USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 493 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 39 LYS NZ :NH3+ -149:sc= 0.984 (180deg=-0.0784) USER MOD Set 1.2: A 43 ASN : amide:sc= 1.9 K(o=2.9,f=-7.5!) USER MOD Set 2.1: A 12 THR OG1 : rot 74:sc= 1.26 USER MOD Set 2.2: A 52 LYS NZ :NH3+ -157:sc= -0.281! (180deg=-1.28!) USER MOD Single : A 16 THR OG1 : rot 29:sc= 0.147 USER MOD Single : A 19 ASN : amide:sc= 0.727 K(o=0.73,f=-4.9!) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -169:sc= 0.531 (180deg=0.272!) USER MOD Single : A 28 ASN : amide:sc= -0.258 K(o=-0.26,f=-3!) USER MOD Single : A 30 HIS : no HE2:sc= -0.437 K(o=-0.44,f=-4.1!) USER MOD Single : A 35 HIS : no HE2:sc= 0.237 K(o=0.24,f=-4.1!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot -170:sc= -0.112 USER MOD Single : A 57 MET CE :methyl 145:sc= -4.31! (180deg=-6.21!) USER MOD Single : A 58 SER OG : rot 138:sc= 1.34 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 108:sc= 1.06 USER MOD Single : A 68 THR OG1 : rot -135:sc= 1.31 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 81 N VAL A 6 7.768 -9.593 5.758 1.00 0.00 N ATOM 82 CA VAL A 6 6.988 -8.426 5.487 1.00 0.00 C ATOM 83 C VAL A 6 6.279 -8.752 4.190 1.00 0.00 C ATOM 84 O VAL A 6 6.835 -9.480 3.368 1.00 0.00 O ATOM 85 CB VAL A 6 7.897 -7.167 5.294 1.00 0.00 C ATOM 86 CG1 VAL A 6 7.071 -5.904 5.062 1.00 0.00 C ATOM 87 CG2 VAL A 6 8.826 -6.981 6.489 1.00 0.00 C ATOM 0 HA VAL A 6 6.307 -8.191 6.305 1.00 0.00 H new ATOM 0 HB VAL A 6 8.502 -7.338 4.403 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.738 -5.052 4.933 1.00 0.00 H new ATOM 0 HG12 VAL A 6 6.462 -6.027 4.167 1.00 0.00 H new ATOM 0 HG13 VAL A 6 6.423 -5.730 5.921 1.00 0.00 H new ATOM 0 HG21 VAL A 6 9.448 -6.100 6.332 1.00 0.00 H new ATOM 0 HG22 VAL A 6 8.233 -6.850 7.394 1.00 0.00 H new ATOM 0 HG23 VAL A 6 9.462 -7.860 6.596 1.00 0.00 H new ATOM 97 N ILE A 7 5.095 -8.264 3.996 1.00 0.00 N ATOM 98 CA ILE A 7 4.359 -8.626 2.818 1.00 0.00 C ATOM 99 C ILE A 7 4.397 -7.483 1.831 1.00 0.00 C ATOM 100 O ILE A 7 4.097 -6.337 2.175 1.00 0.00 O ATOM 101 CB ILE A 7 2.886 -9.013 3.160 1.00 0.00 C ATOM 102 CG1 ILE A 7 2.848 -10.207 4.135 1.00 0.00 C ATOM 103 CG2 ILE A 7 2.081 -9.329 1.901 1.00 0.00 C ATOM 104 CD1 ILE A 7 3.522 -11.474 3.626 1.00 0.00 C ATOM 0 H ILE A 7 4.618 -7.621 4.628 1.00 0.00 H new ATOM 0 HA ILE A 7 4.827 -9.504 2.372 1.00 0.00 H new ATOM 0 HB ILE A 7 2.425 -8.151 3.643 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.325 -9.910 5.069 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.808 -10.435 4.367 1.00 0.00 H new ATOM 0 HG21 ILE A 7 1.061 -9.594 2.178 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.065 -8.454 1.251 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.542 -10.164 1.374 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.443 -12.256 4.381 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.032 -11.804 2.710 1.00 0.00 H new ATOM 0 HD13 ILE A 7 4.573 -11.270 3.423 1.00 0.00 H new ATOM 116 N GLU A 8 4.811 -7.796 0.641 1.00 0.00 N ATOM 117 CA GLU A 8 4.925 -6.845 -0.422 1.00 0.00 C ATOM 118 C GLU A 8 3.747 -7.008 -1.387 1.00 0.00 C ATOM 119 O GLU A 8 3.547 -8.064 -1.984 1.00 0.00 O ATOM 120 CB GLU A 8 6.296 -7.024 -1.111 1.00 0.00 C ATOM 121 CG GLU A 8 6.586 -8.455 -1.576 1.00 0.00 C ATOM 122 CD GLU A 8 8.026 -8.672 -1.975 1.00 0.00 C ATOM 123 OE1 GLU A 8 8.405 -8.291 -3.094 1.00 0.00 O ATOM 124 OE2 GLU A 8 8.788 -9.234 -1.149 1.00 0.00 O ATOM 0 H GLU A 8 5.085 -8.742 0.376 1.00 0.00 H new ATOM 0 HA GLU A 8 4.881 -5.825 -0.039 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.347 -6.357 -1.972 1.00 0.00 H new ATOM 0 HB3 GLU A 8 7.080 -6.713 -0.420 1.00 0.00 H new ATOM 0 HG2 GLU A 8 6.329 -9.149 -0.776 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.942 -8.692 -2.423 1.00 0.00 H new ATOM 131 N LEU A 9 2.941 -5.985 -1.480 1.00 0.00 N ATOM 132 CA LEU A 9 1.769 -5.997 -2.329 1.00 0.00 C ATOM 133 C LEU A 9 1.753 -4.800 -3.240 1.00 0.00 C ATOM 134 O LEU A 9 2.495 -3.841 -3.036 1.00 0.00 O ATOM 135 CB LEU A 9 0.438 -6.075 -1.543 1.00 0.00 C ATOM 136 CG LEU A 9 0.156 -7.359 -0.740 1.00 0.00 C ATOM 137 CD1 LEU A 9 -1.259 -7.335 -0.203 1.00 0.00 C ATOM 138 CD2 LEU A 9 0.366 -8.604 -1.591 1.00 0.00 C ATOM 0 H LEU A 9 3.075 -5.113 -0.968 1.00 0.00 H new ATOM 0 HA LEU A 9 1.843 -6.909 -2.921 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.407 -5.233 -0.851 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.379 -5.936 -2.251 1.00 0.00 H new ATOM 0 HG LEU A 9 0.860 -7.395 0.092 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.449 -8.247 0.363 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.386 -6.470 0.448 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.962 -7.270 -1.033 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.159 -9.492 -0.994 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.308 -8.577 -2.448 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.398 -8.635 -1.942 1.00 0.00 H new ATOM 150 N GLU A 10 0.964 -4.887 -4.260 1.00 0.00 N ATOM 151 CA GLU A 10 0.792 -3.822 -5.202 1.00 0.00 C ATOM 152 C GLU A 10 -0.666 -3.381 -5.049 1.00 0.00 C ATOM 153 O GLU A 10 -1.511 -4.192 -4.604 1.00 0.00 O ATOM 154 CB GLU A 10 1.092 -4.386 -6.599 1.00 0.00 C ATOM 155 CG GLU A 10 1.706 -3.408 -7.597 1.00 0.00 C ATOM 156 CD GLU A 10 0.728 -2.452 -8.213 1.00 0.00 C ATOM 157 OE1 GLU A 10 0.398 -1.442 -7.608 1.00 0.00 O ATOM 158 OE2 GLU A 10 0.292 -2.705 -9.351 1.00 0.00 O ATOM 0 H GLU A 10 0.408 -5.716 -4.469 1.00 0.00 H new ATOM 0 HA GLU A 10 1.452 -2.969 -5.045 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.767 -5.234 -6.489 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.163 -4.770 -7.021 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.486 -2.836 -7.094 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.190 -3.976 -8.392 1.00 0.00 H new ATOM 165 N GLY A 11 -0.962 -2.156 -5.351 1.00 0.00 N ATOM 166 CA GLY A 11 -2.295 -1.670 -5.188 1.00 0.00 C ATOM 167 C GLY A 11 -2.502 -0.362 -5.884 1.00 0.00 C ATOM 168 O GLY A 11 -1.541 0.313 -6.265 1.00 0.00 O ATOM 0 H GLY A 11 -0.296 -1.473 -5.713 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.999 -2.404 -5.579 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -2.512 -1.554 -4.126 1.00 0.00 H new ATOM 172 N THR A 12 -3.727 0.025 -6.009 1.00 0.00 N ATOM 173 CA THR A 12 -4.067 1.217 -6.731 1.00 0.00 C ATOM 174 C THR A 12 -4.670 2.264 -5.789 1.00 0.00 C ATOM 175 O THR A 12 -5.627 1.993 -5.054 1.00 0.00 O ATOM 176 CB THR A 12 -5.077 0.868 -7.812 1.00 0.00 C ATOM 177 OG1 THR A 12 -4.584 -0.272 -8.565 1.00 0.00 O ATOM 178 CG2 THR A 12 -5.277 2.047 -8.759 1.00 0.00 C ATOM 0 H THR A 12 -4.526 -0.473 -5.615 1.00 0.00 H new ATOM 0 HA THR A 12 -3.164 1.632 -7.179 1.00 0.00 H new ATOM 0 HB THR A 12 -6.032 0.630 -7.344 1.00 0.00 H new ATOM 0 HG1 THR A 12 -4.668 -1.084 -8.022 1.00 0.00 H new ATOM 0 HG21 THR A 12 -6.003 1.778 -9.526 1.00 0.00 H new ATOM 0 HG22 THR A 12 -5.643 2.907 -8.198 1.00 0.00 H new ATOM 0 HG23 THR A 12 -4.328 2.300 -9.231 1.00 0.00 H new ATOM 186 N VAL A 13 -4.115 3.447 -5.805 1.00 0.00 N ATOM 187 CA VAL A 13 -4.582 4.501 -4.934 1.00 0.00 C ATOM 188 C VAL A 13 -5.682 5.322 -5.572 1.00 0.00 C ATOM 189 O VAL A 13 -5.572 5.744 -6.711 1.00 0.00 O ATOM 190 CB VAL A 13 -3.438 5.394 -4.401 1.00 0.00 C ATOM 191 CG1 VAL A 13 -2.632 5.961 -5.512 1.00 0.00 C ATOM 192 CG2 VAL A 13 -3.961 6.492 -3.485 1.00 0.00 C ATOM 0 H VAL A 13 -3.338 3.708 -6.411 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.012 4.002 -4.066 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.783 4.758 -3.806 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.836 6.584 -5.103 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.195 5.150 -6.095 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.272 6.566 -6.154 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.127 7.098 -3.131 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.660 7.122 -4.035 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.471 6.043 -2.633 1.00 0.00 H new ATOM 202 N LEU A 14 -6.748 5.484 -4.861 1.00 0.00 N ATOM 203 CA LEU A 14 -7.851 6.261 -5.316 1.00 0.00 C ATOM 204 C LEU A 14 -7.967 7.609 -4.611 1.00 0.00 C ATOM 205 O LEU A 14 -8.336 8.593 -5.230 1.00 0.00 O ATOM 206 CB LEU A 14 -9.178 5.478 -5.347 1.00 0.00 C ATOM 207 CG LEU A 14 -9.699 4.839 -4.052 1.00 0.00 C ATOM 208 CD1 LEU A 14 -11.150 4.426 -4.238 1.00 0.00 C ATOM 209 CD2 LEU A 14 -8.884 3.607 -3.687 1.00 0.00 C ATOM 0 H LEU A 14 -6.879 5.075 -3.936 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.629 6.494 -6.357 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -9.950 6.155 -5.713 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -9.074 4.684 -6.086 1.00 0.00 H new ATOM 0 HG LEU A 14 -9.611 5.573 -3.251 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -11.520 3.972 -3.319 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -11.750 5.304 -4.477 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -11.222 3.705 -5.053 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.273 3.173 -2.766 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -8.953 2.874 -4.491 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.841 3.890 -3.542 1.00 0.00 H new ATOM 221 N ASP A 15 -7.609 7.668 -3.331 1.00 0.00 N ATOM 222 CA ASP A 15 -7.814 8.904 -2.566 1.00 0.00 C ATOM 223 C ASP A 15 -6.517 9.326 -1.890 1.00 0.00 C ATOM 224 O ASP A 15 -5.701 8.481 -1.485 1.00 0.00 O ATOM 225 CB ASP A 15 -8.849 8.712 -1.449 1.00 0.00 C ATOM 226 CG ASP A 15 -10.160 8.055 -1.858 1.00 0.00 C ATOM 227 OD1 ASP A 15 -11.084 8.760 -2.262 1.00 0.00 O ATOM 228 OD2 ASP A 15 -10.269 6.796 -1.718 1.00 0.00 O ATOM 0 H ASP A 15 -7.187 6.900 -2.809 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.160 9.656 -3.275 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.396 8.112 -0.660 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.074 9.688 -1.018 1.00 0.00 H new ATOM 233 N THR A 16 -6.337 10.613 -1.743 1.00 0.00 N ATOM 234 CA THR A 16 -5.165 11.180 -1.108 1.00 0.00 C ATOM 235 C THR A 16 -5.478 11.588 0.331 1.00 0.00 C ATOM 236 O THR A 16 -6.490 12.249 0.580 1.00 0.00 O ATOM 237 CB THR A 16 -4.718 12.424 -1.886 1.00 0.00 C ATOM 238 OG1 THR A 16 -5.868 13.258 -2.128 1.00 0.00 O ATOM 239 CG2 THR A 16 -4.091 12.039 -3.206 1.00 0.00 C ATOM 0 H THR A 16 -7.008 11.311 -2.064 1.00 0.00 H new ATOM 0 HA THR A 16 -4.375 10.429 -1.104 1.00 0.00 H new ATOM 0 HB THR A 16 -3.974 12.961 -1.297 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.524 13.127 -1.412 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.783 12.939 -3.738 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.221 11.408 -3.025 1.00 0.00 H new ATOM 0 HG23 THR A 16 -4.817 11.492 -3.808 1.00 0.00 H new ATOM 247 N LEU A 17 -4.628 11.214 1.262 1.00 0.00 N ATOM 248 CA LEU A 17 -4.823 11.562 2.652 1.00 0.00 C ATOM 249 C LEU A 17 -3.752 12.595 3.060 1.00 0.00 C ATOM 250 O LEU A 17 -2.671 12.642 2.462 1.00 0.00 O ATOM 251 CB LEU A 17 -4.737 10.323 3.571 1.00 0.00 C ATOM 252 CG LEU A 17 -5.627 9.102 3.247 1.00 0.00 C ATOM 253 CD1 LEU A 17 -5.536 8.070 4.361 1.00 0.00 C ATOM 254 CD2 LEU A 17 -7.074 9.505 2.992 1.00 0.00 C ATOM 0 H LEU A 17 -3.788 10.664 1.079 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.822 11.983 2.767 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.701 9.986 3.577 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.973 10.645 4.585 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.254 8.655 2.326 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.168 7.216 4.118 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.503 7.738 4.466 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.871 8.515 5.298 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.665 8.617 2.768 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.477 9.995 3.878 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.117 10.192 2.147 1.00 0.00 H new ATOM 266 N PRO A 18 -4.047 13.474 4.022 1.00 0.00 N ATOM 267 CA PRO A 18 -3.087 14.483 4.487 1.00 0.00 C ATOM 268 C PRO A 18 -1.771 13.881 5.054 1.00 0.00 C ATOM 269 O PRO A 18 -1.741 12.745 5.529 1.00 0.00 O ATOM 270 CB PRO A 18 -3.850 15.232 5.595 1.00 0.00 C ATOM 271 CG PRO A 18 -4.971 14.328 5.977 1.00 0.00 C ATOM 272 CD PRO A 18 -5.336 13.579 4.733 1.00 0.00 C ATOM 0 HA PRO A 18 -2.761 15.116 3.661 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -3.203 15.439 6.448 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -4.223 16.192 5.237 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -4.668 13.644 6.770 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -5.821 14.897 6.354 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.753 12.598 4.960 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.081 14.114 4.143 1.00 0.00 H new ATOM 280 N ASN A 19 -0.692 14.667 4.937 1.00 0.00 N ATOM 281 CA ASN A 19 0.657 14.354 5.486 1.00 0.00 C ATOM 282 C ASN A 19 1.313 13.135 4.792 1.00 0.00 C ATOM 283 O ASN A 19 2.140 12.417 5.382 1.00 0.00 O ATOM 284 CB ASN A 19 0.616 14.186 7.028 1.00 0.00 C ATOM 285 CG ASN A 19 2.010 14.165 7.674 1.00 0.00 C ATOM 286 OD1 ASN A 19 2.971 14.784 7.165 1.00 0.00 O ATOM 287 ND2 ASN A 19 2.134 13.477 8.784 1.00 0.00 N ATOM 0 H ASN A 19 -0.722 15.562 4.448 1.00 0.00 H new ATOM 0 HA ASN A 19 1.293 15.211 5.265 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.035 15.001 7.460 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.096 13.260 7.272 1.00 0.00 H new ATOM 0 HD21 ASN A 19 3.035 13.435 9.260 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.329 12.984 9.171 1.00 0.00 H new ATOM 294 N ALA A 20 0.972 12.956 3.513 1.00 0.00 N ATOM 295 CA ALA A 20 1.555 11.920 2.642 1.00 0.00 C ATOM 296 C ALA A 20 1.027 10.527 2.965 1.00 0.00 C ATOM 297 O ALA A 20 1.712 9.502 2.759 1.00 0.00 O ATOM 298 CB ALA A 20 3.087 11.974 2.635 1.00 0.00 C ATOM 0 H ALA A 20 0.274 13.532 3.043 1.00 0.00 H new ATOM 0 HA ALA A 20 1.228 12.143 1.627 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.476 11.194 1.981 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.415 12.948 2.273 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.461 11.819 3.647 1.00 0.00 H new ATOM 304 N MET A 21 -0.169 10.491 3.478 1.00 0.00 N ATOM 305 CA MET A 21 -0.894 9.258 3.634 1.00 0.00 C ATOM 306 C MET A 21 -1.716 9.059 2.390 1.00 0.00 C ATOM 307 O MET A 21 -2.076 10.020 1.723 1.00 0.00 O ATOM 308 CB MET A 21 -1.825 9.283 4.849 1.00 0.00 C ATOM 309 CG MET A 21 -1.269 8.722 6.132 1.00 0.00 C ATOM 310 SD MET A 21 0.210 9.560 6.733 1.00 0.00 S ATOM 311 CE MET A 21 0.445 8.714 8.297 1.00 0.00 C ATOM 0 H MET A 21 -0.672 11.317 3.802 1.00 0.00 H new ATOM 0 HA MET A 21 -0.182 8.447 3.789 1.00 0.00 H new ATOM 0 HB2 MET A 21 -2.124 10.316 5.029 1.00 0.00 H new ATOM 0 HB3 MET A 21 -2.729 8.729 4.598 1.00 0.00 H new ATOM 0 HG2 MET A 21 -2.039 8.775 6.901 1.00 0.00 H new ATOM 0 HG3 MET A 21 -1.039 7.667 5.983 1.00 0.00 H new ATOM 0 HE1 MET A 21 1.325 9.116 8.799 1.00 0.00 H new ATOM 0 HE2 MET A 21 -0.432 8.863 8.927 1.00 0.00 H new ATOM 0 HE3 MET A 21 0.585 7.648 8.117 1.00 0.00 H new ATOM 321 N PHE A 22 -1.990 7.860 2.051 1.00 0.00 N ATOM 322 CA PHE A 22 -2.787 7.584 0.897 1.00 0.00 C ATOM 323 C PHE A 22 -3.742 6.478 1.197 1.00 0.00 C ATOM 324 O PHE A 22 -3.408 5.540 1.934 1.00 0.00 O ATOM 325 CB PHE A 22 -1.917 7.236 -0.331 1.00 0.00 C ATOM 326 CG PHE A 22 -1.094 8.389 -0.849 1.00 0.00 C ATOM 327 CD1 PHE A 22 -1.620 9.269 -1.777 1.00 0.00 C ATOM 328 CD2 PHE A 22 0.196 8.602 -0.393 1.00 0.00 C ATOM 329 CE1 PHE A 22 -0.875 10.335 -2.240 1.00 0.00 C ATOM 330 CE2 PHE A 22 0.940 9.668 -0.853 1.00 0.00 C ATOM 331 CZ PHE A 22 0.405 10.534 -1.777 1.00 0.00 C ATOM 0 H PHE A 22 -1.674 7.033 2.558 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.347 8.485 0.648 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.249 6.416 -0.069 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.564 6.877 -1.131 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -2.625 9.121 -2.144 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.624 7.925 0.331 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -1.297 11.013 -2.966 1.00 0.00 H new ATOM 0 HE2 PHE A 22 1.944 9.823 -0.487 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.988 11.368 -2.138 1.00 0.00 H new ATOM 341 N LYS A 23 -4.928 6.600 0.684 1.00 0.00 N ATOM 342 CA LYS A 23 -5.900 5.568 0.812 1.00 0.00 C ATOM 343 C LYS A 23 -5.871 4.781 -0.462 1.00 0.00 C ATOM 344 O LYS A 23 -6.310 5.244 -1.536 1.00 0.00 O ATOM 345 CB LYS A 23 -7.289 6.113 1.100 1.00 0.00 C ATOM 346 CG LYS A 23 -8.367 5.051 1.037 1.00 0.00 C ATOM 347 CD LYS A 23 -9.749 5.634 1.222 1.00 0.00 C ATOM 348 CE LYS A 23 -10.800 4.665 0.714 1.00 0.00 C ATOM 349 NZ LYS A 23 -10.578 4.362 -0.711 1.00 0.00 N ATOM 0 H LYS A 23 -5.245 7.419 0.166 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.659 4.934 1.665 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.296 6.571 2.089 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.520 6.900 0.383 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.315 4.539 0.076 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.183 4.302 1.808 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.922 5.850 2.276 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.827 6.580 0.686 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -10.766 3.745 1.297 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -11.793 5.093 0.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.402 3.852 -1.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.447 5.249 -1.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.728 3.771 -0.812 1.00 0.00 H new ATOM 363 N VAL A 24 -5.301 3.652 -0.360 1.00 0.00 N ATOM 364 CA VAL A 24 -5.075 2.810 -1.495 1.00 0.00 C ATOM 365 C VAL A 24 -5.930 1.575 -1.350 1.00 0.00 C ATOM 366 O VAL A 24 -6.149 1.107 -0.247 1.00 0.00 O ATOM 367 CB VAL A 24 -3.553 2.412 -1.565 1.00 0.00 C ATOM 368 CG1 VAL A 24 -3.178 1.672 -2.826 1.00 0.00 C ATOM 369 CG2 VAL A 24 -2.635 3.607 -1.325 1.00 0.00 C ATOM 0 H VAL A 24 -4.966 3.264 0.522 1.00 0.00 H new ATOM 0 HA VAL A 24 -5.338 3.335 -2.413 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.403 1.708 -0.747 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.115 1.431 -2.804 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.758 0.751 -2.894 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -3.390 2.299 -3.692 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -1.595 3.285 -1.383 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.822 4.367 -2.083 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.831 4.024 -0.337 1.00 0.00 H new ATOM 379 N GLU A 25 -6.462 1.095 -2.420 1.00 0.00 N ATOM 380 CA GLU A 25 -7.135 -0.152 -2.374 1.00 0.00 C ATOM 381 C GLU A 25 -6.285 -1.176 -3.063 1.00 0.00 C ATOM 382 O GLU A 25 -5.729 -0.926 -4.143 1.00 0.00 O ATOM 383 CB GLU A 25 -8.565 -0.140 -2.953 1.00 0.00 C ATOM 384 CG GLU A 25 -9.694 -0.028 -1.902 1.00 0.00 C ATOM 385 CD GLU A 25 -9.953 1.380 -1.354 1.00 0.00 C ATOM 386 OE1 GLU A 25 -9.116 1.948 -0.620 1.00 0.00 O ATOM 387 OE2 GLU A 25 -11.022 1.961 -1.675 1.00 0.00 O ATOM 0 H GLU A 25 -6.443 1.547 -3.334 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.275 -0.399 -1.322 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.652 0.695 -3.649 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.715 -1.053 -3.530 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.617 -0.401 -2.346 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.454 -0.685 -1.066 1.00 0.00 H new ATOM 394 N LEU A 26 -6.112 -2.285 -2.412 1.00 0.00 N ATOM 395 CA LEU A 26 -5.369 -3.383 -2.965 1.00 0.00 C ATOM 396 C LEU A 26 -6.100 -3.968 -4.145 1.00 0.00 C ATOM 397 O LEU A 26 -7.320 -3.858 -4.241 1.00 0.00 O ATOM 398 CB LEU A 26 -5.169 -4.482 -1.923 1.00 0.00 C ATOM 399 CG LEU A 26 -4.231 -4.173 -0.770 1.00 0.00 C ATOM 400 CD1 LEU A 26 -4.251 -5.315 0.231 1.00 0.00 C ATOM 401 CD2 LEU A 26 -2.818 -3.959 -1.296 1.00 0.00 C ATOM 0 H LEU A 26 -6.483 -2.458 -1.478 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.398 -3.001 -3.281 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.144 -4.737 -1.508 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.797 -5.370 -2.434 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.563 -3.262 -0.272 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.576 -5.088 1.056 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.263 -5.444 0.615 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.929 -6.234 -0.259 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.150 -3.738 -0.464 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.478 -4.862 -1.804 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.813 -3.124 -1.997 1.00 0.00 H new ATOM 413 N GLU A 27 -5.360 -4.656 -4.987 1.00 0.00 N ATOM 414 CA GLU A 27 -5.901 -5.348 -6.171 1.00 0.00 C ATOM 415 C GLU A 27 -6.874 -6.469 -5.724 1.00 0.00 C ATOM 416 O GLU A 27 -7.630 -7.023 -6.505 1.00 0.00 O ATOM 417 CB GLU A 27 -4.738 -5.964 -6.947 1.00 0.00 C ATOM 418 CG GLU A 27 -3.570 -5.007 -7.183 1.00 0.00 C ATOM 419 CD GLU A 27 -3.933 -3.777 -7.994 1.00 0.00 C ATOM 420 OE1 GLU A 27 -3.799 -3.813 -9.222 1.00 0.00 O ATOM 421 OE2 GLU A 27 -4.293 -2.734 -7.405 1.00 0.00 O ATOM 0 H GLU A 27 -4.351 -4.761 -4.881 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.441 -4.640 -6.800 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.375 -6.837 -6.404 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.105 -6.318 -7.911 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.173 -4.689 -6.219 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.771 -5.544 -7.695 1.00 0.00 H new ATOM 428 N ASN A 28 -6.806 -6.773 -4.441 1.00 0.00 N ATOM 429 CA ASN A 28 -7.648 -7.757 -3.780 1.00 0.00 C ATOM 430 C ASN A 28 -9.005 -7.136 -3.376 1.00 0.00 C ATOM 431 O ASN A 28 -9.923 -7.833 -2.980 1.00 0.00 O ATOM 432 CB ASN A 28 -6.869 -8.305 -2.549 1.00 0.00 C ATOM 433 CG ASN A 28 -7.688 -9.131 -1.559 1.00 0.00 C ATOM 434 OD1 ASN A 28 -8.194 -8.602 -0.574 1.00 0.00 O ATOM 435 ND2 ASN A 28 -7.810 -10.412 -1.802 1.00 0.00 N ATOM 0 H ASN A 28 -6.141 -6.328 -3.808 1.00 0.00 H new ATOM 0 HA ASN A 28 -7.877 -8.580 -4.457 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -6.043 -8.918 -2.909 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -6.431 -7.462 -2.015 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -8.339 -11.004 -1.162 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -7.376 -10.817 -2.631 1.00 0.00 H new ATOM 442 N GLY A 29 -9.126 -5.822 -3.537 1.00 0.00 N ATOM 443 CA GLY A 29 -10.362 -5.143 -3.183 1.00 0.00 C ATOM 444 C GLY A 29 -10.404 -4.748 -1.722 1.00 0.00 C ATOM 445 O GLY A 29 -11.441 -4.363 -1.206 1.00 0.00 O ATOM 0 H GLY A 29 -8.393 -5.216 -3.905 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -10.474 -4.252 -3.801 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -11.208 -5.794 -3.405 1.00 0.00 H new ATOM 449 N HIS A 30 -9.279 -4.874 -1.055 1.00 0.00 N ATOM 450 CA HIS A 30 -9.190 -4.551 0.342 1.00 0.00 C ATOM 451 C HIS A 30 -8.691 -3.139 0.463 1.00 0.00 C ATOM 452 O HIS A 30 -7.978 -2.659 -0.419 1.00 0.00 O ATOM 453 CB HIS A 30 -8.203 -5.481 1.030 1.00 0.00 C ATOM 454 CG HIS A 30 -8.403 -5.593 2.515 1.00 0.00 C ATOM 455 ND1 HIS A 30 -7.382 -5.494 3.429 1.00 0.00 N ATOM 456 CD2 HIS A 30 -9.525 -5.784 3.237 1.00 0.00 C ATOM 457 CE1 HIS A 30 -7.871 -5.621 4.638 1.00 0.00 C ATOM 458 NE2 HIS A 30 -9.171 -5.782 4.559 1.00 0.00 N ATOM 0 H HIS A 30 -8.406 -5.202 -1.468 1.00 0.00 H new ATOM 0 HA HIS A 30 -10.168 -4.661 0.810 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -8.285 -6.473 0.587 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -7.190 -5.128 0.836 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -6.399 -5.345 3.202 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -10.522 -5.915 2.844 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -7.297 -5.597 5.552 1.00 0.00 H new ATOM 467 N GLU A 31 -8.959 -2.541 1.559 1.00 0.00 N ATOM 468 CA GLU A 31 -8.594 -1.202 1.811 1.00 0.00 C ATOM 469 C GLU A 31 -7.288 -1.207 2.561 1.00 0.00 C ATOM 470 O GLU A 31 -7.006 -2.135 3.343 1.00 0.00 O ATOM 471 CB GLU A 31 -9.686 -0.530 2.682 1.00 0.00 C ATOM 472 CG GLU A 31 -9.744 -0.990 4.172 1.00 0.00 C ATOM 473 CD GLU A 31 -9.945 -2.483 4.401 1.00 0.00 C ATOM 474 OE1 GLU A 31 -10.691 -3.123 3.643 1.00 0.00 O ATOM 475 OE2 GLU A 31 -9.320 -3.048 5.337 1.00 0.00 O ATOM 0 H GLU A 31 -9.455 -2.985 2.332 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.492 -0.651 0.876 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.529 0.548 2.660 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.657 -0.720 2.225 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.818 -0.689 4.661 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.554 -0.454 4.666 1.00 0.00 H new ATOM 482 N ILE A 32 -6.460 -0.272 2.258 1.00 0.00 N ATOM 483 CA ILE A 32 -5.249 -0.089 2.978 1.00 0.00 C ATOM 484 C ILE A 32 -4.995 1.376 3.174 1.00 0.00 C ATOM 485 O ILE A 32 -5.219 2.208 2.278 1.00 0.00 O ATOM 486 CB ILE A 32 -3.994 -0.734 2.308 1.00 0.00 C ATOM 487 CG1 ILE A 32 -3.858 -0.275 0.892 1.00 0.00 C ATOM 488 CG2 ILE A 32 -4.038 -2.230 2.365 1.00 0.00 C ATOM 489 CD1 ILE A 32 -2.568 -0.682 0.213 1.00 0.00 C ATOM 0 H ILE A 32 -6.604 0.393 1.498 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.391 -0.603 3.929 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.121 -0.406 2.873 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.695 -0.668 0.316 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.937 0.812 0.868 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.147 -2.639 1.888 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.074 -2.554 3.405 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.925 -2.588 1.843 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -2.560 -0.304 -0.809 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.722 -0.266 0.760 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.492 -1.769 0.199 1.00 0.00 H new ATOM 501 N LEU A 33 -4.564 1.701 4.318 1.00 0.00 N ATOM 502 CA LEU A 33 -4.149 3.023 4.573 1.00 0.00 C ATOM 503 C LEU A 33 -2.670 2.966 4.523 1.00 0.00 C ATOM 504 O LEU A 33 -2.036 2.188 5.253 1.00 0.00 O ATOM 505 CB LEU A 33 -4.654 3.486 5.937 1.00 0.00 C ATOM 506 CG LEU A 33 -6.177 3.506 6.092 1.00 0.00 C ATOM 507 CD1 LEU A 33 -6.568 3.826 7.524 1.00 0.00 C ATOM 508 CD2 LEU A 33 -6.803 4.522 5.140 1.00 0.00 C ATOM 0 H LEU A 33 -4.486 1.064 5.110 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.545 3.738 3.852 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.235 2.834 6.703 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.272 4.489 6.128 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.553 2.514 5.841 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.654 3.835 7.611 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.157 3.069 8.191 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.174 4.804 7.799 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.886 4.520 5.266 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.414 5.516 5.361 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.557 4.257 4.112 1.00 0.00 H new ATOM 520 N ALA A 34 -2.114 3.752 3.688 1.00 0.00 N ATOM 521 CA ALA A 34 -0.731 3.649 3.425 1.00 0.00 C ATOM 522 C ALA A 34 -0.032 4.962 3.569 1.00 0.00 C ATOM 523 O ALA A 34 -0.651 6.020 3.539 1.00 0.00 O ATOM 524 CB ALA A 34 -0.536 3.079 2.044 1.00 0.00 C ATOM 0 H ALA A 34 -2.599 4.483 3.168 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.286 2.982 4.163 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.530 2.996 1.832 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.995 2.092 1.990 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.002 3.737 1.310 1.00 0.00 H new ATOM 530 N HIS A 35 1.246 4.891 3.765 1.00 0.00 N ATOM 531 CA HIS A 35 2.070 6.057 3.873 1.00 0.00 C ATOM 532 C HIS A 35 3.276 5.892 2.968 1.00 0.00 C ATOM 533 O HIS A 35 3.887 4.821 2.922 1.00 0.00 O ATOM 534 CB HIS A 35 2.504 6.267 5.340 1.00 0.00 C ATOM 535 CG HIS A 35 3.344 7.495 5.586 1.00 0.00 C ATOM 536 ND1 HIS A 35 2.858 8.781 5.514 1.00 0.00 N ATOM 537 CD2 HIS A 35 4.654 7.616 5.889 1.00 0.00 C ATOM 538 CE1 HIS A 35 3.824 9.632 5.754 1.00 0.00 C ATOM 539 NE2 HIS A 35 4.932 8.955 5.986 1.00 0.00 N ATOM 0 H HIS A 35 1.755 4.012 3.856 1.00 0.00 H new ATOM 0 HA HIS A 35 1.509 6.938 3.562 1.00 0.00 H new ATOM 0 HB2 HIS A 35 1.611 6.325 5.963 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.064 5.391 5.667 1.00 0.00 H new ATOM 0 HD1 HIS A 35 1.892 9.033 5.305 1.00 0.00 H new ATOM 0 HD2 HIS A 35 5.355 6.806 6.029 1.00 0.00 H new ATOM 0 HE1 HIS A 35 3.729 10.708 5.761 1.00 0.00 H new ATOM 548 N VAL A 36 3.615 6.926 2.263 1.00 0.00 N ATOM 549 CA VAL A 36 4.777 6.906 1.398 1.00 0.00 C ATOM 550 C VAL A 36 6.025 7.192 2.199 1.00 0.00 C ATOM 551 O VAL A 36 5.969 7.891 3.225 1.00 0.00 O ATOM 552 CB VAL A 36 4.671 7.860 0.195 1.00 0.00 C ATOM 553 CG1 VAL A 36 3.588 7.391 -0.752 1.00 0.00 C ATOM 554 CG2 VAL A 36 4.407 9.288 0.642 1.00 0.00 C ATOM 0 H VAL A 36 3.104 7.809 2.263 1.00 0.00 H new ATOM 0 HA VAL A 36 4.831 5.902 0.976 1.00 0.00 H new ATOM 0 HB VAL A 36 5.627 7.848 -0.329 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.524 8.075 -1.598 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.827 6.390 -1.111 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.632 7.370 -0.229 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.338 9.936 -0.232 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.471 9.328 1.198 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.223 9.626 1.281 1.00 0.00 H new ATOM 564 N SER A 37 7.122 6.609 1.780 1.00 0.00 N ATOM 565 CA SER A 37 8.368 6.702 2.494 1.00 0.00 C ATOM 566 C SER A 37 8.855 8.146 2.543 1.00 0.00 C ATOM 567 O SER A 37 8.403 9.009 1.756 1.00 0.00 O ATOM 568 CB SER A 37 9.436 5.840 1.812 1.00 0.00 C ATOM 569 OG SER A 37 9.846 6.420 0.570 1.00 0.00 O ATOM 0 H SER A 37 7.173 6.053 0.927 1.00 0.00 H new ATOM 0 HA SER A 37 8.200 6.344 3.510 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.298 5.734 2.470 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.043 4.838 1.638 1.00 0.00 H new ATOM 0 HG SER A 37 10.529 5.853 0.154 1.00 0.00 H new ATOM 575 N GLY A 38 9.748 8.409 3.483 1.00 0.00 N ATOM 576 CA GLY A 38 10.316 9.718 3.644 1.00 0.00 C ATOM 577 C GLY A 38 10.955 10.246 2.375 1.00 0.00 C ATOM 578 O GLY A 38 10.993 11.452 2.172 1.00 0.00 O ATOM 0 H GLY A 38 10.092 7.717 4.149 1.00 0.00 H new ATOM 0 HA2 GLY A 38 9.537 10.409 3.967 1.00 0.00 H new ATOM 0 HA3 GLY A 38 11.064 9.689 4.436 1.00 0.00 H new ATOM 582 N LYS A 39 11.394 9.348 1.476 1.00 0.00 N ATOM 583 CA LYS A 39 12.042 9.807 0.277 1.00 0.00 C ATOM 584 C LYS A 39 11.008 10.376 -0.659 1.00 0.00 C ATOM 585 O LYS A 39 11.180 11.449 -1.171 1.00 0.00 O ATOM 586 CB LYS A 39 12.840 8.705 -0.432 1.00 0.00 C ATOM 587 CG LYS A 39 13.640 9.235 -1.628 1.00 0.00 C ATOM 588 CD LYS A 39 14.362 8.131 -2.377 1.00 0.00 C ATOM 589 CE LYS A 39 15.232 8.692 -3.507 1.00 0.00 C ATOM 590 NZ LYS A 39 14.450 9.474 -4.511 1.00 0.00 N ATOM 0 H LYS A 39 11.307 8.336 1.568 1.00 0.00 H new ATOM 0 HA LYS A 39 12.760 10.574 0.568 1.00 0.00 H new ATOM 0 HB2 LYS A 39 13.522 8.240 0.280 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.156 7.928 -0.773 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.967 9.753 -2.311 1.00 0.00 H new ATOM 0 HG3 LYS A 39 14.367 9.969 -1.279 1.00 0.00 H new ATOM 0 HD2 LYS A 39 14.985 7.567 -1.683 1.00 0.00 H new ATOM 0 HD3 LYS A 39 13.633 7.434 -2.790 1.00 0.00 H new ATOM 0 HE2 LYS A 39 16.006 9.330 -3.080 1.00 0.00 H new ATOM 0 HE3 LYS A 39 15.739 7.869 -4.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 14.896 9.382 -5.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.477 9.109 -4.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 14.432 10.476 -4.233 1.00 0.00 H new ATOM 604 N ILE A 40 9.913 9.664 -0.826 1.00 0.00 N ATOM 605 CA ILE A 40 8.843 10.091 -1.715 1.00 0.00 C ATOM 606 C ILE A 40 8.224 11.402 -1.252 1.00 0.00 C ATOM 607 O ILE A 40 7.986 12.306 -2.061 1.00 0.00 O ATOM 608 CB ILE A 40 7.769 8.970 -1.895 1.00 0.00 C ATOM 609 CG1 ILE A 40 8.314 7.885 -2.828 1.00 0.00 C ATOM 610 CG2 ILE A 40 6.440 9.518 -2.417 1.00 0.00 C ATOM 611 CD1 ILE A 40 7.421 6.668 -2.972 1.00 0.00 C ATOM 0 H ILE A 40 9.736 8.777 -0.354 1.00 0.00 H new ATOM 0 HA ILE A 40 9.283 10.274 -2.696 1.00 0.00 H new ATOM 0 HB ILE A 40 7.565 8.539 -0.915 1.00 0.00 H new ATOM 0 HG12 ILE A 40 8.475 8.320 -3.814 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.288 7.563 -2.459 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.727 8.701 -2.525 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.047 10.252 -1.713 1.00 0.00 H new ATOM 0 HG23 ILE A 40 6.597 9.993 -3.385 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.887 5.953 -3.651 1.00 0.00 H new ATOM 0 HD12 ILE A 40 7.280 6.203 -1.996 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.454 6.972 -3.373 1.00 0.00 H new ATOM 623 N ARG A 41 8.044 11.520 0.044 1.00 0.00 N ATOM 624 CA ARG A 41 7.433 12.692 0.624 1.00 0.00 C ATOM 625 C ARG A 41 8.326 13.934 0.449 1.00 0.00 C ATOM 626 O ARG A 41 7.861 14.979 0.014 1.00 0.00 O ATOM 627 CB ARG A 41 7.201 12.449 2.115 1.00 0.00 C ATOM 628 CG ARG A 41 6.448 13.558 2.828 1.00 0.00 C ATOM 629 CD ARG A 41 6.428 13.312 4.325 1.00 0.00 C ATOM 630 NE ARG A 41 5.592 14.280 5.057 1.00 0.00 N ATOM 631 CZ ARG A 41 5.988 15.494 5.484 1.00 0.00 C ATOM 632 NH1 ARG A 41 7.157 16.021 5.068 1.00 0.00 N ATOM 633 NH2 ARG A 41 5.195 16.190 6.300 1.00 0.00 N ATOM 0 H ARG A 41 8.316 10.809 0.723 1.00 0.00 H new ATOM 0 HA ARG A 41 6.488 12.874 0.113 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.649 11.517 2.236 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.167 12.313 2.602 1.00 0.00 H new ATOM 0 HG2 ARG A 41 6.919 14.518 2.618 1.00 0.00 H new ATOM 0 HG3 ARG A 41 5.427 13.614 2.449 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.060 12.304 4.517 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.447 13.357 4.709 1.00 0.00 H new ATOM 0 HE ARG A 41 4.630 14.007 5.258 1.00 0.00 H new ATOM 0 HH11 ARG A 41 7.751 15.499 4.424 1.00 0.00 H new ATOM 0 HH12 ARG A 41 7.447 16.942 5.398 1.00 0.00 H new ATOM 0 HH21 ARG A 41 4.299 15.802 6.594 1.00 0.00 H new ATOM 0 HH22 ARG A 41 5.485 17.111 6.630 1.00 0.00 H new ATOM 647 N MET A 42 9.604 13.801 0.784 1.00 0.00 N ATOM 648 CA MET A 42 10.526 14.946 0.730 1.00 0.00 C ATOM 649 C MET A 42 10.961 15.282 -0.700 1.00 0.00 C ATOM 650 O MET A 42 11.248 16.422 -1.013 1.00 0.00 O ATOM 651 CB MET A 42 11.760 14.739 1.621 1.00 0.00 C ATOM 652 CG MET A 42 11.467 14.392 3.086 1.00 0.00 C ATOM 653 SD MET A 42 10.339 15.537 3.928 1.00 0.00 S ATOM 654 CE MET A 42 10.422 14.883 5.597 1.00 0.00 C ATOM 0 H MET A 42 10.028 12.927 1.093 1.00 0.00 H new ATOM 0 HA MET A 42 9.963 15.795 1.117 1.00 0.00 H new ATOM 0 HB2 MET A 42 12.367 13.942 1.192 1.00 0.00 H new ATOM 0 HB3 MET A 42 12.362 15.647 1.595 1.00 0.00 H new ATOM 0 HG2 MET A 42 11.043 13.389 3.129 1.00 0.00 H new ATOM 0 HG3 MET A 42 12.409 14.364 3.634 1.00 0.00 H new ATOM 0 HE1 MET A 42 9.782 15.474 6.252 1.00 0.00 H new ATOM 0 HE2 MET A 42 10.084 13.847 5.599 1.00 0.00 H new ATOM 0 HE3 MET A 42 11.450 14.930 5.956 1.00 0.00 H new ATOM 664 N ASN A 43 10.997 14.275 -1.561 1.00 0.00 N ATOM 665 CA ASN A 43 11.487 14.434 -2.951 1.00 0.00 C ATOM 666 C ASN A 43 10.345 14.939 -3.843 1.00 0.00 C ATOM 667 O ASN A 43 10.537 15.197 -5.028 1.00 0.00 O ATOM 668 CB ASN A 43 12.003 13.055 -3.458 1.00 0.00 C ATOM 669 CG ASN A 43 12.936 13.025 -4.688 1.00 0.00 C ATOM 670 OD1 ASN A 43 13.780 12.113 -4.789 1.00 0.00 O ATOM 671 ND2 ASN A 43 12.793 13.926 -5.618 1.00 0.00 N ATOM 0 H ASN A 43 10.694 13.328 -1.333 1.00 0.00 H new ATOM 0 HA ASN A 43 12.300 15.160 -2.985 1.00 0.00 H new ATOM 0 HB2 ASN A 43 12.527 12.573 -2.633 1.00 0.00 H new ATOM 0 HB3 ASN A 43 11.133 12.439 -3.686 1.00 0.00 H new ATOM 0 HD21 ASN A 43 13.379 13.895 -6.452 1.00 0.00 H new ATOM 0 HD22 ASN A 43 12.095 14.662 -5.512 1.00 0.00 H new ATOM 761 N LEU A 48 -0.417 10.120 -7.259 1.00 0.00 N ATOM 762 CA LEU A 48 -1.652 10.685 -7.709 1.00 0.00 C ATOM 763 C LEU A 48 -2.702 9.572 -7.764 1.00 0.00 C ATOM 764 O LEU A 48 -2.358 8.442 -8.077 1.00 0.00 O ATOM 765 CB LEU A 48 -1.449 11.276 -9.112 1.00 0.00 C ATOM 766 CG LEU A 48 -2.638 12.019 -9.714 1.00 0.00 C ATOM 767 CD1 LEU A 48 -2.870 13.348 -9.001 1.00 0.00 C ATOM 768 CD2 LEU A 48 -2.447 12.228 -11.207 1.00 0.00 C ATOM 0 HA LEU A 48 -1.983 11.472 -7.031 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.602 11.961 -9.075 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.175 10.466 -9.788 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.526 11.404 -9.572 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.723 13.857 -9.449 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.071 13.164 -7.946 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.982 13.973 -9.098 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.308 12.760 -11.613 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.544 12.814 -11.380 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.352 11.261 -11.701 1.00 0.00 H new ATOM 780 N PRO A 49 -3.963 9.827 -7.334 1.00 0.00 N ATOM 781 CA PRO A 49 -5.056 8.870 -7.522 1.00 0.00 C ATOM 782 C PRO A 49 -5.050 8.299 -8.947 1.00 0.00 C ATOM 783 O PRO A 49 -5.043 9.044 -9.933 1.00 0.00 O ATOM 784 CB PRO A 49 -6.288 9.731 -7.293 1.00 0.00 C ATOM 785 CG PRO A 49 -5.851 10.688 -6.250 1.00 0.00 C ATOM 786 CD PRO A 49 -4.417 11.022 -6.601 1.00 0.00 C ATOM 0 HA PRO A 49 -4.995 8.006 -6.860 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.595 10.243 -8.205 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -7.138 9.135 -6.961 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -6.475 11.582 -6.248 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.922 10.247 -5.256 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.351 11.920 -7.215 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.815 11.201 -5.710 1.00 0.00 H new ATOM 794 N GLY A 50 -5.068 6.998 -9.031 1.00 0.00 N ATOM 795 CA GLY A 50 -4.938 6.312 -10.284 1.00 0.00 C ATOM 796 C GLY A 50 -3.584 5.634 -10.399 1.00 0.00 C ATOM 797 O GLY A 50 -3.416 4.708 -11.200 1.00 0.00 O ATOM 0 H GLY A 50 -5.174 6.381 -8.226 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.729 5.569 -10.379 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.065 7.019 -11.104 1.00 0.00 H new ATOM 801 N ASP A 51 -2.627 6.065 -9.577 1.00 0.00 N ATOM 802 CA ASP A 51 -1.303 5.444 -9.558 1.00 0.00 C ATOM 803 C ASP A 51 -1.343 4.112 -8.870 1.00 0.00 C ATOM 804 O ASP A 51 -2.195 3.853 -7.994 1.00 0.00 O ATOM 805 CB ASP A 51 -0.218 6.291 -8.852 1.00 0.00 C ATOM 806 CG ASP A 51 0.382 7.410 -9.672 1.00 0.00 C ATOM 807 OD1 ASP A 51 0.695 7.197 -10.854 1.00 0.00 O ATOM 808 OD2 ASP A 51 0.655 8.504 -9.100 1.00 0.00 O ATOM 0 H ASP A 51 -2.743 6.836 -8.920 1.00 0.00 H new ATOM 0 HA ASP A 51 -1.034 5.346 -10.610 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.650 6.720 -7.948 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.586 5.626 -8.536 1.00 0.00 H new ATOM 813 N LYS A 52 -0.426 3.274 -9.250 1.00 0.00 N ATOM 814 CA LYS A 52 -0.260 1.993 -8.637 1.00 0.00 C ATOM 815 C LYS A 52 1.067 2.035 -7.902 1.00 0.00 C ATOM 816 O LYS A 52 2.027 2.692 -8.378 1.00 0.00 O ATOM 817 CB LYS A 52 -0.285 0.880 -9.683 1.00 0.00 C ATOM 818 CG LYS A 52 -1.482 0.949 -10.630 1.00 0.00 C ATOM 819 CD LYS A 52 -1.590 -0.293 -11.502 1.00 0.00 C ATOM 820 CE LYS A 52 -2.510 -1.360 -10.893 1.00 0.00 C ATOM 821 NZ LYS A 52 -2.142 -1.766 -9.525 1.00 0.00 N ATOM 0 H LYS A 52 0.235 3.464 -10.003 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.075 1.779 -7.946 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.633 0.925 -10.269 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -0.292 -0.084 -9.174 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.397 1.065 -10.050 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.392 1.831 -11.264 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.967 -0.011 -12.485 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.597 -0.716 -11.651 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.532 -0.981 -10.885 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.502 -2.240 -11.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.525 -2.713 -9.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.106 -1.786 -9.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.535 -1.086 -8.843 1.00 0.00 H new ATOM 835 N VAL A 53 1.146 1.384 -6.777 1.00 0.00 N ATOM 836 CA VAL A 53 2.302 1.506 -5.907 1.00 0.00 C ATOM 837 C VAL A 53 2.690 0.186 -5.259 1.00 0.00 C ATOM 838 O VAL A 53 1.872 -0.715 -5.103 1.00 0.00 O ATOM 839 CB VAL A 53 2.067 2.558 -4.778 1.00 0.00 C ATOM 840 CG1 VAL A 53 2.054 3.979 -5.328 1.00 0.00 C ATOM 841 CG2 VAL A 53 0.757 2.273 -4.036 1.00 0.00 C ATOM 0 H VAL A 53 0.421 0.755 -6.430 1.00 0.00 H new ATOM 0 HA VAL A 53 3.116 1.833 -6.554 1.00 0.00 H new ATOM 0 HB VAL A 53 2.898 2.473 -4.078 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.888 4.683 -4.513 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.011 4.194 -5.804 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.254 4.078 -6.062 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.613 3.018 -3.253 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.076 2.318 -4.738 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.801 1.280 -3.588 1.00 0.00 H new ATOM 851 N THR A 54 3.933 0.103 -4.862 1.00 0.00 N ATOM 852 CA THR A 54 4.441 -1.049 -4.188 1.00 0.00 C ATOM 853 C THR A 54 4.373 -0.776 -2.683 1.00 0.00 C ATOM 854 O THR A 54 5.051 0.146 -2.159 1.00 0.00 O ATOM 855 CB THR A 54 5.893 -1.290 -4.616 1.00 0.00 C ATOM 856 OG1 THR A 54 5.955 -1.245 -6.054 1.00 0.00 O ATOM 857 CG2 THR A 54 6.383 -2.651 -4.135 1.00 0.00 C ATOM 0 H THR A 54 4.622 0.842 -5.002 1.00 0.00 H new ATOM 0 HA THR A 54 3.856 -1.934 -4.436 1.00 0.00 H new ATOM 0 HB THR A 54 6.529 -0.522 -4.176 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.837 -1.551 -6.353 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.416 -2.798 -4.451 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.327 -2.694 -3.047 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.757 -3.435 -4.562 1.00 0.00 H new ATOM 865 N VAL A 55 3.558 -1.547 -2.007 1.00 0.00 N ATOM 866 CA VAL A 55 3.285 -1.343 -0.618 1.00 0.00 C ATOM 867 C VAL A 55 3.833 -2.481 0.251 1.00 0.00 C ATOM 868 O VAL A 55 3.592 -3.664 -0.009 1.00 0.00 O ATOM 869 CB VAL A 55 1.746 -1.122 -0.372 1.00 0.00 C ATOM 870 CG1 VAL A 55 0.898 -2.327 -0.773 1.00 0.00 C ATOM 871 CG2 VAL A 55 1.470 -0.747 1.055 1.00 0.00 C ATOM 0 H VAL A 55 3.064 -2.340 -2.416 1.00 0.00 H new ATOM 0 HA VAL A 55 3.808 -0.436 -0.316 1.00 0.00 H new ATOM 0 HB VAL A 55 1.456 -0.295 -1.019 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.153 -2.113 -0.579 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.037 -2.533 -1.834 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.204 -3.197 -0.192 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.399 -0.601 1.192 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.815 -1.544 1.714 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.996 0.177 1.297 1.00 0.00 H new ATOM 881 N GLU A 56 4.600 -2.107 1.243 1.00 0.00 N ATOM 882 CA GLU A 56 5.114 -3.024 2.227 1.00 0.00 C ATOM 883 C GLU A 56 4.189 -2.983 3.409 1.00 0.00 C ATOM 884 O GLU A 56 3.907 -1.913 3.943 1.00 0.00 O ATOM 885 CB GLU A 56 6.524 -2.618 2.621 1.00 0.00 C ATOM 886 CG GLU A 56 7.475 -2.728 1.465 1.00 0.00 C ATOM 887 CD GLU A 56 8.864 -2.263 1.762 1.00 0.00 C ATOM 888 OE1 GLU A 56 9.433 -2.622 2.794 1.00 0.00 O ATOM 889 OE2 GLU A 56 9.343 -1.382 1.020 1.00 0.00 O ATOM 0 H GLU A 56 4.890 -1.140 1.392 1.00 0.00 H new ATOM 0 HA GLU A 56 5.163 -4.038 1.831 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.518 -1.593 2.991 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.870 -3.250 3.439 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.515 -3.768 1.140 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.081 -2.148 0.630 1.00 0.00 H new ATOM 896 N MET A 57 3.706 -4.114 3.795 1.00 0.00 N ATOM 897 CA MET A 57 2.688 -4.201 4.810 1.00 0.00 C ATOM 898 C MET A 57 2.889 -5.356 5.750 1.00 0.00 C ATOM 899 O MET A 57 3.555 -6.347 5.421 1.00 0.00 O ATOM 900 CB MET A 57 1.308 -4.276 4.181 1.00 0.00 C ATOM 901 CG MET A 57 1.185 -5.274 3.073 1.00 0.00 C ATOM 902 SD MET A 57 -0.506 -5.499 2.550 1.00 0.00 S ATOM 903 CE MET A 57 -0.901 -3.857 2.009 1.00 0.00 C ATOM 0 H MET A 57 4.001 -5.015 3.419 1.00 0.00 H new ATOM 0 HA MET A 57 2.770 -3.290 5.403 1.00 0.00 H new ATOM 0 HB2 MET A 57 0.582 -4.521 4.956 1.00 0.00 H new ATOM 0 HB3 MET A 57 1.044 -3.291 3.797 1.00 0.00 H new ATOM 0 HG2 MET A 57 1.785 -4.947 2.224 1.00 0.00 H new ATOM 0 HG3 MET A 57 1.592 -6.230 3.401 1.00 0.00 H new ATOM 0 HE1 MET A 57 -1.573 -3.908 1.152 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.387 -3.314 2.819 1.00 0.00 H new ATOM 0 HE3 MET A 57 0.014 -3.338 1.722 1.00 0.00 H new ATOM 913 N SER A 58 2.338 -5.208 6.925 1.00 0.00 N ATOM 914 CA SER A 58 2.383 -6.184 7.938 1.00 0.00 C ATOM 915 C SER A 58 1.418 -7.332 7.596 1.00 0.00 C ATOM 916 O SER A 58 0.259 -7.087 7.228 1.00 0.00 O ATOM 917 CB SER A 58 2.005 -5.482 9.236 1.00 0.00 C ATOM 918 OG SER A 58 0.914 -4.595 9.004 1.00 0.00 O ATOM 0 H SER A 58 1.830 -4.366 7.196 1.00 0.00 H new ATOM 0 HA SER A 58 3.373 -6.629 8.036 1.00 0.00 H new ATOM 0 HB2 SER A 58 1.733 -6.218 9.993 1.00 0.00 H new ATOM 0 HB3 SER A 58 2.860 -4.928 9.623 1.00 0.00 H new ATOM 0 HG SER A 58 0.277 -4.659 9.746 1.00 0.00 H new ATOM 924 N PRO A 59 1.884 -8.602 7.709 1.00 0.00 N ATOM 925 CA PRO A 59 1.071 -9.798 7.386 1.00 0.00 C ATOM 926 C PRO A 59 -0.119 -9.969 8.326 1.00 0.00 C ATOM 927 O PRO A 59 -1.016 -10.756 8.072 1.00 0.00 O ATOM 928 CB PRO A 59 2.050 -10.968 7.554 1.00 0.00 C ATOM 929 CG PRO A 59 3.154 -10.447 8.406 1.00 0.00 C ATOM 930 CD PRO A 59 3.247 -8.972 8.139 1.00 0.00 C ATOM 0 HA PRO A 59 0.640 -9.727 6.387 1.00 0.00 H new ATOM 0 HB2 PRO A 59 1.563 -11.823 8.023 1.00 0.00 H new ATOM 0 HB3 PRO A 59 2.426 -11.306 6.588 1.00 0.00 H new ATOM 0 HG2 PRO A 59 2.952 -10.637 9.460 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.094 -10.943 8.167 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.547 -8.423 9.031 1.00 0.00 H new ATOM 0 HD3 PRO A 59 3.983 -8.752 7.366 1.00 0.00 H new ATOM 938 N TYR A 60 -0.094 -9.235 9.408 1.00 0.00 N ATOM 939 CA TYR A 60 -1.143 -9.279 10.393 1.00 0.00 C ATOM 940 C TYR A 60 -2.271 -8.309 10.013 1.00 0.00 C ATOM 941 O TYR A 60 -3.390 -8.423 10.506 1.00 0.00 O ATOM 942 CB TYR A 60 -0.548 -8.927 11.775 1.00 0.00 C ATOM 943 CG TYR A 60 -1.529 -8.961 12.933 1.00 0.00 C ATOM 944 CD1 TYR A 60 -1.934 -10.168 13.489 1.00 0.00 C ATOM 945 CD2 TYR A 60 -2.043 -7.785 13.473 1.00 0.00 C ATOM 946 CE1 TYR A 60 -2.824 -10.204 14.546 1.00 0.00 C ATOM 947 CE2 TYR A 60 -2.932 -7.814 14.528 1.00 0.00 C ATOM 948 CZ TYR A 60 -3.320 -9.025 15.060 1.00 0.00 C ATOM 949 OH TYR A 60 -4.207 -9.057 16.113 1.00 0.00 O ATOM 0 H TYR A 60 0.660 -8.586 9.632 1.00 0.00 H new ATOM 0 HA TYR A 60 -1.570 -10.281 10.435 1.00 0.00 H new ATOM 0 HB2 TYR A 60 0.265 -9.621 11.989 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -0.111 -7.930 11.720 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.547 -11.093 13.089 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.741 -6.834 13.059 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -3.129 -11.151 14.967 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -3.322 -6.893 14.935 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.459 -8.142 16.356 1.00 0.00 H new ATOM 959 N ASP A 61 -1.986 -7.386 9.106 1.00 0.00 N ATOM 960 CA ASP A 61 -2.972 -6.379 8.766 1.00 0.00 C ATOM 961 C ASP A 61 -3.465 -6.499 7.347 1.00 0.00 C ATOM 962 O ASP A 61 -4.624 -6.827 7.107 1.00 0.00 O ATOM 963 CB ASP A 61 -2.424 -4.958 8.949 1.00 0.00 C ATOM 964 CG ASP A 61 -2.123 -4.559 10.372 1.00 0.00 C ATOM 965 OD1 ASP A 61 -0.988 -4.811 10.824 1.00 0.00 O ATOM 966 OD2 ASP A 61 -3.000 -3.903 11.015 1.00 0.00 O ATOM 0 H ASP A 61 -1.101 -7.315 8.604 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.801 -6.556 9.452 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.511 -4.860 8.361 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.146 -4.253 8.537 1.00 0.00 H new ATOM 971 N LEU A 62 -2.571 -6.187 6.391 1.00 0.00 N ATOM 972 CA LEU A 62 -2.937 -6.040 4.962 1.00 0.00 C ATOM 973 C LEU A 62 -3.996 -4.949 4.766 1.00 0.00 C ATOM 974 O LEU A 62 -4.713 -4.926 3.762 1.00 0.00 O ATOM 975 CB LEU A 62 -3.362 -7.365 4.281 1.00 0.00 C ATOM 976 CG LEU A 62 -2.227 -8.261 3.740 1.00 0.00 C ATOM 977 CD1 LEU A 62 -1.339 -8.787 4.851 1.00 0.00 C ATOM 978 CD2 LEU A 62 -2.797 -9.406 2.920 1.00 0.00 C ATOM 0 H LEU A 62 -1.581 -6.030 6.580 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.022 -5.731 4.457 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.942 -7.946 4.999 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.029 -7.124 3.453 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.603 -7.643 3.094 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.555 -9.412 4.425 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.887 -7.950 5.383 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.936 -9.378 5.545 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.983 -10.027 2.547 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.456 -10.009 3.545 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.362 -9.005 2.079 1.00 0.00 H new ATOM 990 N THR A 63 -4.084 -4.065 5.748 1.00 0.00 N ATOM 991 CA THR A 63 -4.956 -2.908 5.723 1.00 0.00 C ATOM 992 C THR A 63 -4.113 -1.632 6.049 1.00 0.00 C ATOM 993 O THR A 63 -4.616 -0.512 6.172 1.00 0.00 O ATOM 994 CB THR A 63 -6.191 -3.108 6.685 1.00 0.00 C ATOM 995 OG1 THR A 63 -7.091 -1.999 6.666 1.00 0.00 O ATOM 996 CG2 THR A 63 -5.766 -3.411 8.106 1.00 0.00 C ATOM 0 H THR A 63 -3.535 -4.137 6.605 1.00 0.00 H new ATOM 0 HA THR A 63 -5.383 -2.778 4.728 1.00 0.00 H new ATOM 0 HB THR A 63 -6.725 -3.975 6.296 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.914 -2.254 6.200 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.650 -3.541 8.730 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.174 -4.326 8.121 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.168 -2.585 8.491 1.00 0.00 H new ATOM 1004 N ARG A 64 -2.797 -1.826 6.152 1.00 0.00 N ATOM 1005 CA ARG A 64 -1.842 -0.738 6.405 1.00 0.00 C ATOM 1006 C ARG A 64 -0.745 -0.961 5.410 1.00 0.00 C ATOM 1007 O ARG A 64 -0.681 -2.043 4.834 1.00 0.00 O ATOM 1008 CB ARG A 64 -1.145 -0.829 7.784 1.00 0.00 C ATOM 1009 CG ARG A 64 -1.918 -1.452 8.911 1.00 0.00 C ATOM 1010 CD ARG A 64 -3.170 -0.717 9.303 1.00 0.00 C ATOM 1011 NE ARG A 64 -3.872 -1.501 10.308 1.00 0.00 N ATOM 1012 CZ ARG A 64 -5.091 -1.313 10.762 1.00 0.00 C ATOM 1013 NH1 ARG A 64 -5.852 -0.313 10.290 1.00 0.00 N ATOM 1014 NH2 ARG A 64 -5.571 -2.171 11.657 1.00 0.00 N ATOM 0 H ARG A 64 -2.359 -2.743 6.063 1.00 0.00 H new ATOM 0 HA ARG A 64 -2.375 0.211 6.351 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -0.221 -1.393 7.657 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -0.864 0.180 8.086 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -2.185 -2.471 8.629 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.268 -1.523 9.783 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -2.923 0.269 9.697 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -3.806 -0.562 8.432 1.00 0.00 H new ATOM 0 HE ARG A 64 -3.359 -2.287 10.706 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -5.486 0.311 9.571 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -6.797 -0.177 10.650 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -4.996 -2.951 11.975 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -6.514 -2.049 12.026 1.00 0.00 H new ATOM 1028 N GLY A 65 0.091 0.008 5.183 1.00 0.00 N ATOM 1029 CA GLY A 65 1.236 -0.247 4.362 1.00 0.00 C ATOM 1030 C GLY A 65 2.109 0.965 4.160 1.00 0.00 C ATOM 1031 O GLY A 65 1.707 2.095 4.461 1.00 0.00 O ATOM 0 H GLY A 65 0.007 0.958 5.544 1.00 0.00 H new ATOM 0 HA2 GLY A 65 1.829 -1.041 4.815 1.00 0.00 H new ATOM 0 HA3 GLY A 65 0.903 -0.612 3.390 1.00 0.00 H new ATOM 1035 N ARG A 66 3.300 0.735 3.674 1.00 0.00 N ATOM 1036 CA ARG A 66 4.257 1.779 3.441 1.00 0.00 C ATOM 1037 C ARG A 66 4.811 1.637 2.019 1.00 0.00 C ATOM 1038 O ARG A 66 5.249 0.566 1.630 1.00 0.00 O ATOM 1039 CB ARG A 66 5.367 1.674 4.504 1.00 0.00 C ATOM 1040 CG ARG A 66 6.261 2.919 4.629 1.00 0.00 C ATOM 1041 CD ARG A 66 7.452 2.849 3.726 1.00 0.00 C ATOM 1042 NE ARG A 66 8.375 1.810 4.177 1.00 0.00 N ATOM 1043 CZ ARG A 66 8.693 0.742 3.460 1.00 0.00 C ATOM 1044 NH1 ARG A 66 8.114 0.551 2.299 1.00 0.00 N ATOM 1045 NH2 ARG A 66 9.556 -0.164 3.929 1.00 0.00 N ATOM 0 H ARG A 66 3.635 -0.196 3.426 1.00 0.00 H new ATOM 0 HA ARG A 66 3.797 2.764 3.525 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.906 1.476 5.472 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.995 0.815 4.269 1.00 0.00 H new ATOM 0 HG2 ARG A 66 5.678 3.809 4.391 1.00 0.00 H new ATOM 0 HG3 ARG A 66 6.595 3.023 5.661 1.00 0.00 H new ATOM 0 HD2 ARG A 66 7.130 2.640 2.706 1.00 0.00 H new ATOM 0 HD3 ARG A 66 7.960 3.813 3.709 1.00 0.00 H new ATOM 0 HE ARG A 66 8.800 1.913 5.099 1.00 0.00 H new ATOM 0 HH11 ARG A 66 7.426 1.221 1.956 1.00 0.00 H new ATOM 0 HH12 ARG A 66 8.352 -0.268 1.739 1.00 0.00 H new ATOM 0 HH21 ARG A 66 9.978 -0.038 4.849 1.00 0.00 H new ATOM 0 HH22 ARG A 66 9.792 -0.982 3.367 1.00 0.00 H new ATOM 1059 N ILE A 67 4.792 2.710 1.264 1.00 0.00 N ATOM 1060 CA ILE A 67 5.213 2.681 -0.143 1.00 0.00 C ATOM 1061 C ILE A 67 6.661 3.105 -0.339 1.00 0.00 C ATOM 1062 O ILE A 67 7.095 4.164 0.157 1.00 0.00 O ATOM 1063 CB ILE A 67 4.271 3.536 -1.074 1.00 0.00 C ATOM 1064 CG1 ILE A 67 2.938 2.840 -1.311 1.00 0.00 C ATOM 1065 CG2 ILE A 67 4.913 3.881 -2.416 1.00 0.00 C ATOM 1066 CD1 ILE A 67 2.022 2.795 -0.131 1.00 0.00 C ATOM 0 H ILE A 67 4.489 3.627 1.591 1.00 0.00 H new ATOM 0 HA ILE A 67 5.129 1.635 -0.440 1.00 0.00 H new ATOM 0 HB ILE A 67 4.099 4.470 -0.538 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.424 3.344 -2.130 1.00 0.00 H new ATOM 0 HG13 ILE A 67 3.133 1.819 -1.638 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.216 4.470 -3.012 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.823 4.457 -2.247 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.159 2.962 -2.948 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.102 2.279 -0.404 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.508 2.262 0.686 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.788 3.811 0.187 1.00 0.00 H new ATOM 1078 N THR A 68 7.406 2.255 -1.005 1.00 0.00 N ATOM 1079 CA THR A 68 8.757 2.554 -1.412 1.00 0.00 C ATOM 1080 C THR A 68 8.869 2.804 -2.911 1.00 0.00 C ATOM 1081 O THR A 68 9.758 3.532 -3.355 1.00 0.00 O ATOM 1082 CB THR A 68 9.661 1.397 -1.041 1.00 0.00 C ATOM 1083 OG1 THR A 68 8.873 0.182 -1.059 1.00 0.00 O ATOM 1084 CG2 THR A 68 10.249 1.627 0.316 1.00 0.00 C ATOM 0 H THR A 68 7.087 1.327 -1.282 1.00 0.00 H new ATOM 0 HA THR A 68 9.058 3.466 -0.896 1.00 0.00 H new ATOM 0 HB THR A 68 10.482 1.311 -1.753 1.00 0.00 H new ATOM 0 HG1 THR A 68 9.075 -0.351 -0.262 1.00 0.00 H new ATOM 0 HG21 THR A 68 10.898 0.792 0.578 1.00 0.00 H new ATOM 0 HG22 THR A 68 10.830 2.550 0.309 1.00 0.00 H new ATOM 0 HG23 THR A 68 9.448 1.708 1.051 1.00 0.00 H new ATOM 1092 N TYR A 69 7.943 2.266 -3.687 1.00 0.00 N ATOM 1093 CA TYR A 69 8.042 2.406 -5.117 1.00 0.00 C ATOM 1094 C TYR A 69 6.701 2.777 -5.713 1.00 0.00 C ATOM 1095 O TYR A 69 5.649 2.303 -5.274 1.00 0.00 O ATOM 1096 CB TYR A 69 8.585 1.109 -5.756 1.00 0.00 C ATOM 1097 CG TYR A 69 9.085 1.258 -7.198 1.00 0.00 C ATOM 1098 CD1 TYR A 69 10.336 1.809 -7.453 1.00 0.00 C ATOM 1099 CD2 TYR A 69 8.322 0.840 -8.292 1.00 0.00 C ATOM 1100 CE1 TYR A 69 10.818 1.947 -8.743 1.00 0.00 C ATOM 1101 CE2 TYR A 69 8.804 0.970 -9.596 1.00 0.00 C ATOM 1102 CZ TYR A 69 10.055 1.528 -9.812 1.00 0.00 C ATOM 1103 OH TYR A 69 10.568 1.649 -11.112 1.00 0.00 O ATOM 0 H TYR A 69 7.134 1.741 -3.354 1.00 0.00 H new ATOM 0 HA TYR A 69 8.744 3.211 -5.333 1.00 0.00 H new ATOM 0 HB2 TYR A 69 9.403 0.733 -5.141 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.798 0.355 -5.736 1.00 0.00 H new ATOM 0 HD1 TYR A 69 10.946 2.137 -6.624 1.00 0.00 H new ATOM 0 HD2 TYR A 69 7.345 0.410 -8.126 1.00 0.00 H new ATOM 0 HE1 TYR A 69 11.792 2.383 -8.912 1.00 0.00 H new ATOM 0 HE2 TYR A 69 8.206 0.638 -10.432 1.00 0.00 H new ATOM 0 HH TYR A 69 9.912 1.309 -11.756 1.00 0.00 H new ATOM 1113 N ARG A 70 6.763 3.629 -6.680 1.00 0.00 N ATOM 1114 CA ARG A 70 5.634 4.111 -7.424 1.00 0.00 C ATOM 1115 C ARG A 70 5.858 3.749 -8.861 1.00 0.00 C ATOM 1116 O ARG A 70 7.018 3.743 -9.296 1.00 0.00 O ATOM 1117 CB ARG A 70 5.427 5.626 -7.299 1.00 0.00 C ATOM 1118 CG ARG A 70 6.583 6.503 -7.787 1.00 0.00 C ATOM 1119 CD ARG A 70 6.043 7.795 -8.391 1.00 0.00 C ATOM 1120 NE ARG A 70 5.242 7.488 -9.590 1.00 0.00 N ATOM 1121 CZ ARG A 70 3.945 7.793 -9.778 1.00 0.00 C ATOM 1122 NH1 ARG A 70 3.307 8.636 -8.965 1.00 0.00 N ATOM 1123 NH2 ARG A 70 3.312 7.282 -10.817 1.00 0.00 N ATOM 0 H ARG A 70 7.646 4.033 -6.994 1.00 0.00 H new ATOM 0 HA ARG A 70 4.733 3.650 -7.020 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.531 5.898 -7.856 1.00 0.00 H new ATOM 0 HB3 ARG A 70 5.235 5.861 -6.252 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.251 6.732 -6.957 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.171 5.963 -8.530 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.431 8.322 -7.659 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.868 8.458 -8.653 1.00 0.00 H new ATOM 0 HE ARG A 70 5.716 6.998 -10.349 1.00 0.00 H new ATOM 0 HH11 ARG A 70 3.803 9.063 -8.183 1.00 0.00 H new ATOM 0 HH12 ARG A 70 2.323 8.853 -9.126 1.00 0.00 H new ATOM 0 HH21 ARG A 70 3.806 6.666 -11.463 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.329 7.503 -10.974 1.00 0.00 H new