USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=14 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 150:sc= -0.1 USER MOD Set 1.2: A 50 THR OG1 : rot 180:sc=-0.00846 USER MOD Set 2.1: A 16 SER OG : rot -160:sc= 0 USER MOD Set 2.2: A 28 MET CE :methyl -139:sc= -0.235 (180deg=-2.86!) USER MOD Single : A 8 LYS NZ :NH3+ 145:sc= -2.86 (180deg=-4.53!) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.205 USER MOD Single : A 10 TYR OH : rot 30:sc= -0.424 USER MOD Single : A 13 GLN : amide:sc= -2.12 K(o=-2.1,f=-0.56) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HE2:sc= -7.5! C(o=-7.5!,f=-10!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -11.7! C(o=-12!,f=-5.8!) USER MOD Single : A 31 LYS NZ :NH3+ 141:sc= -0.185 (180deg=-1.01) USER MOD Single : A 34 LYS NZ :NH3+ -161:sc= -0.0712 (180deg=-0.628) USER MOD Single : A 35 SER OG : rot -120:sc= -0.601 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -5.57! K(o=-5.6!,f=-1) USER MOD Single : A 38 MET CE :methyl -176:sc= 0 (180deg=-0.00324) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl -158:sc= -0.694 (180deg=-2.34) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl -178:sc= -2.29 (180deg=-2.29) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -3.45! K(o=-3.4!,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 104 N LYS A 8 -4.958 3.491 -4.145 1.00 0.00 N ATOM 105 CA LYS A 8 -5.550 2.186 -3.870 1.00 0.00 C ATOM 106 C LYS A 8 -5.753 2.000 -2.370 1.00 0.00 C ATOM 107 O LYS A 8 -4.995 2.532 -1.560 1.00 0.00 O ATOM 108 CB LYS A 8 -4.637 1.070 -4.401 1.00 0.00 C ATOM 109 CG LYS A 8 -5.371 -0.305 -4.364 1.00 0.00 C ATOM 110 CD LYS A 8 -5.589 -0.852 -5.787 1.00 0.00 C ATOM 111 CE LYS A 8 -6.702 -0.068 -6.496 1.00 0.00 C ATOM 112 NZ LYS A 8 -6.188 1.266 -6.919 1.00 0.00 N ATOM 0 HA LYS A 8 -6.517 2.135 -4.371 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.332 1.298 -5.422 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.729 1.020 -3.801 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -4.787 -1.018 -3.782 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.332 -0.195 -3.862 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.663 -0.779 -6.358 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.852 -1.909 -5.741 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -7.055 -0.624 -7.364 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -7.555 0.055 -5.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -6.626 1.536 -7.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -6.423 1.974 -6.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -5.156 1.219 -7.035 1.00 0.00 H new ATOM 126 N THR A 9 -6.781 1.238 -2.006 1.00 0.00 N ATOM 127 CA THR A 9 -7.076 0.981 -0.601 1.00 0.00 C ATOM 128 C THR A 9 -7.791 -0.357 -0.444 1.00 0.00 C ATOM 129 O THR A 9 -8.942 -0.508 -0.850 1.00 0.00 O ATOM 130 CB THR A 9 -7.956 2.099 -0.038 1.00 0.00 C ATOM 131 OG1 THR A 9 -7.349 3.357 -0.306 1.00 0.00 O ATOM 132 CG2 THR A 9 -8.114 1.917 1.472 1.00 0.00 C ATOM 0 H THR A 9 -7.421 0.790 -2.662 1.00 0.00 H new ATOM 0 HA THR A 9 -6.136 0.948 -0.051 1.00 0.00 H new ATOM 0 HB THR A 9 -8.938 2.061 -0.509 1.00 0.00 H new ATOM 0 HG1 THR A 9 -7.912 4.075 0.052 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.741 2.714 1.871 1.00 0.00 H new ATOM 0 HG22 THR A 9 -8.580 0.953 1.675 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.134 1.954 1.947 1.00 0.00 H new ATOM 140 N TYR A 10 -7.095 -1.327 0.152 1.00 0.00 N ATOM 141 CA TYR A 10 -7.664 -2.661 0.368 1.00 0.00 C ATOM 142 C TYR A 10 -7.941 -2.882 1.855 1.00 0.00 C ATOM 143 O TYR A 10 -7.034 -3.211 2.619 1.00 0.00 O ATOM 144 CB TYR A 10 -6.685 -3.734 -0.127 1.00 0.00 C ATOM 145 CG TYR A 10 -6.702 -3.814 -1.643 1.00 0.00 C ATOM 146 CD1 TYR A 10 -7.875 -4.191 -2.311 1.00 0.00 C ATOM 147 CD2 TYR A 10 -5.542 -3.521 -2.380 1.00 0.00 C ATOM 148 CE1 TYR A 10 -7.890 -4.276 -3.707 1.00 0.00 C ATOM 149 CE2 TYR A 10 -5.561 -3.607 -3.778 1.00 0.00 C ATOM 150 CZ TYR A 10 -6.735 -3.983 -4.441 1.00 0.00 C ATOM 151 OH TYR A 10 -6.754 -4.070 -5.818 1.00 0.00 O ATOM 0 H TYR A 10 -6.140 -1.216 0.493 1.00 0.00 H new ATOM 0 HA TYR A 10 -8.599 -2.734 -0.188 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.678 -3.502 0.219 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -6.953 -4.702 0.297 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -8.768 -4.416 -1.747 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.636 -3.230 -1.869 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -8.795 -4.568 -4.219 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -4.669 -3.383 -4.345 1.00 0.00 H new ATOM 0 HH TYR A 10 -7.656 -3.871 -6.146 1.00 0.00 H new ATOM 161 N ASP A 11 -9.194 -2.699 2.258 1.00 0.00 N ATOM 162 CA ASP A 11 -9.569 -2.883 3.654 1.00 0.00 C ATOM 163 C ASP A 11 -9.238 -4.296 4.124 1.00 0.00 C ATOM 164 O ASP A 11 -10.019 -5.225 3.925 1.00 0.00 O ATOM 165 CB ASP A 11 -11.064 -2.625 3.829 1.00 0.00 C ATOM 166 CG ASP A 11 -11.375 -1.157 3.558 1.00 0.00 C ATOM 167 OD1 ASP A 11 -11.296 -0.373 4.489 1.00 0.00 O ATOM 168 OD2 ASP A 11 -11.691 -0.839 2.423 1.00 0.00 O ATOM 0 H ASP A 11 -9.961 -2.426 1.643 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.002 -2.173 4.256 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.633 -3.258 3.148 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.371 -2.890 4.841 1.00 0.00 H new ATOM 173 N LEU A 12 -8.075 -4.444 4.750 1.00 0.00 N ATOM 174 CA LEU A 12 -7.632 -5.743 5.251 1.00 0.00 C ATOM 175 C LEU A 12 -8.435 -6.139 6.492 1.00 0.00 C ATOM 176 O LEU A 12 -9.086 -5.303 7.119 1.00 0.00 O ATOM 177 CB LEU A 12 -6.116 -5.665 5.584 1.00 0.00 C ATOM 178 CG LEU A 12 -5.261 -6.543 4.640 1.00 0.00 C ATOM 179 CD1 LEU A 12 -5.645 -6.329 3.159 1.00 0.00 C ATOM 180 CD2 LEU A 12 -3.788 -6.174 4.846 1.00 0.00 C ATOM 0 H LEU A 12 -7.421 -3.681 4.923 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.797 -6.504 4.488 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.784 -4.629 5.513 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.956 -5.981 6.615 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.438 -7.592 4.877 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.023 -6.963 2.527 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.694 -6.589 3.014 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.490 -5.284 2.890 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.165 -6.782 4.189 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.641 -5.120 4.612 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.509 -6.358 5.883 1.00 0.00 H new ATOM 192 N GLN A 13 -8.373 -7.422 6.836 1.00 0.00 N ATOM 193 CA GLN A 13 -9.090 -7.929 8.001 1.00 0.00 C ATOM 194 C GLN A 13 -8.328 -7.595 9.278 1.00 0.00 C ATOM 195 O GLN A 13 -8.886 -7.635 10.375 1.00 0.00 O ATOM 196 CB GLN A 13 -9.267 -9.447 7.888 1.00 0.00 C ATOM 197 CG GLN A 13 -10.349 -9.765 6.852 1.00 0.00 C ATOM 198 CD GLN A 13 -11.731 -9.503 7.444 1.00 0.00 C ATOM 199 OE1 GLN A 13 -12.254 -10.329 8.193 1.00 0.00 O ATOM 200 NE2 GLN A 13 -12.357 -8.396 7.151 1.00 0.00 N ATOM 0 H GLN A 13 -7.837 -8.126 6.328 1.00 0.00 H new ATOM 0 HA GLN A 13 -10.071 -7.454 8.040 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.325 -9.912 7.598 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -9.544 -9.864 8.857 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.203 -9.153 5.962 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.270 -10.806 6.539 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -11.922 -7.713 6.531 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -13.281 -8.214 7.543 1.00 0.00 H new ATOM 209 N ASP A 14 -7.047 -7.265 9.128 1.00 0.00 N ATOM 210 CA ASP A 14 -6.216 -6.925 10.278 1.00 0.00 C ATOM 211 C ASP A 14 -6.459 -5.482 10.706 1.00 0.00 C ATOM 212 O ASP A 14 -5.710 -4.930 11.512 1.00 0.00 O ATOM 213 CB ASP A 14 -4.739 -7.113 9.926 1.00 0.00 C ATOM 214 CG ASP A 14 -3.876 -6.879 11.162 1.00 0.00 C ATOM 215 OD1 ASP A 14 -4.289 -7.290 12.235 1.00 0.00 O ATOM 216 OD2 ASP A 14 -2.816 -6.294 11.018 1.00 0.00 O ATOM 0 H ASP A 14 -6.566 -7.226 8.229 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.481 -7.586 11.103 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.573 -8.119 9.541 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -4.453 -6.419 9.136 1.00 0.00 H new ATOM 221 N GLY A 15 -7.508 -4.878 10.160 1.00 0.00 N ATOM 222 CA GLY A 15 -7.839 -3.497 10.490 1.00 0.00 C ATOM 223 C GLY A 15 -6.978 -2.530 9.688 1.00 0.00 C ATOM 224 O GLY A 15 -7.241 -1.328 9.657 1.00 0.00 O ATOM 0 H GLY A 15 -8.140 -5.319 9.492 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.893 -3.311 10.283 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.689 -3.327 11.556 1.00 0.00 H new ATOM 228 N SER A 16 -5.948 -3.065 9.037 1.00 0.00 N ATOM 229 CA SER A 16 -5.049 -2.247 8.231 1.00 0.00 C ATOM 230 C SER A 16 -5.588 -2.111 6.812 1.00 0.00 C ATOM 231 O SER A 16 -6.633 -2.671 6.479 1.00 0.00 O ATOM 232 CB SER A 16 -3.661 -2.884 8.190 1.00 0.00 C ATOM 233 OG SER A 16 -3.744 -4.146 7.539 1.00 0.00 O ATOM 0 H SER A 16 -5.717 -4.058 9.052 1.00 0.00 H new ATOM 0 HA SER A 16 -4.980 -1.257 8.682 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.965 -2.233 7.661 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.275 -3.008 9.202 1.00 0.00 H new ATOM 0 HG SER A 16 -2.965 -4.690 7.780 1.00 0.00 H new ATOM 239 N LYS A 17 -4.870 -1.366 5.976 1.00 0.00 N ATOM 240 CA LYS A 17 -5.283 -1.163 4.588 1.00 0.00 C ATOM 241 C LYS A 17 -4.066 -1.049 3.682 1.00 0.00 C ATOM 242 O LYS A 17 -3.166 -0.248 3.932 1.00 0.00 O ATOM 243 CB LYS A 17 -6.123 0.111 4.465 1.00 0.00 C ATOM 244 CG LYS A 17 -7.145 0.157 5.599 1.00 0.00 C ATOM 245 CD LYS A 17 -8.070 1.360 5.404 1.00 0.00 C ATOM 246 CE LYS A 17 -9.229 1.282 6.401 1.00 0.00 C ATOM 247 NZ LYS A 17 -10.058 2.516 6.295 1.00 0.00 N ATOM 0 H LYS A 17 -4.003 -0.894 6.233 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.880 -2.022 4.282 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.479 0.990 4.505 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.632 0.133 3.501 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -7.727 -0.764 5.615 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.635 0.229 6.560 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.514 2.286 5.549 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.454 1.375 4.384 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -9.839 0.402 6.198 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -8.844 1.175 7.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.846 2.464 6.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.472 3.348 6.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -10.436 2.598 5.330 1.00 0.00 H new ATOM 261 N VAL A 18 -4.046 -1.853 2.625 1.00 0.00 N ATOM 262 CA VAL A 18 -2.928 -1.826 1.683 1.00 0.00 C ATOM 263 C VAL A 18 -3.110 -0.666 0.694 1.00 0.00 C ATOM 264 O VAL A 18 -4.229 -0.371 0.274 1.00 0.00 O ATOM 265 CB VAL A 18 -2.823 -3.160 0.900 1.00 0.00 C ATOM 266 CG1 VAL A 18 -1.363 -3.442 0.534 1.00 0.00 C ATOM 267 CG2 VAL A 18 -3.360 -4.334 1.730 1.00 0.00 C ATOM 0 H VAL A 18 -4.780 -2.524 2.398 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.009 -1.687 2.252 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.423 -3.061 -0.004 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.301 -4.381 -0.016 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.981 -2.632 -0.087 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.767 -3.514 1.444 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.273 -5.256 1.155 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.782 -4.424 2.649 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.407 -4.157 1.976 1.00 0.00 H new ATOM 277 N HIS A 19 -2.004 -0.022 0.319 1.00 0.00 N ATOM 278 CA HIS A 19 -2.043 1.094 -0.631 1.00 0.00 C ATOM 279 C HIS A 19 -0.875 0.972 -1.614 1.00 0.00 C ATOM 280 O HIS A 19 0.288 1.006 -1.214 1.00 0.00 O ATOM 281 CB HIS A 19 -2.006 2.442 0.139 1.00 0.00 C ATOM 282 CG HIS A 19 -0.606 3.016 0.206 1.00 0.00 C ATOM 283 ND1 HIS A 19 -0.263 4.187 -0.454 1.00 0.00 N ATOM 284 CD2 HIS A 19 0.538 2.601 0.846 1.00 0.00 C ATOM 285 CE1 HIS A 19 1.034 4.433 -0.199 1.00 0.00 C ATOM 286 NE2 HIS A 19 1.570 3.498 0.588 1.00 0.00 N ATOM 0 H HIS A 19 -1.070 -0.253 0.658 1.00 0.00 H new ATOM 0 HA HIS A 19 -2.970 1.063 -1.203 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -2.669 3.157 -0.349 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -2.386 2.293 1.150 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -0.883 4.758 -1.029 1.00 0.00 H new ATOM 0 HD2 HIS A 19 0.623 1.714 1.456 1.00 0.00 H new ATOM 0 HE1 HIS A 19 1.576 5.284 -0.584 1.00 0.00 H new ATOM 295 N VAL A 20 -1.189 0.807 -2.899 1.00 0.00 N ATOM 296 CA VAL A 20 -0.151 0.654 -3.918 1.00 0.00 C ATOM 297 C VAL A 20 0.271 2.005 -4.496 1.00 0.00 C ATOM 298 O VAL A 20 -0.485 2.977 -4.456 1.00 0.00 O ATOM 299 CB VAL A 20 -0.638 -0.302 -5.039 1.00 0.00 C ATOM 300 CG1 VAL A 20 -1.646 -1.313 -4.464 1.00 0.00 C ATOM 301 CG2 VAL A 20 -1.306 0.485 -6.180 1.00 0.00 C ATOM 0 H VAL A 20 -2.144 0.776 -3.256 1.00 0.00 H new ATOM 0 HA VAL A 20 0.727 0.217 -3.443 1.00 0.00 H new ATOM 0 HB VAL A 20 0.230 -0.829 -5.436 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.984 -1.981 -5.256 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.168 -1.896 -3.677 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.502 -0.779 -4.051 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.639 -0.207 -6.953 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.164 1.033 -5.790 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.589 1.187 -6.606 1.00 0.00 H new ATOM 311 N PHE A 21 1.488 2.047 -5.038 1.00 0.00 N ATOM 312 CA PHE A 21 2.027 3.267 -5.635 1.00 0.00 C ATOM 313 C PHE A 21 1.828 3.252 -7.147 1.00 0.00 C ATOM 314 O PHE A 21 1.068 2.439 -7.674 1.00 0.00 O ATOM 315 CB PHE A 21 3.520 3.375 -5.315 1.00 0.00 C ATOM 316 CG PHE A 21 3.698 3.697 -3.851 1.00 0.00 C ATOM 317 CD1 PHE A 21 3.565 2.685 -2.893 1.00 0.00 C ATOM 318 CD2 PHE A 21 3.993 5.006 -3.450 1.00 0.00 C ATOM 319 CE1 PHE A 21 3.726 2.981 -1.534 1.00 0.00 C ATOM 320 CE2 PHE A 21 4.154 5.302 -2.092 1.00 0.00 C ATOM 321 CZ PHE A 21 4.021 4.289 -1.134 1.00 0.00 C ATOM 0 H PHE A 21 2.120 1.247 -5.075 1.00 0.00 H new ATOM 0 HA PHE A 21 1.499 4.126 -5.220 1.00 0.00 H new ATOM 0 HB2 PHE A 21 4.023 2.439 -5.556 1.00 0.00 H new ATOM 0 HB3 PHE A 21 3.979 4.151 -5.928 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.338 1.675 -3.202 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.096 5.787 -4.189 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.623 2.200 -0.795 1.00 0.00 H new ATOM 0 HE2 PHE A 21 4.381 6.312 -1.783 1.00 0.00 H new ATOM 0 HZ PHE A 21 4.146 4.518 -0.086 1.00 0.00 H new ATOM 331 N LYS A 22 2.512 4.155 -7.841 1.00 0.00 N ATOM 332 CA LYS A 22 2.400 4.236 -9.293 1.00 0.00 C ATOM 333 C LYS A 22 3.142 3.077 -9.957 1.00 0.00 C ATOM 334 O LYS A 22 2.849 2.713 -11.095 1.00 0.00 O ATOM 335 CB LYS A 22 2.979 5.569 -9.785 1.00 0.00 C ATOM 336 CG LYS A 22 2.512 5.855 -11.227 1.00 0.00 C ATOM 337 CD LYS A 22 1.141 6.546 -11.218 1.00 0.00 C ATOM 338 CE LYS A 22 0.774 6.963 -12.642 1.00 0.00 C ATOM 339 NZ LYS A 22 -0.620 7.490 -12.663 1.00 0.00 N ATOM 0 H LYS A 22 3.146 4.837 -7.425 1.00 0.00 H new ATOM 0 HA LYS A 22 1.346 4.175 -9.563 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.662 6.377 -9.126 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.068 5.536 -9.748 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.241 6.487 -11.734 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.453 4.923 -11.789 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.384 5.871 -10.818 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.166 7.419 -10.566 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.467 7.725 -12.999 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.862 6.111 -13.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.869 7.774 -13.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.276 6.750 -12.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.689 8.314 -12.032 1.00 0.00 H new ATOM 353 N ASP A 23 4.105 2.504 -9.241 1.00 0.00 N ATOM 354 CA ASP A 23 4.879 1.391 -9.779 1.00 0.00 C ATOM 355 C ASP A 23 4.083 0.090 -9.714 1.00 0.00 C ATOM 356 O ASP A 23 4.527 -0.946 -10.208 1.00 0.00 O ATOM 357 CB ASP A 23 6.181 1.233 -8.994 1.00 0.00 C ATOM 358 CG ASP A 23 6.883 2.582 -8.875 1.00 0.00 C ATOM 359 OD1 ASP A 23 6.491 3.357 -8.019 1.00 0.00 O ATOM 360 OD2 ASP A 23 7.804 2.819 -9.640 1.00 0.00 O ATOM 0 H ASP A 23 4.366 2.788 -8.297 1.00 0.00 H new ATOM 0 HA ASP A 23 5.105 1.608 -10.823 1.00 0.00 H new ATOM 0 HB2 ASP A 23 5.971 0.834 -8.002 1.00 0.00 H new ATOM 0 HB3 ASP A 23 6.833 0.517 -9.494 1.00 0.00 H new ATOM 365 N GLY A 24 2.898 0.154 -9.112 1.00 0.00 N ATOM 366 CA GLY A 24 2.037 -1.023 -8.997 1.00 0.00 C ATOM 367 C GLY A 24 2.337 -1.829 -7.735 1.00 0.00 C ATOM 368 O GLY A 24 1.558 -2.701 -7.352 1.00 0.00 O ATOM 0 H GLY A 24 2.512 1.003 -8.698 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.993 -0.709 -8.987 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.171 -1.658 -9.873 1.00 0.00 H new ATOM 372 N LYS A 25 3.462 -1.540 -7.086 1.00 0.00 N ATOM 373 CA LYS A 25 3.825 -2.261 -5.868 1.00 0.00 C ATOM 374 C LYS A 25 2.860 -1.899 -4.739 1.00 0.00 C ATOM 375 O LYS A 25 2.402 -0.763 -4.656 1.00 0.00 O ATOM 376 CB LYS A 25 5.270 -1.907 -5.482 1.00 0.00 C ATOM 377 CG LYS A 25 5.379 -0.421 -5.105 1.00 0.00 C ATOM 378 CD LYS A 25 6.829 -0.087 -4.697 1.00 0.00 C ATOM 379 CE LYS A 25 7.669 0.263 -5.931 1.00 0.00 C ATOM 380 NZ LYS A 25 9.115 0.165 -5.589 1.00 0.00 N ATOM 0 H LYS A 25 4.128 -0.824 -7.376 1.00 0.00 H new ATOM 0 HA LYS A 25 3.757 -3.335 -6.043 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.590 -2.525 -4.643 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.939 -2.127 -6.314 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.077 0.200 -5.948 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.700 -0.195 -4.283 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.833 0.750 -3.999 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.272 -0.937 -4.178 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.431 -0.415 -6.751 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.432 1.271 -6.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.686 0.402 -6.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.335 0.829 -4.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.335 -0.805 -5.283 1.00 0.00 H new ATOM 394 N MET A 26 2.560 -2.868 -3.875 1.00 0.00 N ATOM 395 CA MET A 26 1.642 -2.648 -2.751 1.00 0.00 C ATOM 396 C MET A 26 2.363 -1.984 -1.578 1.00 0.00 C ATOM 397 O MET A 26 3.523 -1.590 -1.687 1.00 0.00 O ATOM 398 CB MET A 26 1.044 -3.989 -2.296 1.00 0.00 C ATOM 399 CG MET A 26 -0.133 -4.357 -3.197 1.00 0.00 C ATOM 400 SD MET A 26 -0.613 -6.076 -2.886 1.00 0.00 S ATOM 401 CE MET A 26 -1.011 -6.522 -4.594 1.00 0.00 C ATOM 0 H MET A 26 2.938 -3.814 -3.929 1.00 0.00 H new ATOM 0 HA MET A 26 0.844 -1.985 -3.086 1.00 0.00 H new ATOM 0 HB2 MET A 26 1.804 -4.770 -2.336 1.00 0.00 H new ATOM 0 HB3 MET A 26 0.714 -3.918 -1.260 1.00 0.00 H new ATOM 0 HG2 MET A 26 -0.975 -3.692 -3.004 1.00 0.00 H new ATOM 0 HG3 MET A 26 0.142 -4.228 -4.244 1.00 0.00 H new ATOM 0 HE1 MET A 26 -1.336 -7.562 -4.632 1.00 0.00 H new ATOM 0 HE2 MET A 26 -1.810 -5.878 -4.961 1.00 0.00 H new ATOM 0 HE3 MET A 26 -0.127 -6.395 -5.219 1.00 0.00 H new ATOM 411 N GLY A 27 1.658 -1.870 -0.452 1.00 0.00 N ATOM 412 CA GLY A 27 2.240 -1.259 0.744 1.00 0.00 C ATOM 413 C GLY A 27 1.236 -1.242 1.895 1.00 0.00 C ATOM 414 O GLY A 27 0.099 -0.819 1.721 1.00 0.00 O ATOM 0 H GLY A 27 0.695 -2.188 -0.343 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.131 -1.812 1.042 1.00 0.00 H new ATOM 0 HA3 GLY A 27 2.557 -0.241 0.519 1.00 0.00 H new ATOM 418 N MET A 28 1.657 -1.707 3.068 1.00 0.00 N ATOM 419 CA MET A 28 0.765 -1.738 4.226 1.00 0.00 C ATOM 420 C MET A 28 0.535 -0.342 4.792 1.00 0.00 C ATOM 421 O MET A 28 1.366 0.554 4.640 1.00 0.00 O ATOM 422 CB MET A 28 1.353 -2.613 5.335 1.00 0.00 C ATOM 423 CG MET A 28 1.578 -4.032 4.823 1.00 0.00 C ATOM 424 SD MET A 28 -0.002 -4.799 4.376 1.00 0.00 S ATOM 425 CE MET A 28 -0.743 -4.838 6.030 1.00 0.00 C ATOM 0 H MET A 28 2.597 -2.063 3.242 1.00 0.00 H new ATOM 0 HA MET A 28 -0.185 -2.149 3.884 1.00 0.00 H new ATOM 0 HB2 MET A 28 2.296 -2.190 5.681 1.00 0.00 H new ATOM 0 HB3 MET A 28 0.678 -2.630 6.191 1.00 0.00 H new ATOM 0 HG2 MET A 28 2.238 -4.012 3.956 1.00 0.00 H new ATOM 0 HG3 MET A 28 2.075 -4.627 5.589 1.00 0.00 H new ATOM 0 HE1 MET A 28 -1.263 -5.785 6.173 1.00 0.00 H new ATOM 0 HE2 MET A 28 0.040 -4.736 6.782 1.00 0.00 H new ATOM 0 HE3 MET A 28 -1.452 -4.016 6.131 1.00 0.00 H new ATOM 435 N GLU A 29 -0.596 -0.182 5.472 1.00 0.00 N ATOM 436 CA GLU A 29 -0.944 1.087 6.097 1.00 0.00 C ATOM 437 C GLU A 29 -1.936 0.834 7.230 1.00 0.00 C ATOM 438 O GLU A 29 -3.116 0.578 6.986 1.00 0.00 O ATOM 439 CB GLU A 29 -1.556 2.040 5.059 1.00 0.00 C ATOM 440 CG GLU A 29 -1.414 3.490 5.531 1.00 0.00 C ATOM 441 CD GLU A 29 -2.122 3.677 6.869 1.00 0.00 C ATOM 442 OE1 GLU A 29 -3.333 3.822 6.860 1.00 0.00 O ATOM 443 OE2 GLU A 29 -1.441 3.674 7.882 1.00 0.00 O ATOM 0 H GLU A 29 -1.289 -0.919 5.604 1.00 0.00 H new ATOM 0 HA GLU A 29 -0.044 1.550 6.501 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.059 1.912 4.098 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.608 1.799 4.908 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -0.359 3.747 5.630 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.839 4.166 4.788 1.00 0.00 H new ATOM 450 N ASN A 30 -1.451 0.889 8.466 1.00 0.00 N ATOM 451 CA ASN A 30 -2.313 0.644 9.617 1.00 0.00 C ATOM 452 C ASN A 30 -3.249 1.827 9.871 1.00 0.00 C ATOM 453 O ASN A 30 -3.263 2.795 9.110 1.00 0.00 O ATOM 454 CB ASN A 30 -1.457 0.349 10.858 1.00 0.00 C ATOM 455 CG ASN A 30 -0.899 1.637 11.460 1.00 0.00 C ATOM 456 OD1 ASN A 30 -0.448 1.638 12.605 1.00 0.00 O ATOM 457 ND2 ASN A 30 -0.902 2.735 10.757 1.00 0.00 N ATOM 0 H ASN A 30 -0.479 1.098 8.695 1.00 0.00 H new ATOM 0 HA ASN A 30 -2.935 -0.225 9.403 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.058 -0.173 11.602 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -0.636 -0.315 10.588 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -0.530 3.597 11.156 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -1.276 2.732 9.808 1.00 0.00 H new ATOM 464 N LYS A 31 -4.040 1.729 10.933 1.00 0.00 N ATOM 465 CA LYS A 31 -4.994 2.782 11.277 1.00 0.00 C ATOM 466 C LYS A 31 -4.284 4.055 11.729 1.00 0.00 C ATOM 467 O LYS A 31 -4.842 5.148 11.632 1.00 0.00 O ATOM 468 CB LYS A 31 -5.927 2.286 12.391 1.00 0.00 C ATOM 469 CG LYS A 31 -6.986 3.365 12.740 1.00 0.00 C ATOM 470 CD LYS A 31 -6.575 4.146 14.000 1.00 0.00 C ATOM 471 CE LYS A 31 -7.710 5.089 14.406 1.00 0.00 C ATOM 472 NZ LYS A 31 -8.944 4.296 14.669 1.00 0.00 N ATOM 0 H LYS A 31 -4.041 0.933 11.571 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.573 3.019 10.385 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.425 1.370 12.074 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.344 2.041 13.279 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.101 4.052 11.902 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.955 2.892 12.900 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.353 3.455 14.813 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.665 4.715 13.808 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.429 5.651 15.297 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.894 5.816 13.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.444 4.694 15.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.564 4.331 13.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.686 3.308 14.867 1.00 0.00 H new ATOM 486 N PHE A 32 -3.064 3.916 12.234 1.00 0.00 N ATOM 487 CA PHE A 32 -2.308 5.074 12.705 1.00 0.00 C ATOM 488 C PHE A 32 -1.664 5.813 11.536 1.00 0.00 C ATOM 489 O PHE A 32 -0.765 6.632 11.728 1.00 0.00 O ATOM 490 CB PHE A 32 -1.225 4.628 13.689 1.00 0.00 C ATOM 491 CG PHE A 32 -1.874 4.004 14.904 1.00 0.00 C ATOM 492 CD1 PHE A 32 -2.448 2.731 14.814 1.00 0.00 C ATOM 493 CD2 PHE A 32 -1.904 4.700 16.120 1.00 0.00 C ATOM 494 CE1 PHE A 32 -3.049 2.152 15.938 1.00 0.00 C ATOM 495 CE2 PHE A 32 -2.505 4.122 17.243 1.00 0.00 C ATOM 496 CZ PHE A 32 -3.078 2.848 17.153 1.00 0.00 C ATOM 0 H PHE A 32 -2.579 3.023 12.328 1.00 0.00 H new ATOM 0 HA PHE A 32 -2.999 5.751 13.208 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.558 3.911 13.211 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.616 5.481 13.987 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -2.427 2.195 13.877 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -1.463 5.683 16.190 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.490 1.169 15.868 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.527 4.659 18.180 1.00 0.00 H new ATOM 0 HZ PHE A 32 -3.542 2.402 18.020 1.00 0.00 H new ATOM 506 N GLY A 33 -2.130 5.521 10.327 1.00 0.00 N ATOM 507 CA GLY A 33 -1.590 6.168 9.135 1.00 0.00 C ATOM 508 C GLY A 33 -0.140 5.759 8.908 1.00 0.00 C ATOM 509 O GLY A 33 0.512 6.233 7.980 1.00 0.00 O ATOM 0 H GLY A 33 -2.874 4.847 10.146 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.189 5.897 8.266 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.655 7.251 9.242 1.00 0.00 H new ATOM 513 N LYS A 34 0.356 4.871 9.767 1.00 0.00 N ATOM 514 CA LYS A 34 1.734 4.389 9.665 1.00 0.00 C ATOM 515 C LYS A 34 1.777 3.065 8.913 1.00 0.00 C ATOM 516 O LYS A 34 0.773 2.357 8.824 1.00 0.00 O ATOM 517 CB LYS A 34 2.324 4.201 11.065 1.00 0.00 C ATOM 518 CG LYS A 34 2.506 5.565 11.731 1.00 0.00 C ATOM 519 CD LYS A 34 3.086 5.377 13.134 1.00 0.00 C ATOM 520 CE LYS A 34 3.163 6.730 13.841 1.00 0.00 C ATOM 521 NZ LYS A 34 3.995 7.666 13.032 1.00 0.00 N ATOM 0 H LYS A 34 -0.174 4.470 10.541 1.00 0.00 H new ATOM 0 HA LYS A 34 2.322 5.127 9.119 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.665 3.576 11.668 1.00 0.00 H new ATOM 0 HB3 LYS A 34 3.282 3.685 11.001 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.171 6.188 11.132 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.549 6.084 11.788 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.463 4.690 13.707 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.078 4.931 13.072 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.162 7.140 13.976 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.594 6.609 14.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.317 8.452 13.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.821 7.159 12.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.429 8.041 12.244 1.00 0.00 H new ATOM 535 N SER A 35 2.945 2.734 8.373 1.00 0.00 N ATOM 536 CA SER A 35 3.110 1.489 7.627 1.00 0.00 C ATOM 537 C SER A 35 3.363 0.322 8.574 1.00 0.00 C ATOM 538 O SER A 35 3.640 0.516 9.757 1.00 0.00 O ATOM 539 CB SER A 35 4.280 1.620 6.653 1.00 0.00 C ATOM 540 OG SER A 35 3.895 2.457 5.574 1.00 0.00 O ATOM 0 H SER A 35 3.787 3.306 8.436 1.00 0.00 H new ATOM 0 HA SER A 35 2.192 1.296 7.072 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.148 2.039 7.162 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.572 0.638 6.281 1.00 0.00 H new ATOM 0 HG SER A 35 3.962 1.958 4.733 1.00 0.00 H new ATOM 546 N MET A 36 3.274 -0.893 8.038 1.00 0.00 N ATOM 547 CA MET A 36 3.502 -2.099 8.831 1.00 0.00 C ATOM 548 C MET A 36 4.189 -3.154 7.967 1.00 0.00 C ATOM 549 O MET A 36 3.607 -3.663 7.015 1.00 0.00 O ATOM 550 CB MET A 36 2.158 -2.633 9.361 1.00 0.00 C ATOM 551 CG MET A 36 1.766 -1.885 10.641 1.00 0.00 C ATOM 552 SD MET A 36 2.885 -2.357 11.984 1.00 0.00 S ATOM 553 CE MET A 36 1.954 -1.592 13.334 1.00 0.00 C ATOM 0 H MET A 36 3.046 -1.069 7.059 1.00 0.00 H new ATOM 0 HA MET A 36 4.144 -1.863 9.680 1.00 0.00 H new ATOM 0 HB2 MET A 36 1.383 -2.507 8.605 1.00 0.00 H new ATOM 0 HB3 MET A 36 2.236 -3.701 9.563 1.00 0.00 H new ATOM 0 HG2 MET A 36 1.814 -0.809 10.475 1.00 0.00 H new ATOM 0 HG3 MET A 36 0.737 -2.120 10.912 1.00 0.00 H new ATOM 0 HE1 MET A 36 2.474 -1.763 14.277 1.00 0.00 H new ATOM 0 HE2 MET A 36 1.869 -0.520 13.156 1.00 0.00 H new ATOM 0 HE3 MET A 36 0.958 -2.032 13.384 1.00 0.00 H new ATOM 563 N ASN A 37 5.437 -3.462 8.300 1.00 0.00 N ATOM 564 CA ASN A 37 6.204 -4.443 7.538 1.00 0.00 C ATOM 565 C ASN A 37 5.434 -5.752 7.388 1.00 0.00 C ATOM 566 O ASN A 37 4.839 -6.250 8.343 1.00 0.00 O ATOM 567 CB ASN A 37 7.540 -4.713 8.232 1.00 0.00 C ATOM 568 CG ASN A 37 8.511 -5.383 7.264 1.00 0.00 C ATOM 569 OD1 ASN A 37 9.652 -4.947 7.126 1.00 0.00 O ATOM 570 ND2 ASN A 37 8.119 -6.424 6.580 1.00 0.00 N ATOM 0 H ASN A 37 5.938 -3.050 9.087 1.00 0.00 H new ATOM 0 HA ASN A 37 6.381 -4.033 6.544 1.00 0.00 H new ATOM 0 HB2 ASN A 37 7.965 -3.777 8.595 1.00 0.00 H new ATOM 0 HB3 ASN A 37 7.384 -5.351 9.102 1.00 0.00 H new ATOM 0 HD21 ASN A 37 8.760 -6.878 5.929 1.00 0.00 H new ATOM 0 HD22 ASN A 37 7.172 -6.784 6.697 1.00 0.00 H new ATOM 577 N MET A 38 5.463 -6.308 6.175 1.00 0.00 N ATOM 578 CA MET A 38 4.781 -7.570 5.892 1.00 0.00 C ATOM 579 C MET A 38 5.581 -8.383 4.858 1.00 0.00 C ATOM 580 O MET A 38 5.704 -7.955 3.710 1.00 0.00 O ATOM 581 CB MET A 38 3.385 -7.302 5.328 1.00 0.00 C ATOM 582 CG MET A 38 2.720 -8.642 5.018 1.00 0.00 C ATOM 583 SD MET A 38 0.943 -8.423 4.741 1.00 0.00 S ATOM 584 CE MET A 38 0.335 -9.200 6.260 1.00 0.00 C ATOM 0 H MET A 38 5.951 -5.904 5.375 1.00 0.00 H new ATOM 0 HA MET A 38 4.700 -8.131 6.823 1.00 0.00 H new ATOM 0 HB2 MET A 38 2.788 -6.740 6.047 1.00 0.00 H new ATOM 0 HB3 MET A 38 3.452 -6.695 4.425 1.00 0.00 H new ATOM 0 HG2 MET A 38 3.179 -9.086 4.135 1.00 0.00 H new ATOM 0 HG3 MET A 38 2.882 -9.334 5.844 1.00 0.00 H new ATOM 0 HE1 MET A 38 -0.755 -9.228 6.243 1.00 0.00 H new ATOM 0 HE2 MET A 38 0.723 -10.216 6.329 1.00 0.00 H new ATOM 0 HE3 MET A 38 0.670 -8.624 7.123 1.00 0.00 H new ATOM 594 N PRO A 39 6.126 -9.534 5.212 1.00 0.00 N ATOM 595 CA PRO A 39 6.909 -10.362 4.244 1.00 0.00 C ATOM 596 C PRO A 39 6.155 -10.579 2.934 1.00 0.00 C ATOM 597 O PRO A 39 4.946 -10.809 2.934 1.00 0.00 O ATOM 598 CB PRO A 39 7.121 -11.696 4.980 1.00 0.00 C ATOM 599 CG PRO A 39 7.028 -11.361 6.435 1.00 0.00 C ATOM 600 CD PRO A 39 6.069 -10.170 6.544 1.00 0.00 C ATOM 0 HA PRO A 39 7.843 -9.878 3.959 1.00 0.00 H new ATOM 0 HB2 PRO A 39 6.364 -12.427 4.695 1.00 0.00 H new ATOM 0 HB3 PRO A 39 8.091 -12.130 4.737 1.00 0.00 H new ATOM 0 HG2 PRO A 39 6.657 -12.212 7.007 1.00 0.00 H new ATOM 0 HG3 PRO A 39 8.008 -11.109 6.839 1.00 0.00 H new ATOM 0 HD2 PRO A 39 5.057 -10.495 6.787 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.379 -9.480 7.328 1.00 0.00 H new ATOM 608 N GLU A 40 6.878 -10.515 1.822 1.00 0.00 N ATOM 609 CA GLU A 40 6.258 -10.721 0.520 1.00 0.00 C ATOM 610 C GLU A 40 5.718 -12.144 0.419 1.00 0.00 C ATOM 611 O GLU A 40 6.441 -13.110 0.656 1.00 0.00 O ATOM 612 CB GLU A 40 7.276 -10.472 -0.596 1.00 0.00 C ATOM 613 CG GLU A 40 8.448 -11.450 -0.455 1.00 0.00 C ATOM 614 CD GLU A 40 9.633 -10.965 -1.283 1.00 0.00 C ATOM 615 OE1 GLU A 40 9.413 -10.542 -2.406 1.00 0.00 O ATOM 616 OE2 GLU A 40 10.745 -11.026 -0.783 1.00 0.00 O ATOM 0 H GLU A 40 7.880 -10.325 1.795 1.00 0.00 H new ATOM 0 HA GLU A 40 5.433 -10.017 0.410 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.801 -10.597 -1.569 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.639 -9.445 -0.548 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.737 -11.536 0.593 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.145 -12.444 -0.785 1.00 0.00 H new ATOM 623 N GLY A 41 4.439 -12.268 0.070 1.00 0.00 N ATOM 624 CA GLY A 41 3.801 -13.580 -0.058 1.00 0.00 C ATOM 625 C GLY A 41 2.813 -13.826 1.079 1.00 0.00 C ATOM 626 O GLY A 41 2.024 -14.768 1.032 1.00 0.00 O ATOM 0 H GLY A 41 3.824 -11.479 -0.129 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.282 -13.643 -1.014 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.563 -14.360 -0.057 1.00 0.00 H new ATOM 630 N LYS A 42 2.856 -12.970 2.099 1.00 0.00 N ATOM 631 CA LYS A 42 1.948 -13.113 3.232 1.00 0.00 C ATOM 632 C LYS A 42 0.537 -12.709 2.808 1.00 0.00 C ATOM 633 O LYS A 42 0.027 -11.660 3.197 1.00 0.00 O ATOM 634 CB LYS A 42 2.438 -12.251 4.416 1.00 0.00 C ATOM 635 CG LYS A 42 3.432 -13.051 5.286 1.00 0.00 C ATOM 636 CD LYS A 42 2.673 -13.842 6.358 1.00 0.00 C ATOM 637 CE LYS A 42 3.590 -14.918 6.948 1.00 0.00 C ATOM 638 NZ LYS A 42 2.927 -15.545 8.126 1.00 0.00 N ATOM 0 H LYS A 42 3.500 -12.182 2.163 1.00 0.00 H new ATOM 0 HA LYS A 42 1.930 -14.153 3.557 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.918 -11.346 4.042 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.588 -11.934 5.021 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.009 -13.732 4.660 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.143 -12.372 5.758 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.330 -13.171 7.145 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.786 -14.304 5.924 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.811 -15.675 6.196 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.542 -14.477 7.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.549 -16.276 8.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.738 -14.818 8.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.030 -15.979 7.829 1.00 0.00 H new ATOM 652 N VAL A 43 -0.064 -13.566 1.989 1.00 0.00 N ATOM 653 CA VAL A 43 -1.412 -13.344 1.463 1.00 0.00 C ATOM 654 C VAL A 43 -2.300 -12.576 2.438 1.00 0.00 C ATOM 655 O VAL A 43 -2.399 -12.924 3.615 1.00 0.00 O ATOM 656 CB VAL A 43 -2.065 -14.688 1.142 1.00 0.00 C ATOM 657 CG1 VAL A 43 -3.393 -14.452 0.418 1.00 0.00 C ATOM 658 CG2 VAL A 43 -1.133 -15.505 0.242 1.00 0.00 C ATOM 0 H VAL A 43 0.367 -14.434 1.670 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.311 -12.740 0.561 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.248 -15.233 2.068 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.858 -15.411 0.189 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.057 -13.870 1.057 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.211 -13.907 -0.508 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.598 -16.464 0.012 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.950 -14.959 -0.684 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.187 -15.674 0.756 1.00 0.00 H new ATOM 668 N MET A 44 -2.964 -11.539 1.923 1.00 0.00 N ATOM 669 CA MET A 44 -3.875 -10.722 2.725 1.00 0.00 C ATOM 670 C MET A 44 -5.293 -10.915 2.198 1.00 0.00 C ATOM 671 O MET A 44 -5.485 -11.173 1.010 1.00 0.00 O ATOM 672 CB MET A 44 -3.496 -9.239 2.629 1.00 0.00 C ATOM 673 CG MET A 44 -1.993 -9.036 2.844 1.00 0.00 C ATOM 674 SD MET A 44 -1.499 -7.420 2.174 1.00 0.00 S ATOM 675 CE MET A 44 -1.690 -7.797 0.414 1.00 0.00 C ATOM 0 H MET A 44 -2.887 -11.245 0.949 1.00 0.00 H new ATOM 0 HA MET A 44 -3.809 -11.030 3.769 1.00 0.00 H new ATOM 0 HB2 MET A 44 -3.782 -8.850 1.652 1.00 0.00 H new ATOM 0 HB3 MET A 44 -4.053 -8.670 3.373 1.00 0.00 H new ATOM 0 HG2 MET A 44 -1.756 -9.089 3.907 1.00 0.00 H new ATOM 0 HG3 MET A 44 -1.434 -9.832 2.353 1.00 0.00 H new ATOM 0 HE1 MET A 44 -1.086 -7.106 -0.174 1.00 0.00 H new ATOM 0 HE2 MET A 44 -1.362 -8.819 0.223 1.00 0.00 H new ATOM 0 HE3 MET A 44 -2.738 -7.694 0.131 1.00 0.00 H new ATOM 685 N GLU A 45 -6.285 -10.799 3.078 1.00 0.00 N ATOM 686 CA GLU A 45 -7.686 -10.975 2.676 1.00 0.00 C ATOM 687 C GLU A 45 -8.530 -9.786 3.113 1.00 0.00 C ATOM 688 O GLU A 45 -8.590 -9.458 4.297 1.00 0.00 O ATOM 689 CB GLU A 45 -8.248 -12.252 3.305 1.00 0.00 C ATOM 690 CG GLU A 45 -9.665 -12.497 2.784 1.00 0.00 C ATOM 691 CD GLU A 45 -10.174 -13.850 3.272 1.00 0.00 C ATOM 692 OE1 GLU A 45 -10.677 -13.905 4.381 1.00 0.00 O ATOM 693 OE2 GLU A 45 -10.051 -14.809 2.529 1.00 0.00 O ATOM 0 H GLU A 45 -6.151 -10.586 4.066 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.722 -11.049 1.589 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.608 -13.101 3.063 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.259 -12.161 4.391 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.330 -11.704 3.127 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.671 -12.469 1.694 1.00 0.00 H new ATOM 700 N THR A 46 -9.181 -9.142 2.148 1.00 0.00 N ATOM 701 CA THR A 46 -10.021 -7.988 2.449 1.00 0.00 C ATOM 702 C THR A 46 -11.379 -8.422 2.990 1.00 0.00 C ATOM 703 O THR A 46 -11.737 -9.598 2.926 1.00 0.00 O ATOM 704 CB THR A 46 -10.216 -7.144 1.193 1.00 0.00 C ATOM 705 OG1 THR A 46 -11.019 -7.859 0.264 1.00 0.00 O ATOM 706 CG2 THR A 46 -8.852 -6.843 0.574 1.00 0.00 C ATOM 0 H THR A 46 -9.144 -9.397 1.161 1.00 0.00 H new ATOM 0 HA THR A 46 -9.519 -7.396 3.214 1.00 0.00 H new ATOM 0 HB THR A 46 -10.712 -6.208 1.450 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.534 -7.226 -0.278 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.985 -6.240 -0.324 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.240 -6.296 1.291 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.357 -7.778 0.313 1.00 0.00 H new ATOM 714 N ARG A 47 -12.129 -7.463 3.525 1.00 0.00 N ATOM 715 CA ARG A 47 -13.447 -7.752 4.076 1.00 0.00 C ATOM 716 C ARG A 47 -14.323 -8.442 3.035 1.00 0.00 C ATOM 717 O ARG A 47 -15.089 -9.349 3.356 1.00 0.00 O ATOM 718 CB ARG A 47 -14.122 -6.457 4.529 1.00 0.00 C ATOM 719 CG ARG A 47 -13.235 -5.748 5.557 1.00 0.00 C ATOM 720 CD ARG A 47 -13.717 -4.308 5.740 1.00 0.00 C ATOM 721 NE ARG A 47 -12.972 -3.658 6.813 1.00 0.00 N ATOM 722 CZ ARG A 47 -13.360 -2.489 7.308 1.00 0.00 C ATOM 723 NH1 ARG A 47 -14.426 -1.901 6.836 1.00 0.00 N ATOM 724 NH2 ARG A 47 -12.676 -1.927 8.268 1.00 0.00 N ATOM 0 H ARG A 47 -11.848 -6.485 3.588 1.00 0.00 H new ATOM 0 HA ARG A 47 -13.322 -8.416 4.932 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -14.295 -5.806 3.672 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -15.097 -6.676 4.964 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -13.269 -6.278 6.509 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -12.197 -5.756 5.224 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -13.588 -3.753 4.811 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -14.782 -4.300 5.971 1.00 0.00 H new ATOM 0 HE ARG A 47 -12.139 -4.110 7.189 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -14.961 -2.340 6.087 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -14.724 -1.003 7.217 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -11.844 -2.386 8.637 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -12.974 -1.029 8.648 1.00 0.00 H new ATOM 738 N ASP A 48 -14.198 -8.009 1.784 1.00 0.00 N ATOM 739 CA ASP A 48 -14.981 -8.595 0.703 1.00 0.00 C ATOM 740 C ASP A 48 -14.444 -9.977 0.355 1.00 0.00 C ATOM 741 O ASP A 48 -14.974 -10.660 -0.522 1.00 0.00 O ATOM 742 CB ASP A 48 -14.923 -7.696 -0.533 1.00 0.00 C ATOM 743 CG ASP A 48 -15.737 -8.313 -1.664 1.00 0.00 C ATOM 744 OD1 ASP A 48 -16.924 -8.038 -1.733 1.00 0.00 O ATOM 745 OD2 ASP A 48 -15.162 -9.053 -2.446 1.00 0.00 O ATOM 0 H ASP A 48 -13.567 -7.261 1.496 1.00 0.00 H new ATOM 0 HA ASP A 48 -16.016 -8.687 1.032 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -15.312 -6.707 -0.292 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -13.888 -7.564 -0.849 1.00 0.00 H new ATOM 750 N GLY A 49 -13.387 -10.385 1.051 1.00 0.00 N ATOM 751 CA GLY A 49 -12.783 -11.688 0.810 1.00 0.00 C ATOM 752 C GLY A 49 -11.918 -11.665 -0.446 1.00 0.00 C ATOM 753 O GLY A 49 -11.790 -12.674 -1.140 1.00 0.00 O ATOM 0 H GLY A 49 -12.935 -9.835 1.781 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.176 -11.976 1.669 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.564 -12.441 0.704 1.00 0.00 H new ATOM 757 N THR A 50 -11.325 -10.509 -0.733 1.00 0.00 N ATOM 758 CA THR A 50 -10.470 -10.370 -1.910 1.00 0.00 C ATOM 759 C THR A 50 -9.058 -10.840 -1.593 1.00 0.00 C ATOM 760 O THR A 50 -8.373 -10.254 -0.752 1.00 0.00 O ATOM 761 CB THR A 50 -10.433 -8.907 -2.362 1.00 0.00 C ATOM 762 OG1 THR A 50 -11.750 -8.378 -2.357 1.00 0.00 O ATOM 763 CG2 THR A 50 -9.851 -8.821 -3.775 1.00 0.00 C ATOM 0 H THR A 50 -11.419 -9.662 -0.173 1.00 0.00 H new ATOM 0 HA THR A 50 -10.879 -10.985 -2.712 1.00 0.00 H new ATOM 0 HB THR A 50 -9.808 -8.332 -1.679 1.00 0.00 H new ATOM 0 HG1 THR A 50 -11.727 -7.441 -2.644 1.00 0.00 H new ATOM 0 HG21 THR A 50 -9.825 -7.779 -4.095 1.00 0.00 H new ATOM 0 HG22 THR A 50 -8.839 -9.226 -3.777 1.00 0.00 H new ATOM 0 HG23 THR A 50 -10.473 -9.396 -4.461 1.00 0.00 H new ATOM 771 N LYS A 51 -8.621 -11.896 -2.270 1.00 0.00 N ATOM 772 CA LYS A 51 -7.283 -12.428 -2.044 1.00 0.00 C ATOM 773 C LYS A 51 -6.243 -11.559 -2.740 1.00 0.00 C ATOM 774 O LYS A 51 -6.131 -11.563 -3.965 1.00 0.00 O ATOM 775 CB LYS A 51 -7.192 -13.863 -2.570 1.00 0.00 C ATOM 776 CG LYS A 51 -5.834 -14.466 -2.189 1.00 0.00 C ATOM 777 CD LYS A 51 -5.718 -15.886 -2.762 1.00 0.00 C ATOM 778 CE LYS A 51 -6.749 -16.814 -2.103 1.00 0.00 C ATOM 779 NZ LYS A 51 -6.280 -18.224 -2.211 1.00 0.00 N ATOM 0 H LYS A 51 -9.167 -12.396 -2.972 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.086 -12.426 -0.972 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.999 -14.466 -2.153 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.314 -13.872 -3.653 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.027 -13.842 -2.573 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.728 -14.492 -1.104 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -5.876 -15.864 -3.840 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.712 -16.272 -2.595 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.884 -16.542 -1.056 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.719 -16.703 -2.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -6.975 -18.856 -1.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.173 -18.478 -3.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.364 -18.323 -1.729 1.00 0.00 H new ATOM 793 N ILE A 52 -5.474 -10.821 -1.941 1.00 0.00 N ATOM 794 CA ILE A 52 -4.424 -9.947 -2.468 1.00 0.00 C ATOM 795 C ILE A 52 -3.086 -10.326 -1.835 1.00 0.00 C ATOM 796 O ILE A 52 -2.978 -10.450 -0.616 1.00 0.00 O ATOM 797 CB ILE A 52 -4.766 -8.473 -2.168 1.00 0.00 C ATOM 798 CG1 ILE A 52 -5.545 -8.376 -0.860 1.00 0.00 C ATOM 799 CG2 ILE A 52 -5.640 -7.894 -3.277 1.00 0.00 C ATOM 800 CD1 ILE A 52 -5.646 -6.912 -0.437 1.00 0.00 C ATOM 0 H ILE A 52 -5.558 -10.810 -0.924 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.354 -10.070 -3.549 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.831 -7.917 -2.099 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -6.542 -8.799 -0.985 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.047 -8.957 -0.084 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.873 -6.853 -3.051 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.107 -7.949 -4.226 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.565 -8.466 -3.347 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -6.202 -6.841 0.498 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.645 -6.504 -0.295 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.163 -6.344 -1.211 1.00 0.00 H new ATOM 812 N ILE A 53 -2.076 -10.530 -2.678 1.00 0.00 N ATOM 813 CA ILE A 53 -0.747 -10.919 -2.204 1.00 0.00 C ATOM 814 C ILE A 53 0.118 -9.699 -1.908 1.00 0.00 C ATOM 815 O ILE A 53 0.072 -8.702 -2.628 1.00 0.00 O ATOM 816 CB ILE A 53 -0.057 -11.786 -3.257 1.00 0.00 C ATOM 817 CG1 ILE A 53 -0.955 -12.979 -3.600 1.00 0.00 C ATOM 818 CG2 ILE A 53 1.277 -12.297 -2.707 1.00 0.00 C ATOM 819 CD1 ILE A 53 -0.360 -13.742 -4.786 1.00 0.00 C ATOM 0 H ILE A 53 -2.151 -10.433 -3.691 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.872 -11.482 -1.279 1.00 0.00 H new ATOM 0 HB ILE A 53 0.124 -11.193 -4.154 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.045 -13.639 -2.738 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.960 -12.633 -3.843 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.768 -12.915 -3.459 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.917 -11.450 -2.459 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.098 -12.890 -1.810 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.999 -14.591 -5.030 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.293 -13.079 -5.648 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.636 -14.101 -4.525 1.00 0.00 H new ATOM 831 N MET A 54 0.916 -9.798 -0.849 1.00 0.00 N ATOM 832 CA MET A 54 1.804 -8.710 -0.469 1.00 0.00 C ATOM 833 C MET A 54 2.955 -8.612 -1.466 1.00 0.00 C ATOM 834 O MET A 54 4.009 -9.217 -1.276 1.00 0.00 O ATOM 835 CB MET A 54 2.351 -8.949 0.945 1.00 0.00 C ATOM 836 CG MET A 54 3.168 -7.736 1.401 1.00 0.00 C ATOM 837 SD MET A 54 2.068 -6.324 1.684 1.00 0.00 S ATOM 838 CE MET A 54 3.116 -5.027 0.983 1.00 0.00 C ATOM 0 H MET A 54 0.964 -10.617 -0.243 1.00 0.00 H new ATOM 0 HA MET A 54 1.246 -7.774 -0.476 1.00 0.00 H new ATOM 0 HB2 MET A 54 1.528 -9.125 1.638 1.00 0.00 H new ATOM 0 HB3 MET A 54 2.974 -9.843 0.957 1.00 0.00 H new ATOM 0 HG2 MET A 54 3.710 -7.975 2.316 1.00 0.00 H new ATOM 0 HG3 MET A 54 3.912 -7.483 0.646 1.00 0.00 H new ATOM 0 HE1 MET A 54 2.624 -4.061 1.095 1.00 0.00 H new ATOM 0 HE2 MET A 54 4.072 -5.010 1.506 1.00 0.00 H new ATOM 0 HE3 MET A 54 3.284 -5.228 -0.075 1.00 0.00 H new ATOM 848 N LYS A 55 2.735 -7.854 -2.534 1.00 0.00 N ATOM 849 CA LYS A 55 3.746 -7.684 -3.566 1.00 0.00 C ATOM 850 C LYS A 55 4.767 -6.626 -3.156 1.00 0.00 C ATOM 851 O LYS A 55 5.958 -6.909 -3.021 1.00 0.00 O ATOM 852 CB LYS A 55 3.064 -7.257 -4.873 1.00 0.00 C ATOM 853 CG LYS A 55 4.079 -7.210 -6.027 1.00 0.00 C ATOM 854 CD LYS A 55 4.609 -8.635 -6.357 1.00 0.00 C ATOM 855 CE LYS A 55 6.042 -8.829 -5.822 1.00 0.00 C ATOM 856 NZ LYS A 55 7.018 -8.329 -6.830 1.00 0.00 N ATOM 0 H LYS A 55 1.866 -7.349 -2.706 1.00 0.00 H new ATOM 0 HA LYS A 55 4.267 -8.631 -3.706 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.263 -7.955 -5.115 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.605 -6.277 -4.746 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.611 -6.778 -6.911 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.912 -6.561 -5.758 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.949 -9.383 -5.918 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.595 -8.791 -7.436 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.167 -8.292 -4.881 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.225 -9.883 -5.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.985 -8.459 -6.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.904 -8.860 -7.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.847 -7.318 -7.007 1.00 0.00 H new ATOM 870 N GLY A 56 4.288 -5.402 -2.978 1.00 0.00 N ATOM 871 CA GLY A 56 5.153 -4.289 -2.608 1.00 0.00 C ATOM 872 C GLY A 56 5.590 -4.352 -1.147 1.00 0.00 C ATOM 873 O GLY A 56 5.041 -3.646 -0.302 1.00 0.00 O ATOM 0 H GLY A 56 3.304 -5.154 -3.084 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.035 -4.289 -3.248 1.00 0.00 H new ATOM 0 HA3 GLY A 56 4.629 -3.350 -2.788 1.00 0.00 H new ATOM 877 N ASN A 57 6.593 -5.174 -0.852 1.00 0.00 N ATOM 878 CA ASN A 57 7.085 -5.273 0.518 1.00 0.00 C ATOM 879 C ASN A 57 7.907 -4.037 0.867 1.00 0.00 C ATOM 880 O ASN A 57 8.275 -3.827 2.022 1.00 0.00 O ATOM 881 CB ASN A 57 7.936 -6.532 0.698 1.00 0.00 C ATOM 882 CG ASN A 57 8.515 -6.563 2.109 1.00 0.00 C ATOM 883 OD1 ASN A 57 9.574 -7.148 2.336 1.00 0.00 O ATOM 884 ND2 ASN A 57 7.875 -5.965 3.078 1.00 0.00 N ATOM 0 H ASN A 57 7.072 -5.770 -1.527 1.00 0.00 H new ATOM 0 HA ASN A 57 6.228 -5.336 1.188 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.329 -7.421 0.524 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.741 -6.547 -0.036 1.00 0.00 H new ATOM 0 HD21 ASN A 57 8.253 -5.982 4.025 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.998 -5.481 2.887 1.00 0.00 H new ATOM 891 N GLU A 58 8.183 -3.214 -0.142 1.00 0.00 N ATOM 892 CA GLU A 58 8.954 -1.991 0.062 1.00 0.00 C ATOM 893 C GLU A 58 8.046 -0.875 0.570 1.00 0.00 C ATOM 894 O GLU A 58 7.760 0.084 -0.146 1.00 0.00 O ATOM 895 CB GLU A 58 9.610 -1.559 -1.252 1.00 0.00 C ATOM 896 CG GLU A 58 10.576 -2.647 -1.721 1.00 0.00 C ATOM 897 CD GLU A 58 9.796 -3.867 -2.201 1.00 0.00 C ATOM 898 OE1 GLU A 58 9.232 -3.796 -3.281 1.00 0.00 O ATOM 899 OE2 GLU A 58 9.776 -4.853 -1.484 1.00 0.00 O ATOM 0 H GLU A 58 7.886 -3.371 -1.105 1.00 0.00 H new ATOM 0 HA GLU A 58 9.728 -2.187 0.804 1.00 0.00 H new ATOM 0 HB2 GLU A 58 8.848 -1.383 -2.011 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.144 -0.619 -1.113 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.202 -2.265 -2.527 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.242 -2.929 -0.906 1.00 0.00 H new ATOM 906 N ILE A 59 7.593 -1.014 1.811 1.00 0.00 N ATOM 907 CA ILE A 59 6.710 -0.021 2.415 1.00 0.00 C ATOM 908 C ILE A 59 7.457 1.280 2.691 1.00 0.00 C ATOM 909 O ILE A 59 6.846 2.305 2.994 1.00 0.00 O ATOM 910 CB ILE A 59 6.148 -0.571 3.724 1.00 0.00 C ATOM 911 CG1 ILE A 59 7.297 -1.107 4.581 1.00 0.00 C ATOM 912 CG2 ILE A 59 5.166 -1.705 3.425 1.00 0.00 C ATOM 913 CD1 ILE A 59 6.805 -1.357 6.007 1.00 0.00 C ATOM 0 H ILE A 59 7.821 -1.802 2.417 1.00 0.00 H new ATOM 0 HA ILE A 59 5.899 0.188 1.718 1.00 0.00 H new ATOM 0 HB ILE A 59 5.630 0.224 4.260 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.682 -2.032 4.152 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.120 -0.393 4.590 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.766 -2.096 4.361 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.349 -1.326 2.811 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.682 -2.502 2.890 1.00 0.00 H new ATOM 0 HD11 ILE A 59 7.626 -1.739 6.614 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.441 -0.423 6.435 1.00 0.00 H new ATOM 0 HD13 ILE A 59 5.996 -2.088 5.990 1.00 0.00 H new ATOM 925 N PHE A 60 8.780 1.230 2.594 1.00 0.00 N ATOM 926 CA PHE A 60 9.603 2.410 2.845 1.00 0.00 C ATOM 927 C PHE A 60 9.077 3.619 2.077 1.00 0.00 C ATOM 928 O PHE A 60 9.255 4.759 2.507 1.00 0.00 O ATOM 929 CB PHE A 60 11.049 2.133 2.432 1.00 0.00 C ATOM 930 CG PHE A 60 11.604 1.001 3.264 1.00 0.00 C ATOM 931 CD1 PHE A 60 12.237 1.273 4.483 1.00 0.00 C ATOM 932 CD2 PHE A 60 11.487 -0.320 2.817 1.00 0.00 C ATOM 933 CE1 PHE A 60 12.752 0.224 5.254 1.00 0.00 C ATOM 934 CE2 PHE A 60 12.001 -1.369 3.587 1.00 0.00 C ATOM 935 CZ PHE A 60 12.634 -1.096 4.806 1.00 0.00 C ATOM 0 H PHE A 60 9.305 0.391 2.345 1.00 0.00 H new ATOM 0 HA PHE A 60 9.561 2.632 3.911 1.00 0.00 H new ATOM 0 HB2 PHE A 60 11.093 1.876 1.374 1.00 0.00 H new ATOM 0 HB3 PHE A 60 11.655 3.029 2.568 1.00 0.00 H new ATOM 0 HD1 PHE A 60 12.328 2.292 4.829 1.00 0.00 H new ATOM 0 HD2 PHE A 60 10.999 -0.530 1.877 1.00 0.00 H new ATOM 0 HE1 PHE A 60 13.240 0.434 6.194 1.00 0.00 H new ATOM 0 HE2 PHE A 60 11.910 -2.388 3.242 1.00 0.00 H new ATOM 0 HZ PHE A 60 13.031 -1.905 5.401 1.00 0.00 H new ATOM 945 N ARG A 61 8.442 3.370 0.937 1.00 0.00 N ATOM 946 CA ARG A 61 7.911 4.456 0.118 1.00 0.00 C ATOM 947 C ARG A 61 6.905 5.293 0.903 1.00 0.00 C ATOM 948 O ARG A 61 7.007 6.520 0.943 1.00 0.00 O ATOM 949 CB ARG A 61 7.239 3.886 -1.135 1.00 0.00 C ATOM 950 CG ARG A 61 8.241 3.038 -1.937 1.00 0.00 C ATOM 951 CD ARG A 61 9.105 3.935 -2.832 1.00 0.00 C ATOM 952 NE ARG A 61 8.265 4.749 -3.702 1.00 0.00 N ATOM 953 CZ ARG A 61 8.798 5.572 -4.598 1.00 0.00 C ATOM 954 NH1 ARG A 61 10.096 5.660 -4.712 1.00 0.00 N ATOM 955 NH2 ARG A 61 8.025 6.292 -5.366 1.00 0.00 N ATOM 0 H ARG A 61 8.283 2.435 0.561 1.00 0.00 H new ATOM 0 HA ARG A 61 8.742 5.098 -0.173 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.381 3.276 -0.851 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.861 4.699 -1.755 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.877 2.473 -1.255 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.705 2.312 -2.548 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.731 4.579 -2.215 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.775 3.321 -3.434 1.00 0.00 H new ATOM 0 HE ARG A 61 7.250 4.685 -3.621 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.700 5.097 -4.113 1.00 0.00 H new ATOM 0 HH12 ARG A 61 10.506 6.292 -5.400 1.00 0.00 H new ATOM 0 HH21 ARG A 61 7.011 6.223 -5.278 1.00 0.00 H new ATOM 0 HH22 ARG A 61 8.435 6.924 -6.054 1.00 0.00 H new ATOM 969 N LEU A 62 5.936 4.632 1.531 1.00 0.00 N ATOM 970 CA LEU A 62 4.928 5.344 2.308 1.00 0.00 C ATOM 971 C LEU A 62 5.595 6.111 3.453 1.00 0.00 C ATOM 972 O LEU A 62 5.370 7.308 3.627 1.00 0.00 O ATOM 973 CB LEU A 62 3.903 4.340 2.865 1.00 0.00 C ATOM 974 CG LEU A 62 2.535 5.012 3.057 1.00 0.00 C ATOM 975 CD1 LEU A 62 1.561 4.007 3.677 1.00 0.00 C ATOM 976 CD2 LEU A 62 2.675 6.229 3.982 1.00 0.00 C ATOM 0 H LEU A 62 5.828 3.618 1.518 1.00 0.00 H new ATOM 0 HA LEU A 62 4.414 6.058 1.664 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.806 3.495 2.183 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.256 3.943 3.817 1.00 0.00 H new ATOM 0 HG LEU A 62 2.156 5.342 2.090 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.589 4.480 3.815 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.456 3.147 3.016 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.944 3.677 4.643 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.701 6.700 4.113 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.056 5.907 4.951 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.368 6.945 3.539 1.00 0.00 H new