ASP A 14 -4.550 -9.267 10.636 1.00 0.00 O ATOM 0 H ASP A 14 -6.962 -7.177 8.272 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.999 -7.434 11.165 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.869 -6.471 9.196 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -4.598 -6.778 10.900 1.00 0.00 H new ATOM 221 N GLY A 15 -7.932 -4.758 10.110 1.00 0.00 N ATOM 222 CA GLY A 15 -8.229 -3.356 10.369 1.00 0.00 C ATOM 223 C GLY A 15 -7.292 -2.450 9.579 1.00 0.00 C ATOM 224 O GLY A 15 -7.513 -1.243 9.482 1.00 0.00 O ATOM 0 H GLY A 15 -8.585 -5.221 9.478 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.263 -3.142 10.098 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.130 -3.149 11.435 1.00 0.00 H new ATOM 228 N SER A 16 -6.244 -3.043 9.016 1.00 0.00 N ATOM 229 CA SER A 16 -5.276 -2.281 8.234 1.00 0.00 C ATOM 230 C SER A 16 -5.829 -1.981 6.846 1.00 0.00 C ATOM 231 O SER A 16 -6.962 -2.342 6.525 1.00 0.00 O ATOM 232 CB SER A 16 -3.972 -3.068 8.108 1.00 0.00 C ATOM 233 OG SER A 16 -3.609 -3.581 9.383 1.00 0.00 O ATOM 0 H SER A 16 -6.044 -4.041 9.085 1.00 0.00 H new ATOM 0 HA SER A 16 -5.082 -1.339 8.747 1.00 0.00 H new ATOM 0 HB2 SER A 16 -4.094 -3.884 7.396 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.181 -2.424 7.723 1.00 0.00 H new ATOM 0 HG SER A 16 -2.774 -4.088 9.306 1.00 0.00 H new ATOM 239 N LYS A 17 -5.019 -1.318 6.023 1.00 0.00 N ATOM 240 CA LYS A 17 -5.430 -0.971 4.664 1.00 0.00 C ATOM 241 C LYS A 17 -4.212 -0.875 3.758 1.00 0.00 C ATOM 242 O LYS A 17 -3.283 -0.114 4.031 1.00 0.00 O ATOM 243 CB LYS A 17 -6.170 0.369 4.664 1.00 0.00 C ATOM 244 CG LYS A 17 -7.516 0.216 5.376 1.00 0.00 C ATOM 245 CD LYS A 17 -8.370 1.465 5.135 1.00 0.00 C ATOM 246 CE LYS A 17 -7.700 2.686 5.772 1.00 0.00 C ATOM 247 NZ LYS A 17 -8.706 3.772 5.940 1.00 0.00 N ATOM 0 H LYS A 17 -4.078 -1.011 6.272 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.095 -1.750 4.293 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.568 1.128 5.164 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.326 0.709 3.640 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -8.035 -0.669 5.007 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -7.359 0.071 6.445 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -8.499 1.627 4.065 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -9.365 1.323 5.558 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.274 2.418 6.739 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.877 3.031 5.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.252 4.602 6.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.093 4.034 5.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.477 3.439 6.554 1.00 0.00 H new ATOM 261 N VAL A 18 -4.217 -1.651 2.679 1.00 0.00 N ATOM 262 CA VAL A 18 -3.096 -1.638 1.744 1.00 0.00 C ATOM 263 C VAL A 18 -3.189 -0.413 0.831 1.00 0.00 C ATOM 264 O VAL A 18 -4.275 0.097 0.565 1.00 0.00 O ATOM 265 CB VAL A 18 -3.080 -2.914 0.877 1.00 0.00 C ATOM 266 CG1 VAL A 18 -1.654 -3.187 0.385 1.00 0.00 C ATOM 267 CG2 VAL A 18 -3.572 -4.130 1.674 1.00 0.00 C ATOM 0 H VAL A 18 -4.973 -2.289 2.432 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.176 -1.598 2.327 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.747 -2.754 0.030 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.647 -4.089 -0.227 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.306 -2.342 -0.210 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.994 -3.324 1.241 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.550 -5.015 1.038 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.924 -4.287 2.536 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.592 -3.953 2.015 1.00 0.00 H new ATOM 277 N HIS A 19 -2.038 0.043 0.345 1.00 0.00 N ATOM 278 CA HIS A 19 -1.979 1.197 -0.553 1.00 0.00 C ATOM 279 C HIS A 19 -0.890 0.960 -1.603 1.00 0.00 C ATOM 280 O HIS A 19 0.284 0.835 -1.262 1.00 0.00 O ATOM 281 CB HIS A 19 -1.695 2.468 0.282 1.00 0.00 C ATOM 282 CG HIS A 19 -0.915 3.486 -0.513 1.00 0.00 C ATOM 283 ND1 HIS A 19 -1.530 4.433 -1.315 1.00 0.00 N ATOM 284 CD2 HIS A 19 0.433 3.709 -0.632 1.00 0.00 C ATOM 285 CE1 HIS A 19 -0.559 5.178 -1.878 1.00 0.00 C ATOM 286 NE2 HIS A 19 0.657 4.778 -1.495 1.00 0.00 N ATOM 0 H HIS A 19 -1.130 -0.369 0.558 1.00 0.00 H new ATOM 0 HA HIS A 19 -2.928 1.332 -1.072 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -2.637 2.906 0.612 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -1.137 2.199 1.179 1.00 0.00 H new ATOM 0 HD2 HIS A 19 1.204 3.141 -0.132 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -0.741 5.999 -2.556 1.00 0.00 H new ATOM 0 HE2 HIS A 19 1.556 5.171 -1.775 1.00 0.00 H new ATOM 295 N VAL A 20 -1.277 0.888 -2.882 1.00 0.00 N ATOM 296 CA VAL A 20 -0.297 0.651 -3.949 1.00 0.00 C ATOM 297 C VAL A 20 0.146 1.967 -4.591 1.00 0.00 C ATOM 298 O VAL A 20 -0.629 2.919 -4.685 1.00 0.00 O ATOM 299 CB VAL A 20 -0.874 -0.321 -5.017 1.00 0.00 C ATOM 300 CG1 VAL A 20 -1.831 -1.343 -4.356 1.00 0.00 C ATOM 301 CG2 VAL A 20 -1.622 0.463 -6.113 1.00 0.00 C ATOM 0 H VAL A 20 -2.241 0.988 -3.200 1.00 0.00 H new ATOM 0 HA VAL A 20 0.582 0.185 -3.503 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.043 -0.858 -5.474 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.226 -2.016 -5.117 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.287 -1.920 -3.608 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.654 -0.813 -3.877 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.019 -0.233 -6.852 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.443 1.023 -5.664 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.934 1.155 -6.599 1.00 0.00 H new ATOM 311 N PHE A 21 1.402 2.002 -5.027 1.00 0.00 N ATOM 312 CA PHE A 21 1.959 3.195 -5.660 1.00 0.00 C ATOM 313 C PHE A 21 1.668 3.194 -7.157 1.00 0.00 C ATOM 314 O PHE A 21 0.845 2.415 -7.639 1.00 0.00 O ATOM 315 CB PHE A 21 3.472 3.236 -5.438 1.00 0.00 C ATOM 316 CG PHE A 21 3.763 3.413 -3.969 1.00 0.00 C ATOM 317 CD1 PHE A 21 3.752 2.304 -3.114 1.00 0.00 C ATOM 318 CD2 PHE A 21 4.042 4.687 -3.459 1.00 0.00 C ATOM 319 CE1 PHE A 21 4.023 2.467 -1.751 1.00 0.00 C ATOM 320 CE2 PHE A 21 4.313 4.850 -2.094 1.00 0.00 C ATOM 321 CZ PHE A 21 4.303 3.742 -1.241 1.00 0.00 C ATOM 0 H PHE A 21 2.053 1.220 -4.954 1.00 0.00 H new ATOM 0 HA PHE A 21 1.495 4.074 -5.212 1.00 0.00 H new ATOM 0 HB2 PHE A 21 3.928 2.315 -5.801 1.00 0.00 H new ATOM 0 HB3 PHE A 21 3.911 4.055 -6.007 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.534 1.322 -3.507 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.048 5.543 -4.117 1.00 0.00 H new ATOM 0 HE1 PHE A 21 4.016 1.611 -1.093 1.00 0.00 H new ATOM 0 HE2 PHE A 21 4.530 5.832 -1.700 1.00 0.00 H new ATOM 0 HZ PHE A 21 4.511 3.869 -0.189 1.00 0.00 H new ATOM 331 N LYS A 22 2.352 4.069 -7.886 1.00 0.00 N ATOM 332 CA LYS A 22 2.163 4.160 -9.328 1.00 0.00 C ATOM 333 C LYS A 22 2.889 3.018 -10.032 1.00 0.00 C ATOM 334 O LYS A 22 2.569 2.672 -11.170 1.00 0.00 O ATOM 335 CB LYS A 22 2.695 5.500 -9.842 1.00 0.00 C ATOM 336 CG LYS A 22 1.893 6.643 -9.215 1.00 0.00 C ATOM 337 CD LYS A 22 2.642 7.965 -9.413 1.00 0.00 C ATOM 338 CE LYS A 22 2.723 8.291 -10.905 1.00 0.00 C ATOM 339 NZ LYS A 22 3.098 9.723 -11.080 1.00 0.00 N ATOM 0 H LYS A 22 3.038 4.721 -7.505 1.00 0.00 H new ATOM 0 HA LYS A 22 1.097 4.088 -9.543 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.751 5.604 -9.593 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.618 5.541 -10.929 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.905 6.701 -9.672 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.742 6.455 -8.152 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.130 8.768 -8.882 1.00 0.00 H new ATOM 0 HD3 LYS A 22 3.645 7.893 -8.991 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.459 7.649 -11.389 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.764 8.094 -11.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.153 9.946 -12.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.380 10.327 -10.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.023 9.896 -10.636 1.00 0.00 H new ATOM 353 N ASP A 23 3.870 2.436 -9.348 1.00 0.00 N ATOM 354 CA ASP A 23 4.635 1.333 -9.915 1.00 0.00 C ATOM 355 C ASP A 23 3.835 0.037 -9.843 1.00 0.00 C ATOM 356 O ASP A 23 4.302 -1.018 -10.272 1.00 0.00 O ATOM 357 CB ASP A 23 5.951 1.166 -9.154 1.00 0.00 C ATOM 358 CG ASP A 23 6.789 0.066 -9.799 1.00 0.00 C ATOM 359 OD1 ASP A 23 7.243 0.270 -10.914 1.00 0.00 O ATOM 360 OD2 ASP A 23 6.966 -0.962 -9.169 1.00 0.00 O ATOM 0 H ASP A 23 4.152 2.709 -8.406 1.00 0.00 H new ATOM 0 HA ASP A 23 4.847 1.559 -10.960 1.00 0.00 H new ATOM 0 HB2 ASP A 23 6.504 2.105 -9.157 1.00 0.00 H new ATOM 0 HB3 ASP A 23 5.749 0.918 -8.112 1.00 0.00 H new ATOM 365 N GLY A 24 2.625 0.125 -9.298 1.00 0.00 N ATOM 366 CA GLY A 24 1.761 -1.044 -9.173 1.00 0.00 C ATOM 367 C GLY A 24 2.078 -1.829 -7.905 1.00 0.00 C ATOM 368 O GLY A 24 1.286 -2.663 -7.467 1.00 0.00 O ATOM 0 H GLY A 24 2.222 0.990 -8.937 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.718 -0.729 -9.158 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.887 -1.688 -10.044 1.00 0.00 H new ATOM 372 N LYS A 25 3.237 -1.555 -7.313 1.00 0.00 N ATOM 373 CA LYS A 25 3.632 -2.245 -6.088 1.00 0.00 C ATOM 374 C LYS A 25 2.657 -1.888 -4.971 1.00 0.00 C ATOM 375 O LYS A 25 2.176 -0.761 -4.904 1.00 0.00 O ATOM 376 CB LYS A 25 5.054 -1.804 -5.712 1.00 0.00 C ATOM 377 CG LYS A 25 6.072 -2.432 -6.685 1.00 0.00 C ATOM 378 CD LYS A 25 6.504 -3.828 -6.194 1.00 0.00 C ATOM 379 CE LYS A 25 7.674 -3.700 -5.211 1.00 0.00 C ATOM 380 NZ LYS A 25 7.840 -4.980 -4.465 1.00 0.00 N ATOM 0 H LYS A 25 3.911 -0.870 -7.655 1.00 0.00 H new ATOM 0 HA LYS A 25 3.614 -3.324 -6.238 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.128 -0.717 -5.746 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.280 -2.107 -4.690 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.632 -2.511 -7.679 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.945 -1.786 -6.773 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.665 -4.328 -5.710 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.797 -4.446 -7.042 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.591 -3.459 -5.750 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.490 -2.882 -4.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.994 -4.777 -3.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.983 -5.559 -4.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.659 -5.498 -4.842 1.00 0.00 H new ATOM 394 N MET A 26 2.375 -2.850 -4.098 1.00 0.00 N ATOM 395 CA MET A 26 1.451 -2.622 -2.988 1.00 0.00 C ATOM 396 C MET A 26 2.144 -1.844 -1.872 1.00 0.00 C ATOM 397 O MET A 26 3.282 -1.402 -2.019 1.00 0.00 O ATOM 398 CB MET A 26 0.921 -3.972 -2.453 1.00 0.00 C ATOM 399 CG MET A 26 -0.444 -4.276 -3.077 1.00 0.00 C ATOM 400 SD MET A 26 -0.909 -5.992 -2.715 1.00 0.00 S ATOM 401 CE MET A 26 -1.068 -6.575 -4.423 1.00 0.00 C ATOM 0 H MET A 26 2.769 -3.790 -4.135 1.00 0.00 H new ATOM 0 HA MET A 26 0.608 -2.032 -3.349 1.00 0.00 H new ATOM 0 HB2 MET A 26 1.625 -4.769 -2.690 1.00 0.00 H new ATOM 0 HB3 MET A 26 0.835 -3.935 -1.367 1.00 0.00 H new ATOM 0 HG2 MET A 26 -1.196 -3.593 -2.682 1.00 0.00 H new ATOM 0 HG3 MET A 26 -0.406 -4.118 -4.155 1.00 0.00 H new ATOM 0 HE1 MET A 26 -1.353 -7.627 -4.423 1.00 0.00 H new ATOM 0 HE2 MET A 26 -1.832 -5.992 -4.937 1.00 0.00 H new ATOM 0 HE3 MET A 26 -0.114 -6.457 -4.938 1.00 0.00 H new ATOM 411 N GLY A 27 1.447 -1.687 -0.753 1.00 0.00 N ATOM 412 CA GLY A 27 2.005 -0.967 0.388 1.00 0.00 C ATOM 413 C GLY A 27 1.246 -1.306 1.660 1.00 0.00 C ATOM 414 O GLY A 27 0.035 -1.121 1.737 1.00 0.00 O ATOM 0 H GLY A 27 0.502 -2.045 -0.610 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.058 -1.224 0.507 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.958 0.107 0.205 1.00 0.00 H new ATOM 418 N MET A 28 1.964 -1.816 2.652 1.00 0.00 N ATOM 419 CA MET A 28 1.348 -2.195 3.920 1.00 0.00 C ATOM 420 C MET A 28 1.301 -1.010 4.880 1.00 0.00 C ATOM 421 O MET A 28 2.139 -0.890 5.775 1.00 0.00 O ATOM 422 CB MET A 28 2.150 -3.336 4.546 1.00 0.00 C ATOM 423 CG MET A 28 1.344 -3.988 5.668 1.00 0.00 C ATOM 424 SD MET A 28 -0.117 -4.836 5.000 1.00 0.00 S ATOM 425 CE MET A 28 -1.203 -4.575 6.424 1.00 0.00 C ATOM 0 H MET A 28 2.970 -1.977 2.605 1.00 0.00 H new ATOM 0 HA MET A 28 0.325 -2.519 3.730 1.00 0.00 H new ATOM 0 HB2 MET A 28 2.397 -4.078 3.786 1.00 0.00 H new ATOM 0 HB3 MET A 28 3.093 -2.956 4.938 1.00 0.00 H new ATOM 0 HG2 MET A 28 1.970 -4.700 6.206 1.00 0.00 H new ATOM 0 HG3 MET A 28 1.034 -3.230 6.387 1.00 0.00 H new ATOM 0 HE1 MET A 28 -1.725 -5.503 6.659 1.00 0.00 H new ATOM 0 HE2 MET A 28 -0.608 -4.266 7.283 1.00 0.00 H new ATOM 0 HE3 MET A 28 -1.931 -3.799 6.189 1.00 0.00 H new ATOM 435 N GLU A 29 0.308 -0.137 4.694 1.00 0.00 N ATOM 436 CA GLU A 29 0.146 1.041 5.551 1.00 0.00 C ATOM 437 C GLU A 29 -1.043 0.856 6.489 1.00 0.00 C ATOM 438 O GLU A 29 -2.193 0.833 6.049 1.00 0.00 O ATOM 439 CB GLU A 29 -0.077 2.284 4.686 1.00 0.00 C ATOM 440 CG GLU A 29 -0.148 3.523 5.581 1.00 0.00 C ATOM 441 CD GLU A 29 -0.229 4.781 4.723 1.00 0.00 C ATOM 442 OE1 GLU A 29 0.043 4.684 3.538 1.00 0.00 O ATOM 443 OE2 GLU A 29 -0.566 5.821 5.264 1.00 0.00 O ATOM 0 H GLU A 29 -0.395 -0.223 3.960 1.00 0.00 H new ATOM 0 HA GLU A 29 1.051 1.166 6.145 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.734 2.389 3.965 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.000 2.182 4.115 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.019 3.461 6.234 1.00 0.00 H new ATOM 0 HG3 GLU A 29 0.730 3.568 6.225 1.00 0.00 H new ATOM 450 N ASN A 30 -0.761 0.721 7.782 1.00 0.00 N ATOM 451 CA ASN A 30 -1.820 0.535 8.769 1.00 0.00 C ATOM 452 C ASN A 30 -2.609 1.827 8.964 1.00 0.00 C ATOM 453 O ASN A 30 -2.153 2.907 8.585 1.00 0.00 O ATOM 454 CB ASN A 30 -1.218 0.089 10.105 1.00 0.00 C ATOM 455 CG ASN A 30 -0.453 1.240 10.751 1.00 0.00 C ATOM 456 OD1 ASN A 30 -1.028 2.295 11.017 1.00 0.00 O ATOM 457 ND2 ASN A 30 0.815 1.099 11.022 1.00 0.00 N ATOM 0 H ASN A 30 0.183 0.737 8.168 1.00 0.00 H new ATOM 0 HA ASN A 30 -2.499 -0.235 8.404 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.009 -0.251 10.773 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -0.550 -0.757 9.946 1.00 0.00 H new ATOM 0 HD21 ASN A 30 1.332 1.864 11.455 1.00 0.00 H new ATOM 0 HD22 ASN A 30 1.290 0.224 10.801 1.00 0.00 H new ATOM 464 N LYS A 31 -3.793 1.709 9.560 1.00 0.00 N ATOM 465 CA LYS A 31 -4.644 2.873 9.805 1.00 0.00 C ATOM 466 C LYS A 31 -4.258 3.558 11.114 1.00 0.00 C ATOM 467 O LYS A 31 -4.882 4.539 11.518 1.00 0.00 O ATOM 468 CB LYS A 31 -6.124 2.448 9.837 1.00 0.00 C ATOM 469 CG LYS A 31 -6.492 1.792 11.182 1.00 0.00 C ATOM 470 CD LYS A 31 -5.536 0.636 11.484 1.00 0.00 C ATOM 471 CE LYS A 31 -6.065 -0.163 12.676 1.00 0.00 C ATOM 472 NZ LYS A 31 -6.146 0.724 13.871 1.00 0.00 N ATOM 0 H LYS A 31 -4.185 0.824 9.881 1.00 0.00 H new ATOM 0 HA LYS A 31 -4.500 3.585 8.993 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.758 3.319 9.670 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.321 1.749 9.024 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.444 2.532 11.981 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.518 1.426 11.148 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.443 -0.011 10.611 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.540 1.021 11.703 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.049 -0.572 12.446 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.408 -1.009 12.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.256 0.144 14.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.275 1.288 13.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.963 1.360 13.776 1.00 0.00 H new ATOM 486 N PHE A 32 -3.235 3.029 11.777 1.00 0.00 N ATOM 487 CA PHE A 32 -2.787 3.593 13.047 1.00 0.00 C ATOM 488 C PHE A 32 -1.904 4.817 12.812 1.00 0.00 C ATOM 489 O PHE A 32 -1.302 5.347 13.745 1.00 0.00 O ATOM 490 CB PHE A 32 -2.011 2.529 13.840 1.00 0.00 C ATOM 491 CG PHE A 32 -2.047 2.858 15.318 1.00 0.00 C ATOM 492 CD1 PHE A 32 -3.261 2.795 16.012 1.00 0.00 C ATOM 493 CD2 PHE A 32 -0.873 3.223 15.990 1.00 0.00 C ATOM 494 CE1 PHE A 32 -3.302 3.098 17.378 1.00 0.00 C ATOM 495 CE2 PHE A 32 -0.914 3.525 17.357 1.00 0.00 C ATOM 496 CZ PHE A 32 -2.129 3.463 18.050 1.00 0.00 C ATOM 0 H PHE A 32 -2.704 2.218 11.460 1.00 0.00 H new ATOM 0 HA PHE A 32 -3.661 3.905 13.619 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.447 1.545 13.667 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.978 2.486 13.493 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -4.166 2.513 15.494 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.063 3.271 15.454 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -4.239 3.050 17.914 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -0.009 3.805 17.876 1.00 0.00 H new ATOM 0 HZ PHE A 32 -2.162 3.697 19.104 1.00 0.00 H new ATOM 506 N GLY A 33 -1.834 5.259 11.560 1.00 0.00 N ATOM 507 CA GLY A 33 -1.022 6.423 11.216 1.00 0.00 C ATOM 508 C GLY A 33 0.443 6.035 11.054 1.00 0.00 C ATOM 509 O GLY A 33 1.324 6.895 11.022 1.00 0.00 O ATOM 0 H GLY A 33 -2.324 4.834 10.773 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.389 6.867 10.291 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.118 7.181 11.993 1.00 0.00 H new ATOM 513 N LYS A 34 0.697 4.732 10.946 1.00 0.00 N ATOM 514 CA LYS A 34 2.060 4.223 10.782 1.00 0.00 C ATOM 515 C LYS A 34 2.080 3.092 9.761 1.00 0.00 C ATOM 516 O LYS A 34 1.045 2.734 9.198 1.00 0.00 O ATOM 517 CB LYS A 34 2.593 3.714 12.126 1.00 0.00 C ATOM 518 CG LYS A 34 2.949 4.902 13.023 1.00 0.00 C ATOM 519 CD LYS A 34 3.117 4.424 14.469 1.00 0.00 C ATOM 520 CE LYS A 34 4.304 3.460 14.566 1.00 0.00 C ATOM 521 NZ LYS A 34 3.884 2.105 14.106 1.00 0.00 N ATOM 0 H LYS A 34 -0.022 4.009 10.969 1.00 0.00 H new ATOM 0 HA LYS A 34 2.696 5.034 10.426 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.843 3.090 12.613 1.00 0.00 H new ATOM 0 HB3 LYS A 34 3.472 3.090 11.967 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.870 5.370 12.675 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.167 5.659 12.968 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.276 5.278 15.127 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.206 3.928 14.805 1.00 0.00 H new ATOM 0 HE2 LYS A 34 5.131 3.823 13.956 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.664 3.411 15.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.226 1.389 14.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.846 2.063 14.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.287 1.917 13.166 1.00 0.00 H new ATOM 535 N SER A 35 3.266 2.533 9.520 1.00 0.00 N ATOM 536 CA SER A 35 3.419 1.439 8.557 1.00 0.00 C ATOM 537 C SER A 35 3.643 0.113 9.275 1.00 0.00 C ATOM 538 O SER A 35 3.853 0.076 10.487 1.00 0.00 O ATOM 539 CB SER A 35 4.607 1.725 7.639 1.00 0.00 C ATOM 540 OG SER A 35 4.454 3.016 7.060 1.00 0.00 O ATOM 0 H SER A 35 4.133 2.818 9.976 1.00 0.00 H new ATOM 0 HA SER A 35 2.504 1.368 7.968 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.538 1.675 8.204 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.668 0.968 6.857 1.00 0.00 H new ATOM 0 HG SER A 35 5.215 3.203 6.472 1.00 0.00 H new ATOM 546 N MET A 36 3.605 -0.976 8.509 1.00 0.00 N ATOM 547 CA MET A 36 3.810 -2.316 9.059 1.00 0.00 C ATOM 548 C MET A 36 4.610 -3.160 8.071 1.00 0.00 C ATOM 549 O MET A 36 4.141 -3.468 6.977 1.00 0.00 O ATOM 550 CB MET A 36 2.455 -2.982 9.337 1.00 0.00 C ATOM 551 CG MET A 36 1.878 -2.452 10.653 1.00 0.00 C ATOM 552 SD MET A 36 2.746 -3.224 12.043 1.00 0.00 S ATOM 553 CE MET A 36 1.803 -2.426 13.368 1.00 0.00 C ATOM 0 H MET A 36 3.434 -0.957 7.504 1.00 0.00 H new ATOM 0 HA MET A 36 4.364 -2.237 9.995 1.00 0.00 H new ATOM 0 HB2 MET A 36 1.765 -2.779 8.518 1.00 0.00 H new ATOM 0 HB3 MET A 36 2.575 -4.064 9.391 1.00 0.00 H new ATOM 0 HG2 MET A 36 1.985 -1.368 10.700 1.00 0.00 H new ATOM 0 HG3 MET A 36 0.811 -2.670 10.709 1.00 0.00 H new ATOM 0 HE1 MET A 36 2.177 -2.764 14.335 1.00 0.00 H new ATOM 0 HE2 MET A 36 1.915 -1.344 13.293 1.00 0.00 H new ATOM 0 HE3 MET A 36 0.749 -2.689 13.274 1.00 0.00 H new ATOM 563 N ASN A 37 5.828 -3.517 8.463 1.00 0.00 N ATOM 564 CA ASN A 37 6.697 -4.309 7.600 1.00 0.00 C ATOM 565 C ASN A 37 6.165 -5.730 7.428 1.00 0.00 C ATOM 566 O ASN A 37 6.449 -6.612 8.237 1.00 0.00 O ATOM 567 CB ASN A 37 8.111 -4.359 8.191 1.00 0.00 C ATOM 568 CG ASN A 37 8.993 -5.304 7.378 1.00 0.00 C ATOM 569 OD1 ASN A 37 10.113 -5.611 7.784 1.00 0.00 O ATOM 570 ND2 ASN A 37 8.551 -5.788 6.249 1.00 0.00 N ATOM 0 H ASN A 37 6.234 -3.273 9.366 1.00 0.00 H new ATOM 0 HA ASN A 37 6.722 -3.833 6.620 1.00 0.00 H new ATOM 0 HB2 ASN A 37 8.546 -3.359 8.196 1.00 0.00 H new ATOM 0 HB3 ASN A 37 8.067 -4.693 9.228 1.00 0.00 H new ATOM 0 HD21 ASN A 37 9.134 -6.421 5.702 1.00 0.00 H new ATOM 0 HD22 ASN A 37 7.622 -5.533 5.913 1.00 0.00 H new ATOM 577 N MET A 38 5.413 -5.948 6.348 1.00 0.00 N ATOM 578 CA MET A 38 4.866 -7.273 6.047 1.00 0.00 C ATOM 579 C MET A 38 5.706 -7.912 4.926 1.00 0.00 C ATOM 580 O MET A 38 5.877 -7.297 3.874 1.00 0.00 O ATOM 581 CB MET A 38 3.401 -7.143 5.596 1.00 0.00 C ATOM 582 CG MET A 38 2.874 -8.510 5.158 1.00 0.00 C ATOM 583 SD MET A 38 1.092 -8.442 4.822 1.00 0.00 S ATOM 584 CE MET A 38 0.482 -8.667 6.509 1.00 0.00 C ATOM 0 H MET A 38 5.169 -5.227 5.669 1.00 0.00 H new ATOM 0 HA MET A 38 4.902 -7.900 6.938 1.00 0.00 H new ATOM 0 HB2 MET A 38 2.793 -6.752 6.412 1.00 0.00 H new ATOM 0 HB3 MET A 38 3.325 -6.432 4.773 1.00 0.00 H new ATOM 0 HG2 MET A 38 3.404 -8.839 4.264 1.00 0.00 H new ATOM 0 HG3 MET A 38 3.073 -9.247 5.936 1.00 0.00 H new ATOM 0 HE1 MET A 38 -0.608 -8.653 6.507 1.00 0.00 H new ATOM 0 HE2 MET A 38 0.832 -9.623 6.898 1.00 0.00 H new ATOM 0 HE3 MET A 38 0.854 -7.860 7.141 1.00 0.00 H new ATOM 594 N PRO A 39 6.246 -9.103 5.107 1.00 0.00 N ATOM 595 CA PRO A 39 7.084 -9.750 4.052 1.00 0.00 C ATOM 596 C PRO A 39 6.246 -10.214 2.861 1.00 0.00 C ATOM 597 O PRO A 39 5.035 -10.406 2.975 1.00 0.00 O ATOM 598 CB PRO A 39 7.738 -10.934 4.780 1.00 0.00 C ATOM 599 CG PRO A 39 6.789 -11.279 5.880 1.00 0.00 C ATOM 600 CD PRO A 39 6.130 -9.962 6.304 1.00 0.00 C ATOM 0 HA PRO A 39 7.815 -9.064 3.624 1.00 0.00 H new ATOM 0 HB2 PRO A 39 7.887 -11.778 4.107 1.00 0.00 H new ATOM 0 HB3 PRO A 39 8.718 -10.664 5.174 1.00 0.00 H new ATOM 0 HG2 PRO A 39 6.042 -11.996 5.539 1.00 0.00 H new ATOM 0 HG3 PRO A 39 7.314 -11.739 6.717 1.00 0.00 H new ATOM 0 HD2 PRO A 39 5.089 -10.110 6.589 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.636 -9.521 7.163 1.00 0.00 H new ATOM 608 N GLU A 40 6.902 -10.381 1.718 1.00 0.00 N ATOM 609 CA GLU A 40 6.215 -10.812 0.510 1.00 0.00 C ATOM 610 C GLU A 40 5.779 -12.268 0.622 1.00 0.00 C ATOM 611 O GLU A 40 6.603 -13.180 0.570 1.00 0.00 O ATOM 612 CB GLU A 40 7.138 -10.639 -0.699 1.00 0.00 C ATOM 613 CG GLU A 40 6.457 -11.197 -1.951 1.00 0.00 C ATOM 614 CD GLU A 40 7.215 -10.756 -3.197 1.00 0.00 C ATOM 615 OE1 GLU A 40 7.870 -9.727 -3.138 1.00 0.00 O ATOM 616 OE2 GLU A 40 7.133 -11.454 -4.194 1.00 0.00 O ATOM 0 H GLU A 40 7.904 -10.225 1.604 1.00 0.00 H new ATOM 0 HA GLU A 40 5.325 -10.196 0.381 1.00 0.00 H new ATOM 0 HB2 GLU A 40 7.374 -9.584 -0.841 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.082 -11.156 -0.525 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.423 -12.285 -1.902 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.426 -10.848 -2.000 1.00 0.00 H new ATOM 623 N GLY A 41 4.470 -12.478 0.773 1.00 0.00 N ATOM 624 CA GLY A 41 3.922 -13.829 0.887 1.00 0.00 C ATOM 625 C GLY A 41 2.800 -13.880 1.917 1.00 0.00 C ATOM 626 O GLY A 41 1.990 -14.806 1.919 1.00 0.00 O ATOM 0 H GLY A 41 3.774 -11.734 0.819 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.545 -14.155 -0.082 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.713 -14.523 1.171 1.00 0.00 H new ATOM 630 N LYS A 42 2.757 -12.882 2.794 1.00 0.00 N ATOM 631 CA LYS A 42 1.723 -12.837 3.820 1.00 0.00 C ATOM 632 C LYS A 42 0.380 -12.484 3.191 1.00 0.00 C ATOM 633 O LYS A 42 -0.094 -11.353 3.287 1.00 0.00 O ATOM 634 CB LYS A 42 2.106 -11.811 4.908 1.00 0.00 C ATOM 635 CG LYS A 42 2.865 -12.504 6.062 1.00 0.00 C ATOM 636 CD LYS A 42 1.868 -13.042 7.095 1.00 0.00 C ATOM 637 CE LYS A 42 2.553 -14.093 7.974 1.00 0.00 C ATOM 638 NZ LYS A 42 1.564 -14.655 8.937 1.00 0.00 N ATOM 0 H LYS A 42 3.416 -12.104 2.815 1.00 0.00 H new ATOM 0 HA LYS A 42 1.636 -13.818 4.287 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.728 -11.028 4.475 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.208 -11.329 5.294 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.472 -13.320 5.671 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.547 -11.798 6.536 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.493 -12.226 7.712 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.007 -13.481 6.590 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.965 -14.889 7.354 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.387 -13.644 8.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.028 -15.369 9.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.191 -13.892 9.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.782 -15.097 8.413 1.00 0.00 H new ATOM 652 N VAL A 43 -0.216 -13.476 2.543 1.00 0.00 N ATOM 653 CA VAL A 43 -1.505 -13.299 1.884 1.00 0.00 C ATOM 654 C VAL A 43 -2.451 -12.468 2.743 1.00 0.00 C ATOM 655 O VAL A 43 -2.730 -12.815 3.890 1.00 0.00 O ATOM 656 CB VAL A 43 -2.136 -14.664 1.607 1.00 0.00 C ATOM 657 CG1 VAL A 43 -3.400 -14.482 0.764 1.00 0.00 C ATOM 658 CG2 VAL A 43 -1.139 -15.541 0.846 1.00 0.00 C ATOM 0 H VAL A 43 0.173 -14.415 2.459 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.337 -12.771 0.945 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.395 -15.142 2.552 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.849 -15.455 0.567 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.111 -13.857 1.304 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.142 -14.004 -0.181 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.588 -16.514 0.648 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.880 -15.062 -0.098 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.238 -15.672 1.446 1.00 0.00 H new ATOM 668 N MET A 44 -2.955 -11.374 2.173 1.00 0.00 N ATOM 669 CA MET A 44 -3.888 -10.501 2.880 1.00 0.00 C ATOM 670 C MET A 44 -5.284 -10.710 2.305 1.00 0.00 C ATOM 671 O MET A 44 -5.447 -10.839 1.092 1.00 0.00 O ATOM 672 CB MET A 44 -3.471 -9.029 2.723 1.00 0.00 C ATOM 673 CG MET A 44 -1.970 -8.857 2.976 1.00 0.00 C ATOM 674 SD MET A 44 -1.448 -7.201 2.438 1.00 0.00 S ATOM 675 CE MET A 44 -1.688 -7.420 0.656 1.00 0.00 C ATOM 0 H MET A 44 -2.732 -11.072 1.224 1.00 0.00 H new ATOM 0 HA MET A 44 -3.882 -10.746 3.942 1.00 0.00 H new ATOM 0 HB2 MET A 44 -3.717 -8.682 1.719 1.00 0.00 H new ATOM 0 HB3 MET A 44 -4.035 -8.410 3.421 1.00 0.00 H new ATOM 0 HG2 MET A 44 -1.751 -8.992 4.035 1.00 0.00 H new ATOM 0 HG3 MET A 44 -1.410 -9.620 2.435 1.00 0.00 H new ATOM 0 HE1 MET A 44 -1.093 -6.684 0.116 1.00 0.00 H new ATOM 0 HE2 MET A 44 -1.374 -8.423 0.367 1.00 0.00 H new ATOM 0 HE3 MET A 44 -2.742 -7.285 0.411 1.00 0.00 H new ATOM 685 N GLU A 45 -6.292 -10.770 3.176 1.00 0.00 N ATOM 686 CA GLU A 45 -7.673 -10.991 2.732 1.00 0.00 C ATOM 687 C GLU A 45 -8.547 -9.789 3.062 1.00 0.00 C ATOM 688 O GLU A 45 -8.659 -9.390 4.220 1.00 0.00 O ATOM 689 CB GLU A 45 -8.242 -12.232 3.421 1.00 0.00 C ATOM 690 CG GLU A 45 -9.623 -12.550 2.844 1.00 0.00 C ATOM 691 CD GLU A 45 -10.116 -13.890 3.378 1.00 0.00 C ATOM 692 OE1 GLU A 45 -9.996 -14.108 4.573 1.00 0.00 O ATOM 693 OE2 GLU A 45 -10.606 -14.678 2.587 1.00 0.00 O ATOM 0 H GLU A 45 -6.182 -10.670 4.185 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.667 -11.134 1.651 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.572 -13.080 3.277 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.315 -12.063 4.495 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.327 -11.762 3.110 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.573 -12.579 1.756 1.00 0.00 H new ATOM 700 N THR A 46 -9.172 -9.217 2.035 1.00 0.00 N ATOM 701 CA THR A 46 -10.041 -8.062 2.234 1.00 0.00 C ATOM 702 C THR A 46 -11.417 -8.500 2.723 1.00 0.00 C ATOM 703 O THR A 46 -11.805 -9.656 2.563 1.00 0.00 O ATOM 704 CB THR A 46 -10.186 -7.283 0.928 1.00 0.00 C ATOM 705 OG1 THR A 46 -11.019 -8.009 0.036 1.00 0.00 O ATOM 706 CG2 THR A 46 -8.808 -7.081 0.300 1.00 0.00 C ATOM 0 H THR A 46 -9.094 -9.531 1.068 1.00 0.00 H new ATOM 0 HA THR A 46 -9.588 -7.421 2.990 1.00 0.00 H new ATOM 0 HB THR A 46 -10.635 -6.310 1.130 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.374 -7.402 -0.647 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.911 -6.525 -0.632 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.173 -6.522 0.988 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.355 -8.051 0.096 1.00 0.00 H new ATOM 714 N ARG A 47 -12.152 -7.564 3.319 1.00 0.00 N ATOM 715 CA ARG A 47 -13.485 -7.864 3.824 1.00 0.00 C ATOM 716 C ARG A 47 -14.347 -8.472 2.724 1.00 0.00 C ATOM 717 O ARG A 47 -15.136 -9.383 2.971 1.00 0.00 O ATOM 718 CB ARG A 47 -14.145 -6.586 4.347 1.00 0.00 C ATOM 719 CG ARG A 47 -13.475 -6.165 5.658 1.00 0.00 C ATOM 720 CD ARG A 47 -14.158 -4.908 6.199 1.00 0.00 C ATOM 721 NE ARG A 47 -13.724 -4.649 7.567 1.00 0.00 N ATOM 722 CZ ARG A 47 -12.483 -4.250 7.830 1.00 0.00 C ATOM 723 NH1 ARG A 47 -11.630 -4.086 6.856 1.00 0.00 N ATOM 724 NH2 ARG A 47 -12.119 -4.023 9.063 1.00 0.00 N ATOM 0 H ARG A 47 -11.849 -6.601 3.462 1.00 0.00 H new ATOM 0 HA ARG A 47 -13.393 -8.583 4.638 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -14.056 -5.789 3.608 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -15.210 -6.754 4.508 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -13.542 -6.971 6.388 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -12.415 -5.973 5.492 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -13.918 -4.054 5.566 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -15.241 -5.032 6.170 1.00 0.00 H new ATOM 0 HE ARG A 47 -14.383 -4.776 8.335 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -11.915 -4.264 5.893 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -10.678 -3.780 7.058 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -12.786 -4.152 9.824 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -11.167 -3.717 9.266 1.00 0.00 H new ATOM 738 N ASP A 48 -14.185 -7.963 1.506 1.00 0.00 N ATOM 739 CA ASP A 48 -14.950 -8.467 0.373 1.00 0.00 C ATOM 740 C ASP A 48 -14.507 -9.882 0.022 1.00 0.00 C ATOM 741 O ASP A 48 -15.096 -10.535 -0.839 1.00 0.00 O ATOM 742 CB ASP A 48 -14.753 -7.552 -0.839 1.00 0.00 C ATOM 743 CG ASP A 48 -15.597 -8.048 -2.009 1.00 0.00 C ATOM 744 OD1 ASP A 48 -16.717 -8.470 -1.768 1.00 0.00 O ATOM 745 OD2 ASP A 48 -15.112 -7.999 -3.125 1.00 0.00 O ATOM 0 H ASP A 48 -13.537 -7.209 1.281 1.00 0.00 H new ATOM 0 HA ASP A 48 -16.005 -8.484 0.646 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -15.035 -6.531 -0.584 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -13.701 -7.531 -1.122 1.00 0.00 H new ATOM 750 N GLY A 49 -13.460 -10.350 0.696 1.00 0.00 N ATOM 751 CA GLY A 49 -12.940 -11.691 0.454 1.00 0.00 C ATOM 752 C GLY A 49 -12.024 -11.709 -0.764 1.00 0.00 C ATOM 753 O GLY A 49 -11.953 -12.706 -1.483 1.00 0.00 O ATOM 0 H GLY A 49 -12.958 -9.823 1.410 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.392 -12.036 1.331 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.767 -12.384 0.302 1.00 0.00 H new ATOM 757 N THR A 50 -11.319 -10.601 -0.991 1.00 0.00 N ATOM 758 CA THR A 50 -10.403 -10.501 -2.128 1.00 0.00 C ATOM 759 C THR A 50 -8.991 -10.898 -1.710 1.00 0.00 C ATOM 760 O THR A 50 -8.377 -10.242 -0.870 1.00 0.00 O ATOM 761 CB THR A 50 -10.391 -9.069 -2.665 1.00 0.00 C ATOM 762 OG1 THR A 50 -11.727 -8.616 -2.836 1.00 0.00 O ATOM 763 CG2 THR A 50 -9.663 -9.033 -4.009 1.00 0.00 C ATOM 0 H THR A 50 -11.363 -9.765 -0.408 1.00 0.00 H new ATOM 0 HA THR A 50 -10.746 -11.179 -2.909 1.00 0.00 H new ATOM 0 HB THR A 50 -9.876 -8.420 -1.957 1.00 0.00 H new ATOM 0 HG1 THR A 50 -11.720 -7.698 -3.178 1.00 0.00 H new ATOM 0 HG21 THR A 50 -9.655 -8.012 -4.391 1.00 0.00 H new ATOM 0 HG22 THR A 50 -8.638 -9.379 -3.877 1.00 0.00 H new ATOM 0 HG23 THR A 50 -10.177 -9.682 -4.718 1.00 0.00 H new ATOM 771 N LYS A 51 -8.483 -11.973 -2.298 1.00 0.00 N ATOM 772 CA LYS A 51 -7.141 -12.442 -1.973 1.00 0.00 C ATOM 773 C LYS A 51 -6.092 -11.568 -2.649 1.00 0.00 C ATOM 774 O LYS A 51 -6.011 -11.508 -3.876 1.00 0.00 O ATOM 775 CB LYS A 51 -6.967 -13.895 -2.421 1.00 0.00 C ATOM 776 CG LYS A 51 -5.653 -14.449 -1.859 1.00 0.00 C ATOM 777 CD LYS A 51 -5.383 -15.839 -2.448 1.00 0.00 C ATOM 778 CE LYS A 51 -6.558 -16.778 -2.148 1.00 0.00 C ATOM 779 NZ LYS A 51 -7.616 -16.596 -3.183 1.00 0.00 N ATOM 0 H LYS A 51 -8.973 -12.532 -2.996 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.008 -12.381 -0.893 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.806 -14.497 -2.073 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.963 -13.953 -3.509 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.831 -13.775 -2.100 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.708 -14.509 -0.772 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -5.234 -15.763 -3.525 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.464 -16.248 -2.028 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.217 -17.813 -2.139 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.962 -16.567 -1.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -8.429 -16.100 -2.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -7.237 -16.035 -3.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.921 -17.526 -3.535 1.00 0.00 H new ATOM 793 N ILE A 52 -5.286 -10.894 -1.832 1.00 0.00 N ATOM 794 CA ILE A 52 -4.227 -10.020 -2.337 1.00 0.00 C ATOM 795 C ILE A 52 -2.926 -10.306 -1.590 1.00 0.00 C ATOM 796 O ILE A 52 -2.880 -10.253 -0.362 1.00 0.00 O ATOM 797 CB ILE A 52 -4.629 -8.546 -2.150 1.00 0.00 C ATOM 798 CG1 ILE A 52 -5.407 -8.392 -0.847 1.00 0.00 C ATOM 799 CG2 ILE A 52 -5.526 -8.092 -3.296 1.00 0.00 C ATOM 800 CD1 ILE A 52 -5.561 -6.912 -0.497 1.00 0.00 C ATOM 0 H ILE A 52 -5.345 -10.936 -0.815 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.079 -10.212 -3.400 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.723 -7.941 -2.129 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -6.389 -8.854 -0.944 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.888 -8.912 -0.041 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.802 -7.048 -3.150 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.992 -8.198 -4.240 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.427 -8.706 -3.318 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -6.118 -6.815 0.435 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.575 -6.461 -0.380 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.100 -6.403 -1.296 1.00 0.00 H new ATOM 812 N ILE A 53 -1.875 -10.616 -2.342 1.00 0.00 N ATOM 813 CA ILE A 53 -0.575 -10.921 -1.749 1.00 0.00 C ATOM 814 C ILE A 53 0.231 -9.646 -1.529 1.00 0.00 C ATOM 815 O ILE A 53 0.155 -8.710 -2.323 1.00 0.00 O ATOM 816 CB ILE A 53 0.207 -11.865 -2.665 1.00 0.00 C ATOM 817 CG1 ILE A 53 -0.633 -13.113 -2.946 1.00 0.00 C ATOM 818 CG2 ILE A 53 1.513 -12.274 -1.983 1.00 0.00 C ATOM 819 CD1 ILE A 53 0.052 -13.958 -4.022 1.00 0.00 C ATOM 0 H ILE A 53 -1.896 -10.663 -3.361 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.743 -11.401 -0.785 1.00 0.00 H new ATOM 0 HB ILE A 53 0.431 -11.357 -3.603 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.754 -13.696 -2.033 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.632 -12.826 -3.275 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.069 -12.946 -2.636 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.112 -11.386 -1.781 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.290 -12.782 -1.045 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.546 -14.847 -4.222 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.150 -13.373 -4.936 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.041 -14.257 -3.675 1.00 0.00 H new ATOM 831 N MET A 54 1.012 -9.622 -0.452 1.00 0.00 N ATOM 832 CA MET A 54 1.832 -8.453 -0.155 1.00 0.00 C ATOM 833 C MET A 54 2.949 -8.337 -1.189 1.00 0.00 C ATOM 834 O MET A 54 4.076 -8.765 -0.952 1.00 0.00 O ATOM 835 CB MET A 54 2.419 -8.570 1.259 1.00 0.00 C ATOM 836 CG MET A 54 3.156 -7.279 1.636 1.00 0.00 C ATOM 837 SD MET A 54 1.964 -5.959 1.997 1.00 0.00 S ATOM 838 CE MET A 54 2.826 -4.605 1.152 1.00 0.00 C ATOM 0 H MET A 54 1.094 -10.386 0.219 1.00 0.00 H new ATOM 0 HA MET A 54 1.215 -7.556 -0.200 1.00 0.00 H new ATOM 0 HB2 MET A 54 1.622 -8.765 1.976 1.00 0.00 H new ATOM 0 HB3 MET A 54 3.105 -9.416 1.307 1.00 0.00 H new ATOM 0 HG2 MET A 54 3.790 -7.454 2.505 1.00 0.00 H new ATOM 0 HG3 MET A 54 3.811 -6.974 0.820 1.00 0.00 H new ATOM 0 HE1 MET A 54 2.118 -3.807 0.927 1.00 0.00 H new ATOM 0 HE2 MET A 54 3.616 -4.218 1.796 1.00 0.00 H new ATOM 0 HE3 MET A 54 3.263 -4.975 0.224 1.00 0.00 H new ATOM 848 N LYS A 55 2.624 -7.759 -2.340 1.00 0.00 N ATOM 849 CA LYS A 55 3.605 -7.597 -3.406 1.00 0.00 C ATOM 850 C LYS A 55 4.611 -6.511 -3.045 1.00 0.00 C ATOM 851 O LYS A 55 5.776 -6.791 -2.767 1.00 0.00 O ATOM 852 CB LYS A 55 2.895 -7.219 -4.717 1.00 0.00 C ATOM 853 CG LYS A 55 3.835 -7.454 -5.917 1.00 0.00 C ATOM 854 CD LYS A 55 3.737 -8.915 -6.402 1.00 0.00 C ATOM 855 CE LYS A 55 2.572 -9.069 -7.385 1.00 0.00 C ATOM 856 NZ LYS A 55 2.543 -10.466 -7.906 1.00 0.00 N ATOM 0 H LYS A 55 1.696 -7.397 -2.558 1.00 0.00 H new ATOM 0 HA LYS A 55 4.134 -8.541 -3.535 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.989 -7.814 -4.833 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.588 -6.174 -4.685 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.573 -6.776 -6.730 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.862 -7.227 -5.632 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.670 -9.209 -6.883 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.594 -9.580 -5.550 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.630 -8.835 -6.889 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.682 -8.364 -8.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.752 -10.571 -8.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.438 -10.673 -8.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.419 -11.129 -7.115 1.00 0.00 H new ATOM 870 N GLY A 56 4.143 -5.275 -3.062 1.00 0.00 N ATOM 871 CA GLY A 56 4.986 -4.133 -2.747 1.00 0.00 C ATOM 872 C GLY A 56 5.423 -4.149 -1.286 1.00 0.00 C ATOM 873 O GLY A 56 4.888 -3.407 -0.463 1.00 0.00 O ATOM 0 H GLY A 56 3.179 -5.035 -3.292 1.00 0.00 H new ATOM 0 HA2 GLY A 56 5.865 -4.139 -3.391 1.00 0.00 H new ATOM 0 HA3 GLY A 56 4.444 -3.211 -2.956 1.00 0.00 H new ATOM 877 N ASN A 57 6.401 -4.991 -0.968 1.00 0.00 N ATOM 878 CA ASN A 57 6.898 -5.078 0.400 1.00 0.00 C ATOM 879 C ASN A 57 7.765 -3.866 0.723 1.00 0.00 C ATOM 880 O ASN A 57 8.223 -3.698 1.853 1.00 0.00 O ATOM 881 CB ASN A 57 7.714 -6.359 0.585 1.00 0.00 C ATOM 882 CG ASN A 57 8.326 -6.391 1.983 1.00 0.00 C ATOM 883 OD1 ASN A 57 9.388 -6.981 2.182 1.00 0.00 O ATOM 884 ND2 ASN A 57 7.718 -5.786 2.968 1.00 0.00 N ATOM 0 H ASN A 57 6.860 -5.616 -1.630 1.00 0.00 H new ATOM 0 HA ASN A 57 6.045 -5.097 1.078 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.076 -7.231 0.438 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.501 -6.410 -0.167 1.00 0.00 H new ATOM 0 HD21 ASN A 57 8.123 -5.802 3.904 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.838 -5.298 2.801 1.00 0.00 H new ATOM 891 N GLU A 58 7.985 -3.022 -0.281 1.00 0.00 N ATOM 892 CA GLU A 58 8.798 -1.822 -0.104 1.00 0.00 C ATOM 893 C GLU A 58 7.956 -0.687 0.470 1.00 0.00 C ATOM 894 O GLU A 58 7.652 0.285 -0.222 1.00 0.00 O ATOM 895 CB GLU A 58 9.389 -1.391 -1.448 1.00 0.00 C ATOM 896 CG GLU A 58 10.225 -2.532 -2.029 1.00 0.00 C ATOM 897 CD GLU A 58 10.804 -2.121 -3.378 1.00 0.00 C ATOM 898 OE1 GLU A 58 10.993 -0.934 -3.582 1.00 0.00 O ATOM 899 OE2 GLU A 58 11.051 -3.000 -4.188 1.00 0.00 O ATOM 0 H GLU A 58 7.613 -3.146 -1.223 1.00 0.00 H new ATOM 0 HA GLU A 58 9.605 -2.050 0.592 1.00 0.00 H new ATOM 0 HB2 GLU A 58 8.590 -1.123 -2.139 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.008 -0.503 -1.317 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.031 -2.790 -1.342 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.608 -3.423 -2.145 1.00 0.00 H new ATOM 906 N ILE A 59 7.585 -0.819 1.739 1.00 0.00 N ATOM 907 CA ILE A 59 6.776 0.200 2.398 1.00 0.00 C ATOM 908 C ILE A 59 7.570 1.494 2.562 1.00 0.00 C ATOM 909 O ILE A 59 6.993 2.572 2.701 1.00 0.00 O ATOM 910 CB ILE A 59 6.328 -0.303 3.770 1.00 0.00 C ATOM 911 CG1 ILE A 59 7.529 -0.900 4.509 1.00 0.00 C ATOM 912 CG2 ILE A 59 5.253 -1.379 3.592 1.00 0.00 C ATOM 913 CD1 ILE A 59 7.156 -1.161 5.969 1.00 0.00 C ATOM 0 H ILE A 59 7.829 -1.615 2.328 1.00 0.00 H new ATOM 0 HA ILE A 59 5.902 0.402 1.779 1.00 0.00 H new ATOM 0 HB ILE A 59 5.920 0.527 4.347 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.838 -1.829 4.030 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.377 -0.217 4.456 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.933 -1.739 4.570 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.399 -0.956 3.063 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.661 -2.209 3.016 1.00 0.00 H new ATOM 0 HD11 ILE A 59 8.012 -1.586 6.493 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.869 -0.223 6.444 1.00 0.00 H new ATOM 0 HD13 ILE A 59 6.321 -1.860 6.012 1.00 0.00 H new ATOM 925 N PHE A 60 8.892 1.378 2.542 1.00 0.00 N ATOM 926 CA PHE A 60 9.753 2.546 2.689 1.00 0.00 C ATOM 927 C PHE A 60 9.380 3.617 1.668 1.00 0.00 C ATOM 928 O PHE A 60 9.561 4.809 1.912 1.00 0.00 O ATOM 929 CB PHE A 60 11.217 2.143 2.496 1.00 0.00 C ATOM 930 CG PHE A 60 12.104 3.342 2.731 1.00 0.00 C ATOM 931 CD1 PHE A 60 12.567 3.629 4.021 1.00 0.00 C ATOM 932 CD2 PHE A 60 12.462 4.168 1.659 1.00 0.00 C ATOM 933 CE1 PHE A 60 13.389 4.741 4.238 1.00 0.00 C ATOM 934 CE2 PHE A 60 13.284 5.280 1.876 1.00 0.00 C ATOM 935 CZ PHE A 60 13.748 5.567 3.166 1.00 0.00 C ATOM 0 H PHE A 60 9.389 0.495 2.426 1.00 0.00 H new ATOM 0 HA PHE A 60 9.617 2.951 3.692 1.00 0.00 H new ATOM 0 HB2 PHE A 60 11.479 1.342 3.187 1.00 0.00 H new ATOM 0 HB3 PHE A 60 11.369 1.757 1.488 1.00 0.00 H new ATOM 0 HD1 PHE A 60 12.290 2.992 4.848 1.00 0.00 H new ATOM 0 HD2 PHE A 60 12.104 3.947 0.664 1.00 0.00 H new ATOM 0 HE1 PHE A 60 13.747 4.962 5.233 1.00 0.00 H new ATOM 0 HE2 PHE A 60 13.560 5.917 1.049 1.00 0.00 H new ATOM 0 HZ PHE A 60 14.382 6.425 3.334 1.00 0.00 H new ATOM 945 N ARG A 61 8.860 3.181 0.525 1.00 0.00 N ATOM 946 CA ARG A 61 8.467 4.111 -0.527 1.00 0.00 C ATOM 947 C ARG A 61 7.512 5.169 0.019 1.00 0.00 C ATOM 948 O ARG A 61 7.619 6.348 -0.320 1.00 0.00 O ATOM 949 CB ARG A 61 7.789 3.350 -1.668 1.00 0.00 C ATOM 950 CG ARG A 61 7.605 4.282 -2.868 1.00 0.00 C ATOM 951 CD ARG A 61 7.119 3.473 -4.072 1.00 0.00 C ATOM 952 NE ARG A 61 8.202 2.650 -4.598 1.00 0.00 N ATOM 953 CZ ARG A 61 7.964 1.675 -5.468 1.00 0.00 C ATOM 954 NH1 ARG A 61 6.744 1.440 -5.869 1.00 0.00 N ATOM 955 NH2 ARG A 61 8.952 0.952 -5.924 1.00 0.00 N ATOM 0 H ARG A 61 8.702 2.198 0.305 1.00 0.00 H new ATOM 0 HA ARG A 61 9.363 4.607 -0.901 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.393 2.488 -1.953 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.822 2.968 -1.340 1.00 0.00 H new ATOM 0 HG2 ARG A 61 6.885 5.064 -2.627 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.547 4.777 -3.105 1.00 0.00 H new ATOM 0 HD2 ARG A 61 6.281 2.840 -3.779 1.00 0.00 H new ATOM 0 HD3 ARG A 61 6.754 4.146 -4.848 1.00 0.00 H new ATOM 0 HE ARG A 61 9.159 2.826 -4.292 1.00 0.00 H new ATOM 0 HH11 ARG A 61 5.973 2.005 -5.514 1.00 0.00 H new ATOM 0 HH12 ARG A 61 6.562 0.691 -6.537 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.905 1.136 -5.612 1.00 0.00 H new ATOM 0 HH22 ARG A 61 8.770 0.203 -6.592 1.00 0.00 H new ATOM 969 N LEU A 62 6.580 4.741 0.864 1.00 0.00 N ATOM 970 CA LEU A 62 5.613 5.664 1.449 1.00 0.00 C ATOM 971 C LEU A 62 6.324 6.870 2.056 1.00 0.00 C ATOM 972 O LEU A 62 5.973 8.015 1.773 1.00 0.00 O ATOM 973 CB LEU A 62 4.799 4.948 2.535 1.00 0.00 C ATOM 974 CG LEU A 62 3.590 5.812 2.953 1.00 0.00 C ATOM 975 CD1 LEU A 62 2.417 5.596 1.987 1.00 0.00 C ATOM 976 CD2 LEU A 62 3.143 5.421 4.367 1.00 0.00 C ATOM 0 H LEU A 62 6.473 3.770 1.157 1.00 0.00 H new ATOM 0 HA LEU A 62 4.944 6.009 0.661 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.454 3.983 2.164 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.430 4.750 3.401 1.00 0.00 H new ATOM 0 HG LEU A 62 3.889 6.860 2.929 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.573 6.212 2.296 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.720 5.876 0.978 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.124 4.546 2.000 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.289 6.032 4.661 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.858 4.369 4.381 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.963 5.584 5.066 1.00 0.00 H new