USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 631 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 83 SER OG : rot 10:sc= 0.108 USER MOD Set 1.2: A 88 THR OG1 : rot 180:sc= -0.0535 USER MOD Set 2.1: A 33 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 34 HIS : no HD1:sc= -0.014 X(o=-0.014,f=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -154:sc= -0.172 (180deg=-1.03) USER MOD Single : A 16 LYS NZ :NH3+ -157:sc= -0.105 (180deg=-0.628) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.0975 USER MOD Single : A 18 MET CE :methyl 172:sc= -0.334 (180deg=-0.495) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot 113:sc= -0.304 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 170:sc= 0 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 30:sc= 0.00209 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.836 K(o=-0.84,f=-3.4!) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.0711 USER MOD Single : A 61 GLN : amide:sc= -0.327 X(o=-0.33,f=-0.21) USER MOD Single : A 64 LYS NZ :NH3+ -133:sc= 0 (180deg=-0.0492) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 120:sc= -0.0168 USER MOD Single : A 90 LYS NZ :NH3+ -161:sc= -0.0377 (180deg=-0.306) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 100 N GLY A 10 0.664 17.478 -6.170 1.00 0.00 N ATOM 101 CA GLY A 10 -0.082 16.233 -6.147 1.00 0.00 C ATOM 102 C GLY A 10 0.820 15.017 -6.089 1.00 0.00 C ATOM 103 O GLY A 10 1.937 15.088 -5.575 1.00 0.00 O ATOM 0 HA2 GLY A 10 -0.748 16.228 -5.284 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.710 16.173 -7.036 1.00 0.00 H new ATOM 107 N ILE A 11 0.336 13.897 -6.617 1.00 0.00 N ATOM 108 CA ILE A 11 1.107 12.660 -6.622 1.00 0.00 C ATOM 109 C ILE A 11 1.646 12.355 -8.015 1.00 0.00 C ATOM 110 O ILE A 11 0.890 12.287 -8.985 1.00 0.00 O ATOM 111 CB ILE A 11 0.261 11.468 -6.138 1.00 0.00 C ATOM 112 CG1 ILE A 11 -0.480 11.830 -4.849 1.00 0.00 C ATOM 113 CG2 ILE A 11 1.142 10.246 -5.924 1.00 0.00 C ATOM 114 CD1 ILE A 11 -1.656 10.926 -4.554 1.00 0.00 C ATOM 0 H ILE A 11 -0.586 13.821 -7.047 1.00 0.00 H new ATOM 0 HA ILE A 11 1.941 12.805 -5.936 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.477 11.230 -6.904 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.219 11.788 -4.014 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.832 12.859 -4.919 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.530 9.412 -5.582 1.00 0.00 H new ATOM 0 HG22 ILE A 11 1.628 9.979 -6.862 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.900 10.471 -5.174 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.134 11.241 -3.626 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.375 10.986 -5.371 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.308 9.898 -4.452 1.00 0.00 H new ATOM 126 N THR A 12 2.959 12.168 -8.109 1.00 0.00 N ATOM 127 CA THR A 12 3.600 11.869 -9.383 1.00 0.00 C ATOM 128 C THR A 12 3.765 10.366 -9.575 1.00 0.00 C ATOM 129 O THR A 12 3.756 9.869 -10.702 1.00 0.00 O ATOM 130 CB THR A 12 4.981 12.543 -9.489 1.00 0.00 C ATOM 131 OG1 THR A 12 5.681 12.049 -10.636 1.00 0.00 O ATOM 132 CG2 THR A 12 5.806 12.287 -8.237 1.00 0.00 C ATOM 0 H THR A 12 3.599 12.219 -7.317 1.00 0.00 H new ATOM 0 HA THR A 12 2.950 12.264 -10.164 1.00 0.00 H new ATOM 0 HB THR A 12 4.829 13.617 -9.592 1.00 0.00 H new ATOM 0 HG1 THR A 12 6.557 12.484 -10.697 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.777 12.773 -8.335 1.00 0.00 H new ATOM 0 HG22 THR A 12 5.285 12.690 -7.369 1.00 0.00 H new ATOM 0 HG23 THR A 12 5.949 11.214 -8.108 1.00 0.00 H new ATOM 140 N LYS A 13 3.914 9.645 -8.469 1.00 0.00 N ATOM 141 CA LYS A 13 4.079 8.197 -8.515 1.00 0.00 C ATOM 142 C LYS A 13 2.876 7.493 -7.896 1.00 0.00 C ATOM 143 O LYS A 13 2.955 6.970 -6.784 1.00 0.00 O ATOM 144 CB LYS A 13 5.358 7.785 -7.782 1.00 0.00 C ATOM 145 CG LYS A 13 5.574 6.282 -7.735 1.00 0.00 C ATOM 146 CD LYS A 13 6.350 5.792 -8.945 1.00 0.00 C ATOM 147 CE LYS A 13 7.851 5.848 -8.705 1.00 0.00 C ATOM 148 NZ LYS A 13 8.422 7.175 -9.067 1.00 0.00 N ATOM 0 H LYS A 13 3.924 10.040 -7.529 1.00 0.00 H new ATOM 0 HA LYS A 13 4.155 7.898 -9.560 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.213 8.252 -8.271 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.323 8.171 -6.763 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.113 6.019 -6.825 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.609 5.776 -7.691 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.056 4.769 -9.177 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.096 6.401 -9.812 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.059 5.637 -7.656 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.341 5.070 -9.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.426 7.065 -9.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.904 7.566 -9.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.335 7.823 -8.258 1.00 0.00 H new ATOM 162 N ARG A 14 1.764 7.481 -8.624 1.00 0.00 N ATOM 163 CA ARG A 14 0.545 6.840 -8.146 1.00 0.00 C ATOM 164 C ARG A 14 0.775 5.353 -7.893 1.00 0.00 C ATOM 165 O ARG A 14 1.558 4.708 -8.592 1.00 0.00 O ATOM 166 CB ARG A 14 -0.586 7.027 -9.159 1.00 0.00 C ATOM 167 CG ARG A 14 -0.299 6.403 -10.515 1.00 0.00 C ATOM 168 CD ARG A 14 -1.220 6.957 -11.590 1.00 0.00 C ATOM 169 NE ARG A 14 -0.674 8.161 -12.212 1.00 0.00 N ATOM 170 CZ ARG A 14 0.301 8.144 -13.113 1.00 0.00 C ATOM 171 NH1 ARG A 14 0.835 6.993 -13.496 1.00 0.00 N ATOM 172 NH2 ARG A 14 0.744 9.282 -13.633 1.00 0.00 N ATOM 0 H ARG A 14 1.682 7.908 -9.547 1.00 0.00 H new ATOM 0 HA ARG A 14 0.262 7.311 -7.205 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.500 6.592 -8.755 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.771 8.093 -9.291 1.00 0.00 H new ATOM 0 HG2 ARG A 14 0.739 6.591 -10.791 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -0.421 5.322 -10.452 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -1.384 6.197 -12.354 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -2.192 7.184 -11.153 1.00 0.00 H new ATOM 0 HE ARG A 14 -1.063 9.064 -11.939 1.00 0.00 H new ATOM 0 HH11 ARG A 14 0.497 6.117 -13.098 1.00 0.00 H new ATOM 0 HH12 ARG A 14 1.584 6.984 -14.188 1.00 0.00 H new ATOM 0 HH21 ARG A 14 0.335 10.170 -13.340 1.00 0.00 H new ATOM 0 HH22 ARG A 14 1.493 9.269 -14.325 1.00 0.00 H new ATOM 186 N LEU A 15 0.090 4.816 -6.890 1.00 0.00 N ATOM 187 CA LEU A 15 0.220 3.405 -6.545 1.00 0.00 C ATOM 188 C LEU A 15 0.100 2.526 -7.786 1.00 0.00 C ATOM 189 O LEU A 15 -0.773 2.739 -8.628 1.00 0.00 O ATOM 190 CB LEU A 15 -0.847 3.009 -5.522 1.00 0.00 C ATOM 191 CG LEU A 15 -0.608 3.481 -4.087 1.00 0.00 C ATOM 192 CD1 LEU A 15 -1.849 3.256 -3.237 1.00 0.00 C ATOM 193 CD2 LEU A 15 0.591 2.765 -3.483 1.00 0.00 C ATOM 0 H LEU A 15 -0.561 5.336 -6.301 1.00 0.00 H new ATOM 0 HA LEU A 15 1.208 3.254 -6.109 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.807 3.402 -5.857 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.931 1.922 -5.517 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.396 4.550 -4.107 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.660 3.598 -2.219 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.685 3.815 -3.658 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.093 2.194 -3.223 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.746 3.113 -2.462 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.408 1.691 -3.476 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.479 2.978 -4.078 1.00 0.00 H new ATOM 205 N LYS A 16 0.980 1.537 -7.892 1.00 0.00 N ATOM 206 CA LYS A 16 0.972 0.624 -9.028 1.00 0.00 C ATOM 207 C LYS A 16 0.388 -0.729 -8.634 1.00 0.00 C ATOM 208 O LYS A 16 0.646 -1.235 -7.541 1.00 0.00 O ATOM 209 CB LYS A 16 2.391 0.440 -9.572 1.00 0.00 C ATOM 210 CG LYS A 16 2.447 -0.335 -10.877 1.00 0.00 C ATOM 211 CD LYS A 16 3.845 -0.323 -11.473 1.00 0.00 C ATOM 212 CE LYS A 16 4.139 0.992 -12.179 1.00 0.00 C ATOM 213 NZ LYS A 16 3.209 1.230 -13.317 1.00 0.00 N ATOM 0 H LYS A 16 1.709 1.347 -7.204 1.00 0.00 H new ATOM 0 HA LYS A 16 0.345 1.058 -9.807 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.843 1.420 -9.722 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.993 -0.078 -8.825 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.133 -1.364 -10.704 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.743 0.097 -11.588 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.579 -0.486 -10.684 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.948 -1.147 -12.179 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.058 1.813 -11.466 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.166 0.987 -12.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.648 1.887 -13.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.006 0.328 -13.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.322 1.641 -12.961 1.00 0.00 H new ATOM 227 N THR A 17 -0.399 -1.313 -9.532 1.00 0.00 N ATOM 228 CA THR A 17 -1.019 -2.608 -9.278 1.00 0.00 C ATOM 229 C THR A 17 0.033 -3.678 -9.012 1.00 0.00 C ATOM 230 O THR A 17 1.050 -3.747 -9.701 1.00 0.00 O ATOM 231 CB THR A 17 -1.898 -3.051 -10.463 1.00 0.00 C ATOM 232 OG1 THR A 17 -2.970 -2.121 -10.653 1.00 0.00 O ATOM 233 CG2 THR A 17 -2.464 -4.444 -10.225 1.00 0.00 C ATOM 0 H THR A 17 -0.622 -0.910 -10.442 1.00 0.00 H new ATOM 0 HA THR A 17 -1.646 -2.491 -8.394 1.00 0.00 H new ATOM 0 HB THR A 17 -1.277 -3.076 -11.358 1.00 0.00 H new ATOM 0 HG1 THR A 17 -3.523 -2.409 -11.409 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.081 -4.736 -11.075 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.645 -5.155 -10.110 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.071 -4.440 -9.320 1.00 0.00 H new ATOM 241 N MET A 18 -0.219 -4.512 -8.008 1.00 0.00 N ATOM 242 CA MET A 18 0.707 -5.581 -7.653 1.00 0.00 C ATOM 243 C MET A 18 0.013 -6.939 -7.701 1.00 0.00 C ATOM 244 O MET A 18 -1.183 -7.045 -7.434 1.00 0.00 O ATOM 245 CB MET A 18 1.285 -5.341 -6.257 1.00 0.00 C ATOM 246 CG MET A 18 2.445 -4.358 -6.241 1.00 0.00 C ATOM 247 SD MET A 18 3.310 -4.330 -4.659 1.00 0.00 S ATOM 248 CE MET A 18 4.150 -5.912 -4.706 1.00 0.00 C ATOM 0 H MET A 18 -1.056 -4.468 -7.427 1.00 0.00 H new ATOM 0 HA MET A 18 1.519 -5.581 -8.380 1.00 0.00 H new ATOM 0 HB2 MET A 18 0.495 -4.969 -5.604 1.00 0.00 H new ATOM 0 HB3 MET A 18 1.619 -6.292 -5.843 1.00 0.00 H new ATOM 0 HG2 MET A 18 3.149 -4.620 -7.031 1.00 0.00 H new ATOM 0 HG3 MET A 18 2.072 -3.358 -6.465 1.00 0.00 H new ATOM 0 HE1 MET A 18 4.839 -5.983 -3.864 1.00 0.00 H new ATOM 0 HE2 MET A 18 3.416 -6.716 -4.643 1.00 0.00 H new ATOM 0 HE3 MET A 18 4.707 -6.001 -5.639 1.00 0.00 H new ATOM 258 N GLU A 19 0.773 -7.975 -8.045 1.00 0.00 N ATOM 259 CA GLU A 19 0.230 -9.325 -8.130 1.00 0.00 C ATOM 260 C GLU A 19 0.978 -10.272 -7.196 1.00 0.00 C ATOM 261 O GLU A 19 2.176 -10.505 -7.359 1.00 0.00 O ATOM 262 CB GLU A 19 0.309 -9.842 -9.568 1.00 0.00 C ATOM 263 CG GLU A 19 -0.369 -8.932 -10.579 1.00 0.00 C ATOM 264 CD GLU A 19 0.541 -7.821 -11.066 1.00 0.00 C ATOM 265 OE1 GLU A 19 1.387 -8.088 -11.945 1.00 0.00 O ATOM 266 OE2 GLU A 19 0.407 -6.684 -10.568 1.00 0.00 O ATOM 0 H GLU A 19 1.766 -7.904 -8.269 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.815 -9.288 -7.822 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.356 -9.963 -9.845 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.149 -10.830 -9.616 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.700 -9.525 -11.431 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.260 -8.495 -10.129 1.00 0.00 H new ATOM 273 N VAL A 20 0.263 -10.815 -6.216 1.00 0.00 N ATOM 274 CA VAL A 20 0.858 -11.737 -5.256 1.00 0.00 C ATOM 275 C VAL A 20 -0.035 -12.954 -5.037 1.00 0.00 C ATOM 276 O VAL A 20 -1.062 -13.112 -5.698 1.00 0.00 O ATOM 277 CB VAL A 20 1.111 -11.050 -3.901 1.00 0.00 C ATOM 278 CG1 VAL A 20 1.633 -9.636 -4.109 1.00 0.00 C ATOM 279 CG2 VAL A 20 -0.158 -11.041 -3.062 1.00 0.00 C ATOM 0 H VAL A 20 -0.729 -10.632 -6.066 1.00 0.00 H new ATOM 0 HA VAL A 20 1.811 -12.059 -5.675 1.00 0.00 H new ATOM 0 HB VAL A 20 1.870 -11.617 -3.362 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.806 -9.166 -3.141 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.568 -9.672 -4.667 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.899 -9.056 -4.668 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.040 -10.552 -2.108 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.941 -10.499 -3.592 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.483 -12.066 -2.883 1.00 0.00 H new ATOM 289 N LEU A 21 0.363 -13.812 -4.104 1.00 0.00 N ATOM 290 CA LEU A 21 -0.401 -15.016 -3.796 1.00 0.00 C ATOM 291 C LEU A 21 -1.044 -14.915 -2.416 1.00 0.00 C ATOM 292 O LEU A 21 -0.501 -14.279 -1.514 1.00 0.00 O ATOM 293 CB LEU A 21 0.503 -16.248 -3.860 1.00 0.00 C ATOM 294 CG LEU A 21 -0.193 -17.600 -3.706 1.00 0.00 C ATOM 295 CD1 LEU A 21 -0.931 -17.969 -4.984 1.00 0.00 C ATOM 296 CD2 LEU A 21 0.814 -18.680 -3.340 1.00 0.00 C ATOM 0 H LEU A 21 1.210 -13.696 -3.548 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.192 -15.114 -4.539 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.028 -16.239 -4.815 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.259 -16.160 -3.080 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.921 -17.522 -2.899 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.420 -18.934 -4.856 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.680 -17.209 -5.204 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.222 -18.029 -5.809 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.300 -19.636 -3.234 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.566 -18.757 -4.125 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.298 -18.422 -2.398 1.00 0.00 H new ATOM 308 N GLU A 22 -2.203 -15.548 -2.262 1.00 0.00 N ATOM 309 CA GLU A 22 -2.919 -15.529 -0.991 1.00 0.00 C ATOM 310 C GLU A 22 -1.995 -15.917 0.159 1.00 0.00 C ATOM 311 O GLU A 22 -1.352 -16.966 0.128 1.00 0.00 O ATOM 312 CB GLU A 22 -4.116 -16.481 -1.042 1.00 0.00 C ATOM 313 CG GLU A 22 -4.636 -16.878 0.330 1.00 0.00 C ATOM 314 CD GLU A 22 -5.769 -17.883 0.256 1.00 0.00 C ATOM 315 OE1 GLU A 22 -6.601 -17.772 -0.669 1.00 0.00 O ATOM 316 OE2 GLU A 22 -5.823 -18.781 1.122 1.00 0.00 O ATOM 0 H GLU A 22 -2.666 -16.079 -3.000 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.278 -14.514 -0.819 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.922 -16.009 -1.604 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.831 -17.381 -1.588 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.819 -17.299 0.916 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.979 -15.987 0.856 1.00 0.00 H new ATOM 323 N GLY A 23 -1.933 -15.062 1.176 1.00 0.00 N ATOM 324 CA GLY A 23 -1.086 -15.332 2.322 1.00 0.00 C ATOM 325 C GLY A 23 0.227 -14.576 2.263 1.00 0.00 C ATOM 326 O GLY A 23 0.633 -13.949 3.241 1.00 0.00 O ATOM 0 H GLY A 23 -2.455 -14.187 1.226 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.617 -15.061 3.234 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.884 -16.402 2.377 1.00 0.00 H new ATOM 330 N GLU A 24 0.892 -14.637 1.114 1.00 0.00 N ATOM 331 CA GLU A 24 2.168 -13.954 0.934 1.00 0.00 C ATOM 332 C GLU A 24 2.072 -12.497 1.376 1.00 0.00 C ATOM 333 O GLU A 24 1.005 -12.024 1.766 1.00 0.00 O ATOM 334 CB GLU A 24 2.608 -14.026 -0.530 1.00 0.00 C ATOM 335 CG GLU A 24 3.026 -15.418 -0.972 1.00 0.00 C ATOM 336 CD GLU A 24 4.474 -15.725 -0.640 1.00 0.00 C ATOM 337 OE1 GLU A 24 5.341 -14.872 -0.925 1.00 0.00 O ATOM 338 OE2 GLU A 24 4.740 -16.817 -0.097 1.00 0.00 O ATOM 0 H GLU A 24 0.569 -15.152 0.295 1.00 0.00 H new ATOM 0 HA GLU A 24 2.910 -14.456 1.554 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.790 -13.683 -1.164 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.440 -13.340 -0.685 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.383 -16.156 -0.493 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.875 -15.514 -2.047 1.00 0.00 H new ATOM 345 N SER A 25 3.197 -11.791 1.314 1.00 0.00 N ATOM 346 CA SER A 25 3.242 -10.389 1.712 1.00 0.00 C ATOM 347 C SER A 25 3.683 -9.507 0.548 1.00 0.00 C ATOM 348 O SER A 25 4.531 -9.899 -0.255 1.00 0.00 O ATOM 349 CB SER A 25 4.193 -10.203 2.896 1.00 0.00 C ATOM 350 OG SER A 25 5.511 -10.597 2.558 1.00 0.00 O ATOM 0 H SER A 25 4.089 -12.167 0.992 1.00 0.00 H new ATOM 0 HA SER A 25 2.237 -10.090 2.011 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.191 -9.158 3.208 1.00 0.00 H new ATOM 0 HB3 SER A 25 3.841 -10.789 3.745 1.00 0.00 H new ATOM 0 HG SER A 25 6.100 -10.467 3.331 1.00 0.00 H new ATOM 356 N CYS A 26 3.103 -8.315 0.464 1.00 0.00 N ATOM 357 CA CYS A 26 3.435 -7.377 -0.603 1.00 0.00 C ATOM 358 C CYS A 26 3.693 -5.983 -0.039 1.00 0.00 C ATOM 359 O CYS A 26 3.017 -5.544 0.891 1.00 0.00 O ATOM 360 CB CYS A 26 2.305 -7.323 -1.633 1.00 0.00 C ATOM 361 SG CYS A 26 0.838 -6.427 -1.073 1.00 0.00 S ATOM 0 H CYS A 26 2.401 -7.975 1.121 1.00 0.00 H new ATOM 0 HA CYS A 26 4.345 -7.726 -1.091 1.00 0.00 H new ATOM 0 HB2 CYS A 26 2.679 -6.853 -2.543 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.018 -8.341 -1.895 1.00 0.00 H new ATOM 0 HG CYS A 26 0.697 -5.342 -1.776 1.00 0.00 H new ATOM 367 N SER A 27 4.676 -5.293 -0.609 1.00 0.00 N ATOM 368 CA SER A 27 5.027 -3.951 -0.160 1.00 0.00 C ATOM 369 C SER A 27 4.697 -2.916 -1.231 1.00 0.00 C ATOM 370 O SER A 27 5.061 -3.074 -2.397 1.00 0.00 O ATOM 371 CB SER A 27 6.514 -3.881 0.192 1.00 0.00 C ATOM 372 OG SER A 27 7.315 -4.336 -0.885 1.00 0.00 O ATOM 0 H SER A 27 5.243 -5.641 -1.382 1.00 0.00 H new ATOM 0 HA SER A 27 4.439 -3.727 0.730 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.784 -2.855 0.442 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.710 -4.487 1.077 1.00 0.00 H new ATOM 0 HG SER A 27 8.261 -4.280 -0.636 1.00 0.00 H new ATOM 378 N PHE A 28 4.004 -1.856 -0.828 1.00 0.00 N ATOM 379 CA PHE A 28 3.623 -0.795 -1.752 1.00 0.00 C ATOM 380 C PHE A 28 4.490 0.444 -1.545 1.00 0.00 C ATOM 381 O PHE A 28 5.191 0.562 -0.540 1.00 0.00 O ATOM 382 CB PHE A 28 2.148 -0.435 -1.569 1.00 0.00 C ATOM 383 CG PHE A 28 1.211 -1.355 -2.299 1.00 0.00 C ATOM 384 CD1 PHE A 28 1.228 -1.427 -3.682 1.00 0.00 C ATOM 385 CD2 PHE A 28 0.313 -2.147 -1.602 1.00 0.00 C ATOM 386 CE1 PHE A 28 0.368 -2.272 -4.358 1.00 0.00 C ATOM 387 CE2 PHE A 28 -0.549 -2.995 -2.271 1.00 0.00 C ATOM 388 CZ PHE A 28 -0.522 -3.057 -3.651 1.00 0.00 C ATOM 0 H PHE A 28 3.695 -1.709 0.133 1.00 0.00 H new ATOM 0 HA PHE A 28 3.777 -1.160 -2.768 1.00 0.00 H new ATOM 0 HB2 PHE A 28 1.907 -0.453 -0.506 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.986 0.586 -1.916 1.00 0.00 H new ATOM 0 HD1 PHE A 28 1.922 -0.815 -4.239 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.286 -2.101 -0.523 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.392 -2.318 -5.437 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -1.243 -3.609 -1.716 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.196 -3.718 -4.176 1.00 0.00 H new ATOM 398 N GLU A 29 4.436 1.364 -2.503 1.00 0.00 N ATOM 399 CA GLU A 29 5.217 2.593 -2.426 1.00 0.00 C ATOM 400 C GLU A 29 4.482 3.748 -3.101 1.00 0.00 C ATOM 401 O GLU A 29 3.922 3.591 -4.187 1.00 0.00 O ATOM 402 CB GLU A 29 6.587 2.395 -3.078 1.00 0.00 C ATOM 403 CG GLU A 29 7.432 1.327 -2.405 1.00 0.00 C ATOM 404 CD GLU A 29 8.589 0.867 -3.271 1.00 0.00 C ATOM 405 OE1 GLU A 29 9.483 1.692 -3.554 1.00 0.00 O ATOM 406 OE2 GLU A 29 8.601 -0.318 -3.664 1.00 0.00 O ATOM 0 H GLU A 29 3.860 1.282 -3.341 1.00 0.00 H new ATOM 0 HA GLU A 29 5.356 2.839 -1.373 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.446 2.129 -4.126 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.129 3.341 -3.059 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.820 1.716 -1.463 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.803 0.471 -2.161 1.00 0.00 H new ATOM 413 N CYS A 30 4.488 4.906 -2.451 1.00 0.00 N ATOM 414 CA CYS A 30 3.821 6.087 -2.987 1.00 0.00 C ATOM 415 C CYS A 30 4.681 7.332 -2.792 1.00 0.00 C ATOM 416 O CYS A 30 4.889 7.786 -1.667 1.00 0.00 O ATOM 417 CB CYS A 30 2.462 6.281 -2.313 1.00 0.00 C ATOM 418 SG CYS A 30 1.483 7.636 -3.003 1.00 0.00 S ATOM 0 H CYS A 30 4.947 5.053 -1.552 1.00 0.00 H new ATOM 0 HA CYS A 30 3.670 5.935 -4.056 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.892 5.356 -2.396 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.618 6.465 -1.250 1.00 0.00 H new ATOM 0 HG CYS A 30 0.277 7.589 -2.521 1.00 0.00 H new ATOM 424 N VAL A 31 5.180 7.879 -3.896 1.00 0.00 N ATOM 425 CA VAL A 31 6.018 9.071 -3.847 1.00 0.00 C ATOM 426 C VAL A 31 5.212 10.323 -4.175 1.00 0.00 C ATOM 427 O VAL A 31 4.572 10.406 -5.224 1.00 0.00 O ATOM 428 CB VAL A 31 7.202 8.965 -4.826 1.00 0.00 C ATOM 429 CG1 VAL A 31 8.205 10.080 -4.574 1.00 0.00 C ATOM 430 CG2 VAL A 31 7.868 7.602 -4.711 1.00 0.00 C ATOM 0 H VAL A 31 5.018 7.515 -4.835 1.00 0.00 H new ATOM 0 HA VAL A 31 6.403 9.146 -2.830 1.00 0.00 H new ATOM 0 HB VAL A 31 6.822 9.074 -5.842 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.034 9.989 -5.275 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.718 11.045 -4.712 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.582 10.006 -3.554 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.702 7.545 -5.410 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.236 7.461 -3.695 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.144 6.822 -4.946 1.00 0.00 H new ATOM 440 N LEU A 32 5.249 11.296 -3.271 1.00 0.00 N ATOM 441 CA LEU A 32 4.522 12.547 -3.464 1.00 0.00 C ATOM 442 C LEU A 32 5.418 13.605 -4.099 1.00 0.00 C ATOM 443 O LEU A 32 6.596 13.720 -3.759 1.00 0.00 O ATOM 444 CB LEU A 32 3.980 13.055 -2.127 1.00 0.00 C ATOM 445 CG LEU A 32 3.162 12.055 -1.310 1.00 0.00 C ATOM 446 CD1 LEU A 32 2.792 12.645 0.042 1.00 0.00 C ATOM 447 CD2 LEU A 32 1.913 11.638 -2.072 1.00 0.00 C ATOM 0 H LEU A 32 5.774 11.243 -2.398 1.00 0.00 H new ATOM 0 HA LEU A 32 3.687 12.354 -4.138 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.822 13.387 -1.519 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.360 13.931 -2.319 1.00 0.00 H new ATOM 0 HG LEU A 32 3.773 11.168 -1.141 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.210 11.918 0.609 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.700 12.891 0.592 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.200 13.549 -0.105 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.343 10.926 -1.475 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.299 12.516 -2.273 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.200 11.173 -3.015 1.00 0.00 H new ATOM 459 N SER A 33 4.852 14.378 -5.020 1.00 0.00 N ATOM 460 CA SER A 33 5.600 15.427 -5.703 1.00 0.00 C ATOM 461 C SER A 33 6.416 16.248 -4.709 1.00 0.00 C ATOM 462 O SER A 33 7.595 16.523 -4.933 1.00 0.00 O ATOM 463 CB SER A 33 4.647 16.341 -6.476 1.00 0.00 C ATOM 464 OG SER A 33 5.174 17.652 -6.584 1.00 0.00 O ATOM 0 H SER A 33 3.878 14.298 -5.311 1.00 0.00 H new ATOM 0 HA SER A 33 6.286 14.952 -6.405 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.473 15.932 -7.471 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.681 16.374 -5.972 1.00 0.00 H new ATOM 0 HG SER A 33 4.547 18.216 -7.083 1.00 0.00 H new ATOM 470 N HIS A 34 5.779 16.637 -3.609 1.00 0.00 N ATOM 471 CA HIS A 34 6.444 17.426 -2.578 1.00 0.00 C ATOM 472 C HIS A 34 6.843 16.549 -1.395 1.00 0.00 C ATOM 473 O HIS A 34 6.550 15.355 -1.370 1.00 0.00 O ATOM 474 CB HIS A 34 5.533 18.558 -2.105 1.00 0.00 C ATOM 475 CG HIS A 34 5.653 19.806 -2.925 1.00 0.00 C ATOM 476 ND1 HIS A 34 5.406 21.065 -2.419 1.00 0.00 N ATOM 477 CD2 HIS A 34 5.997 19.984 -4.221 1.00 0.00 C ATOM 478 CE1 HIS A 34 5.592 21.963 -3.370 1.00 0.00 C ATOM 479 NE2 HIS A 34 5.951 21.333 -4.474 1.00 0.00 N ATOM 0 H HIS A 34 4.803 16.419 -3.409 1.00 0.00 H new ATOM 0 HA HIS A 34 7.348 17.855 -3.010 1.00 0.00 H new ATOM 0 HB2 HIS A 34 4.499 18.215 -2.129 1.00 0.00 H new ATOM 0 HB3 HIS A 34 5.767 18.792 -1.066 1.00 0.00 H new ATOM 0 HD2 HIS A 34 6.259 19.209 -4.926 1.00 0.00 H new ATOM 0 HE1 HIS A 34 5.471 23.031 -3.263 1.00 0.00 H new ATOM 0 HE2 HIS A 34 6.160 21.776 -5.369 1.00 0.00 H new ATOM 547 N PRO A 40 0.022 14.225 8.789 1.00 0.00 N ATOM 548 CA PRO A 40 -0.312 12.832 9.104 1.00 0.00 C ATOM 549 C PRO A 40 -0.590 12.006 7.853 1.00 0.00 C ATOM 550 O PRO A 40 -0.808 12.553 6.772 1.00 0.00 O ATOM 551 CB PRO A 40 -1.577 12.955 9.957 1.00 0.00 C ATOM 552 CG PRO A 40 -2.188 14.248 9.544 1.00 0.00 C ATOM 553 CD PRO A 40 -1.041 15.157 9.199 1.00 0.00 C ATOM 0 HA PRO A 40 0.508 12.319 9.606 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.257 12.121 9.780 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -1.339 12.951 11.021 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.849 14.111 8.688 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -2.791 14.669 10.348 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.302 15.847 8.396 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -0.737 15.762 10.053 1.00 0.00 H new ATOM 561 N ALA A 41 -0.583 10.686 8.008 1.00 0.00 N ATOM 562 CA ALA A 41 -0.838 9.784 6.891 1.00 0.00 C ATOM 563 C ALA A 41 -1.912 8.762 7.245 1.00 0.00 C ATOM 564 O ALA A 41 -1.787 8.031 8.227 1.00 0.00 O ATOM 565 CB ALA A 41 0.447 9.082 6.476 1.00 0.00 C ATOM 0 H ALA A 41 -0.404 10.217 8.896 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.202 10.377 6.052 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.242 8.412 5.641 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.185 9.824 6.173 1.00 0.00 H new ATOM 0 HB3 ALA A 41 0.835 8.507 7.317 1.00 0.00 H new ATOM 571 N MET A 42 -2.968 8.717 6.439 1.00 0.00 N ATOM 572 CA MET A 42 -4.064 7.783 6.668 1.00 0.00 C ATOM 573 C MET A 42 -4.069 6.681 5.613 1.00 0.00 C ATOM 574 O MET A 42 -4.638 6.844 4.534 1.00 0.00 O ATOM 575 CB MET A 42 -5.403 8.522 6.656 1.00 0.00 C ATOM 576 CG MET A 42 -6.499 7.806 7.428 1.00 0.00 C ATOM 577 SD MET A 42 -8.153 8.320 6.926 1.00 0.00 S ATOM 578 CE MET A 42 -9.145 7.008 7.634 1.00 0.00 C ATOM 0 H MET A 42 -3.088 9.316 5.622 1.00 0.00 H new ATOM 0 HA MET A 42 -3.919 7.325 7.646 1.00 0.00 H new ATOM 0 HB2 MET A 42 -5.263 9.517 7.078 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.725 8.656 5.623 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.397 6.731 7.282 1.00 0.00 H new ATOM 0 HG3 MET A 42 -6.371 7.997 8.494 1.00 0.00 H new ATOM 0 HE1 MET A 42 -10.197 7.185 7.408 1.00 0.00 H new ATOM 0 HE2 MET A 42 -8.839 6.051 7.211 1.00 0.00 H new ATOM 0 HE3 MET A 42 -9.004 6.988 8.715 1.00 0.00 H new ATOM 588 N TRP A 43 -3.431 5.560 5.932 1.00 0.00 N ATOM 589 CA TRP A 43 -3.361 4.432 5.010 1.00 0.00 C ATOM 590 C TRP A 43 -4.645 3.611 5.058 1.00 0.00 C ATOM 591 O TRP A 43 -5.102 3.214 6.130 1.00 0.00 O ATOM 592 CB TRP A 43 -2.162 3.545 5.347 1.00 0.00 C ATOM 593 CG TRP A 43 -0.891 3.990 4.688 1.00 0.00 C ATOM 594 CD1 TRP A 43 0.129 4.692 5.264 1.00 0.00 C ATOM 595 CD2 TRP A 43 -0.506 3.763 3.327 1.00 0.00 C ATOM 596 NE1 TRP A 43 1.124 4.916 4.343 1.00 0.00 N ATOM 597 CE2 TRP A 43 0.759 4.355 3.148 1.00 0.00 C ATOM 598 CE3 TRP A 43 -1.107 3.116 2.244 1.00 0.00 C ATOM 599 CZ2 TRP A 43 1.431 4.320 1.929 1.00 0.00 C ATOM 600 CZ3 TRP A 43 -0.438 3.082 1.035 1.00 0.00 C ATOM 601 CH2 TRP A 43 0.820 3.680 0.886 1.00 0.00 C ATOM 0 H TRP A 43 -2.955 5.408 6.821 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.240 4.826 4.001 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -2.019 3.535 6.427 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.380 2.521 5.045 1.00 0.00 H new ATOM 0 HD1 TRP A 43 0.151 5.022 6.292 1.00 0.00 H new ATOM 0 HE1 TRP A 43 1.994 5.419 4.521 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -2.076 2.651 2.350 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 2.400 4.782 1.811 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -0.893 2.586 0.191 1.00 0.00 H new ATOM 0 HH2 TRP A 43 1.317 3.635 -0.072 1.00 0.00 H new ATOM 612 N THR A 44 -5.225 3.359 3.888 1.00 0.00 N ATOM 613 CA THR A 44 -6.457 2.586 3.797 1.00 0.00 C ATOM 614 C THR A 44 -6.356 1.516 2.715 1.00 0.00 C ATOM 615 O THR A 44 -6.451 1.813 1.524 1.00 0.00 O ATOM 616 CB THR A 44 -7.667 3.490 3.497 1.00 0.00 C ATOM 617 OG1 THR A 44 -7.406 4.289 2.337 1.00 0.00 O ATOM 618 CG2 THR A 44 -7.974 4.393 4.682 1.00 0.00 C ATOM 0 H THR A 44 -4.861 3.679 2.991 1.00 0.00 H new ATOM 0 HA THR A 44 -6.602 2.108 4.766 1.00 0.00 H new ATOM 0 HB THR A 44 -8.532 2.853 3.312 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.804 3.804 1.735 1.00 0.00 H new ATOM 0 HG21 THR A 44 -8.832 5.022 4.447 1.00 0.00 H new ATOM 0 HG22 THR A 44 -8.200 3.782 5.556 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.110 5.022 4.893 1.00 0.00 H new ATOM 626 N VAL A 45 -6.165 0.270 3.137 1.00 0.00 N ATOM 627 CA VAL A 45 -6.053 -0.844 2.204 1.00 0.00 C ATOM 628 C VAL A 45 -7.280 -1.747 2.277 1.00 0.00 C ATOM 629 O VAL A 45 -7.506 -2.425 3.278 1.00 0.00 O ATOM 630 CB VAL A 45 -4.793 -1.685 2.482 1.00 0.00 C ATOM 631 CG1 VAL A 45 -4.850 -2.287 3.878 1.00 0.00 C ATOM 632 CG2 VAL A 45 -4.636 -2.773 1.430 1.00 0.00 C ATOM 0 H VAL A 45 -6.085 0.007 4.119 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.980 -0.414 1.205 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.922 -1.031 2.429 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.952 -2.878 4.056 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.911 -1.488 4.617 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.728 -2.927 3.962 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.741 -3.358 1.642 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.509 -3.426 1.449 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.546 -2.316 0.445 1.00 0.00 H new ATOM 642 N GLY A 46 -8.070 -1.751 1.207 1.00 0.00 N ATOM 643 CA GLY A 46 -9.264 -2.574 1.170 1.00 0.00 C ATOM 644 C GLY A 46 -10.486 -1.848 1.695 1.00 0.00 C ATOM 645 O GLY A 46 -11.587 -2.012 1.172 1.00 0.00 O ATOM 0 H GLY A 46 -7.904 -1.199 0.366 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -9.449 -2.895 0.145 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.099 -3.475 1.761 1.00 0.00 H new ATOM 649 N GLY A 47 -10.292 -1.041 2.734 1.00 0.00 N ATOM 650 CA GLY A 47 -11.397 -0.300 3.315 1.00 0.00 C ATOM 651 C GLY A 47 -11.357 -0.292 4.830 1.00 0.00 C ATOM 652 O GLY A 47 -12.393 -0.396 5.487 1.00 0.00 O ATOM 0 H GLY A 47 -9.390 -0.887 3.184 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.375 0.726 2.949 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.338 -0.737 2.982 1.00 0.00 H new ATOM 656 N LYS A 48 -10.157 -0.169 5.388 1.00 0.00 N ATOM 657 CA LYS A 48 -9.985 -0.148 6.836 1.00 0.00 C ATOM 658 C LYS A 48 -8.760 0.672 7.226 1.00 0.00 C ATOM 659 O LYS A 48 -7.811 0.798 6.451 1.00 0.00 O ATOM 660 CB LYS A 48 -9.850 -1.574 7.375 1.00 0.00 C ATOM 661 CG LYS A 48 -10.931 -2.517 6.876 1.00 0.00 C ATOM 662 CD LYS A 48 -10.844 -3.874 7.556 1.00 0.00 C ATOM 663 CE LYS A 48 -11.992 -4.781 7.139 1.00 0.00 C ATOM 664 NZ LYS A 48 -13.199 -4.574 7.986 1.00 0.00 N ATOM 0 H LYS A 48 -9.289 -0.082 4.859 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.867 0.318 7.275 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.875 -1.970 7.091 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.878 -1.546 8.464 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.912 -2.078 7.061 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.836 -2.643 5.797 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.895 -4.348 7.305 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.858 -3.742 8.638 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.244 -4.591 6.096 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.675 -5.822 7.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.958 -5.210 7.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.966 -4.779 8.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.517 -3.587 7.902 1.00 0.00 H new ATOM 678 N THR A 49 -8.786 1.229 8.433 1.00 0.00 N ATOM 679 CA THR A 49 -7.677 2.037 8.926 1.00 0.00 C ATOM 680 C THR A 49 -6.525 1.158 9.401 1.00 0.00 C ATOM 681 O THR A 49 -6.673 0.381 10.344 1.00 0.00 O ATOM 682 CB THR A 49 -8.120 2.953 10.082 1.00 0.00 C ATOM 683 OG1 THR A 49 -9.319 3.650 9.724 1.00 0.00 O ATOM 684 CG2 THR A 49 -7.029 3.955 10.428 1.00 0.00 C ATOM 0 H THR A 49 -9.563 1.135 9.087 1.00 0.00 H new ATOM 0 HA THR A 49 -7.340 2.654 8.093 1.00 0.00 H new ATOM 0 HB THR A 49 -8.310 2.330 10.956 1.00 0.00 H new ATOM 0 HG1 THR A 49 -9.595 4.229 10.465 1.00 0.00 H new ATOM 0 HG21 THR A 49 -7.365 4.591 11.247 1.00 0.00 H new ATOM 0 HG22 THR A 49 -6.127 3.422 10.729 1.00 0.00 H new ATOM 0 HG23 THR A 49 -6.811 4.572 9.556 1.00 0.00 H new ATOM 692 N VAL A 50 -5.378 1.288 8.743 1.00 0.00 N ATOM 693 CA VAL A 50 -4.200 0.507 9.099 1.00 0.00 C ATOM 694 C VAL A 50 -3.084 1.404 9.624 1.00 0.00 C ATOM 695 O VAL A 50 -3.150 2.627 9.508 1.00 0.00 O ATOM 696 CB VAL A 50 -3.674 -0.297 7.895 1.00 0.00 C ATOM 697 CG1 VAL A 50 -4.631 -1.428 7.550 1.00 0.00 C ATOM 698 CG2 VAL A 50 -3.460 0.616 6.698 1.00 0.00 C ATOM 0 H VAL A 50 -5.239 1.927 7.960 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.505 -0.186 9.883 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.713 -0.736 8.164 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.243 -1.985 6.697 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.729 -2.096 8.406 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.608 -1.014 7.299 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.088 0.031 5.856 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.405 1.085 6.425 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.733 1.387 6.954 1.00 0.00 H new ATOM 772 N PHE A 56 0.557 -4.040 9.357 1.00 0.00 N ATOM 773 CA PHE A 56 1.090 -3.141 8.339 1.00 0.00 C ATOM 774 C PHE A 56 2.087 -2.160 8.949 1.00 0.00 C ATOM 775 O PHE A 56 1.723 -1.321 9.771 1.00 0.00 O ATOM 776 CB PHE A 56 -0.047 -2.374 7.660 1.00 0.00 C ATOM 777 CG PHE A 56 -1.121 -3.264 7.103 1.00 0.00 C ATOM 778 CD1 PHE A 56 -2.068 -3.835 7.938 1.00 0.00 C ATOM 779 CD2 PHE A 56 -1.184 -3.529 5.744 1.00 0.00 C ATOM 780 CE1 PHE A 56 -3.058 -4.654 7.429 1.00 0.00 C ATOM 781 CE2 PHE A 56 -2.173 -4.347 5.230 1.00 0.00 C ATOM 782 CZ PHE A 56 -3.110 -4.911 6.073 1.00 0.00 C ATOM 0 HA PHE A 56 1.609 -3.743 7.593 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -0.492 -1.687 8.380 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.365 -1.767 6.854 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.032 -3.638 8.999 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.453 -3.092 5.080 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -3.790 -5.093 8.091 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.213 -4.545 4.169 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.882 -5.552 5.673 1.00 0.00 H new ATOM 792 N GLN A 57 3.346 -2.275 8.539 1.00 0.00 N ATOM 793 CA GLN A 57 4.396 -1.399 9.045 1.00 0.00 C ATOM 794 C GLN A 57 4.504 -0.133 8.202 1.00 0.00 C ATOM 795 O GLN A 57 5.341 -0.043 7.304 1.00 0.00 O ATOM 796 CB GLN A 57 5.739 -2.133 9.059 1.00 0.00 C ATOM 797 CG GLN A 57 6.847 -1.360 9.754 1.00 0.00 C ATOM 798 CD GLN A 57 6.340 -0.530 10.917 1.00 0.00 C ATOM 799 OE1 GLN A 57 5.790 0.556 10.727 1.00 0.00 O ATOM 800 NE2 GLN A 57 6.521 -1.037 12.131 1.00 0.00 N ATOM 0 H GLN A 57 3.663 -2.965 7.859 1.00 0.00 H new ATOM 0 HA GLN A 57 4.135 -1.113 10.064 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.612 -3.095 9.555 1.00 0.00 H new ATOM 0 HB3 GLN A 57 6.041 -2.341 8.032 1.00 0.00 H new ATOM 0 HG2 GLN A 57 7.602 -2.059 10.114 1.00 0.00 H new ATOM 0 HG3 GLN A 57 7.336 -0.706 9.032 1.00 0.00 H new ATOM 0 HE21 GLN A 57 6.981 -1.940 12.243 1.00 0.00 H new ATOM 0 HE22 GLN A 57 6.199 -0.523 12.951 1.00 0.00 H new ATOM 809 N ALA A 58 3.650 0.842 8.495 1.00 0.00 N ATOM 810 CA ALA A 58 3.650 2.103 7.765 1.00 0.00 C ATOM 811 C ALA A 58 4.826 2.980 8.184 1.00 0.00 C ATOM 812 O ALA A 58 4.845 3.526 9.287 1.00 0.00 O ATOM 813 CB ALA A 58 2.336 2.839 7.983 1.00 0.00 C ATOM 0 H ALA A 58 2.949 0.782 9.233 1.00 0.00 H new ATOM 0 HA ALA A 58 3.757 1.880 6.703 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.350 3.779 7.432 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.510 2.222 7.628 1.00 0.00 H new ATOM 0 HB3 ALA A 58 2.205 3.043 9.046 1.00 0.00 H new ATOM 819 N THR A 59 5.806 3.111 7.295 1.00 0.00 N ATOM 820 CA THR A 59 6.986 3.920 7.573 1.00 0.00 C ATOM 821 C THR A 59 6.997 5.186 6.726 1.00 0.00 C ATOM 822 O THR A 59 6.286 5.281 5.725 1.00 0.00 O ATOM 823 CB THR A 59 8.283 3.130 7.312 1.00 0.00 C ATOM 824 OG1 THR A 59 8.213 2.482 6.037 1.00 0.00 O ATOM 825 CG2 THR A 59 8.514 2.093 8.401 1.00 0.00 C ATOM 0 H THR A 59 5.806 2.667 6.377 1.00 0.00 H new ATOM 0 HA THR A 59 6.941 4.192 8.627 1.00 0.00 H new ATOM 0 HB THR A 59 9.117 3.832 7.318 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.041 1.983 5.878 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.435 1.548 8.195 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.596 2.592 9.367 1.00 0.00 H new ATOM 0 HG23 THR A 59 7.677 1.395 8.422 1.00 0.00 H new ATOM 833 N ARG A 60 7.808 6.158 7.132 1.00 0.00 N ATOM 834 CA ARG A 60 7.910 7.420 6.409 1.00 0.00 C ATOM 835 C ARG A 60 9.359 7.713 6.030 1.00 0.00 C ATOM 836 O ARG A 60 10.190 7.996 6.892 1.00 0.00 O ATOM 837 CB ARG A 60 7.352 8.564 7.257 1.00 0.00 C ATOM 838 CG ARG A 60 7.182 9.865 6.489 1.00 0.00 C ATOM 839 CD ARG A 60 6.285 10.840 7.235 1.00 0.00 C ATOM 840 NE ARG A 60 6.942 11.392 8.417 1.00 0.00 N ATOM 841 CZ ARG A 60 6.287 11.966 9.421 1.00 0.00 C ATOM 842 NH1 ARG A 60 4.965 12.061 9.385 1.00 0.00 N ATOM 843 NH2 ARG A 60 6.955 12.445 10.462 1.00 0.00 N ATOM 0 H ARG A 60 8.404 6.096 7.958 1.00 0.00 H new ATOM 0 HA ARG A 60 7.323 7.335 5.494 1.00 0.00 H new ATOM 0 HB2 ARG A 60 6.387 8.265 7.666 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.017 8.736 8.103 1.00 0.00 H new ATOM 0 HG2 ARG A 60 8.158 10.321 6.323 1.00 0.00 H new ATOM 0 HG3 ARG A 60 6.757 9.656 5.507 1.00 0.00 H new ATOM 0 HD2 ARG A 60 5.998 11.652 6.567 1.00 0.00 H new ATOM 0 HD3 ARG A 60 5.367 10.333 7.534 1.00 0.00 H new ATOM 0 HE ARG A 60 7.959 11.334 8.475 1.00 0.00 H new ATOM 0 HH11 ARG A 60 4.449 11.693 8.586 1.00 0.00 H new ATOM 0 HH12 ARG A 60 4.464 12.502 10.157 1.00 0.00 H new ATOM 0 HH21 ARG A 60 7.972 12.373 10.492 1.00 0.00 H new ATOM 0 HH22 ARG A 60 6.452 12.885 11.232 1.00 0.00 H new ATOM 857 N GLN A 61 9.652 7.644 4.735 1.00 0.00 N ATOM 858 CA GLN A 61 11.000 7.901 4.243 1.00 0.00 C ATOM 859 C GLN A 61 11.022 9.119 3.326 1.00 0.00 C ATOM 860 O GLN A 61 10.669 9.030 2.151 1.00 0.00 O ATOM 861 CB GLN A 61 11.536 6.677 3.498 1.00 0.00 C ATOM 862 CG GLN A 61 12.924 6.880 2.913 1.00 0.00 C ATOM 863 CD GLN A 61 13.851 7.624 3.855 1.00 0.00 C ATOM 864 OE1 GLN A 61 14.284 7.083 4.873 1.00 0.00 O ATOM 865 NE2 GLN A 61 14.160 8.871 3.519 1.00 0.00 N ATOM 0 H GLN A 61 8.974 7.412 4.009 1.00 0.00 H new ATOM 0 HA GLN A 61 11.640 8.104 5.102 1.00 0.00 H new ATOM 0 HB2 GLN A 61 11.559 5.828 4.181 1.00 0.00 H new ATOM 0 HB3 GLN A 61 10.846 6.420 2.694 1.00 0.00 H new ATOM 0 HG2 GLN A 61 13.358 5.910 2.673 1.00 0.00 H new ATOM 0 HG3 GLN A 61 12.843 7.433 1.977 1.00 0.00 H new ATOM 0 HE21 GLN A 61 13.778 9.279 2.666 1.00 0.00 H new ATOM 0 HE22 GLN A 61 14.780 9.421 4.114 1.00 0.00 H new ATOM 874 N GLY A 62 11.438 10.258 3.872 1.00 0.00 N ATOM 875 CA GLY A 62 11.497 11.478 3.089 1.00 0.00 C ATOM 876 C GLY A 62 10.230 11.717 2.292 1.00 0.00 C ATOM 877 O GLY A 62 9.174 11.992 2.861 1.00 0.00 O ATOM 0 H GLY A 62 11.735 10.357 4.843 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.670 12.325 3.754 1.00 0.00 H new ATOM 0 HA3 GLY A 62 12.347 11.429 2.408 1.00 0.00 H new ATOM 881 N ARG A 63 10.336 11.615 0.971 1.00 0.00 N ATOM 882 CA ARG A 63 9.190 11.826 0.095 1.00 0.00 C ATOM 883 C ARG A 63 8.688 10.501 -0.472 1.00 0.00 C ATOM 884 O ARG A 63 8.202 10.440 -1.602 1.00 0.00 O ATOM 885 CB ARG A 63 9.562 12.773 -1.047 1.00 0.00 C ATOM 886 CG ARG A 63 10.565 12.184 -2.025 1.00 0.00 C ATOM 887 CD ARG A 63 11.252 13.269 -2.840 1.00 0.00 C ATOM 888 NE ARG A 63 10.362 13.844 -3.845 1.00 0.00 N ATOM 889 CZ ARG A 63 10.791 14.449 -4.947 1.00 0.00 C ATOM 890 NH1 ARG A 63 12.091 14.557 -5.185 1.00 0.00 N ATOM 891 NH2 ARG A 63 9.919 14.947 -5.815 1.00 0.00 N ATOM 0 H ARG A 63 11.203 11.388 0.484 1.00 0.00 H new ATOM 0 HA ARG A 63 8.391 12.275 0.685 1.00 0.00 H new ATOM 0 HB2 ARG A 63 8.657 13.048 -1.589 1.00 0.00 H new ATOM 0 HB3 ARG A 63 9.973 13.691 -0.627 1.00 0.00 H new ATOM 0 HG2 ARG A 63 11.313 11.609 -1.479 1.00 0.00 H new ATOM 0 HG3 ARG A 63 10.057 11.491 -2.695 1.00 0.00 H new ATOM 0 HD2 ARG A 63 11.602 14.057 -2.173 1.00 0.00 H new ATOM 0 HD3 ARG A 63 12.132 12.852 -3.331 1.00 0.00 H new ATOM 0 HE ARG A 63 9.356 13.777 -3.692 1.00 0.00 H new ATOM 0 HH11 ARG A 63 12.764 14.175 -4.521 1.00 0.00 H new ATOM 0 HH12 ARG A 63 12.417 15.022 -6.032 1.00 0.00 H new ATOM 0 HH21 ARG A 63 8.918 14.865 -5.636 1.00 0.00 H new ATOM 0 HH22 ARG A 63 10.250 15.411 -6.661 1.00 0.00 H new ATOM 905 N LYS A 64 8.810 9.440 0.319 1.00 0.00 N ATOM 906 CA LYS A 64 8.370 8.116 -0.102 1.00 0.00 C ATOM 907 C LYS A 64 7.810 7.328 1.079 1.00 0.00 C ATOM 908 O LYS A 64 8.350 7.379 2.184 1.00 0.00 O ATOM 909 CB LYS A 64 9.531 7.347 -0.736 1.00 0.00 C ATOM 910 CG LYS A 64 9.188 5.911 -1.090 1.00 0.00 C ATOM 911 CD LYS A 64 10.424 5.028 -1.097 1.00 0.00 C ATOM 912 CE LYS A 64 11.141 5.083 -2.438 1.00 0.00 C ATOM 913 NZ LYS A 64 12.146 6.181 -2.484 1.00 0.00 N ATOM 0 H LYS A 64 9.211 9.472 1.256 1.00 0.00 H new ATOM 0 HA LYS A 64 7.579 8.242 -0.841 1.00 0.00 H new ATOM 0 HB2 LYS A 64 9.851 7.868 -1.638 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.377 7.351 -0.048 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.465 5.521 -0.373 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.712 5.881 -2.070 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.104 5.346 -0.306 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.139 3.999 -0.878 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.635 4.130 -2.625 1.00 0.00 H new ATOM 0 HE3 LYS A 64 10.411 5.225 -3.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.038 6.714 -3.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.000 6.820 -1.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.103 5.778 -2.437 1.00 0.00 H new ATOM 927 N TYR A 65 6.725 6.600 0.837 1.00 0.00 N ATOM 928 CA TYR A 65 6.092 5.803 1.880 1.00 0.00 C ATOM 929 C TYR A 65 6.189 4.314 1.562 1.00 0.00 C ATOM 930 O TYR A 65 6.357 3.925 0.406 1.00 0.00 O ATOM 931 CB TYR A 65 4.625 6.207 2.041 1.00 0.00 C ATOM 932 CG TYR A 65 4.435 7.520 2.765 1.00 0.00 C ATOM 933 CD1 TYR A 65 4.666 8.730 2.122 1.00 0.00 C ATOM 934 CD2 TYR A 65 4.024 7.552 4.092 1.00 0.00 C ATOM 935 CE1 TYR A 65 4.494 9.933 2.779 1.00 0.00 C ATOM 936 CE2 TYR A 65 3.848 8.750 4.757 1.00 0.00 C ATOM 937 CZ TYR A 65 4.085 9.938 4.096 1.00 0.00 C ATOM 938 OH TYR A 65 3.912 11.133 4.756 1.00 0.00 O ATOM 0 H TYR A 65 6.266 6.546 -0.072 1.00 0.00 H new ATOM 0 HA TYR A 65 6.618 5.992 2.816 1.00 0.00 H new ATOM 0 HB2 TYR A 65 4.165 6.276 1.055 1.00 0.00 H new ATOM 0 HB3 TYR A 65 4.098 5.423 2.584 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.986 8.730 1.090 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.839 6.624 4.613 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.679 10.864 2.264 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.527 8.757 5.788 1.00 0.00 H new ATOM 0 HH TYR A 65 3.621 10.960 5.675 1.00 0.00 H new ATOM 948 N ILE A 66 6.080 3.487 2.596 1.00 0.00 N ATOM 949 CA ILE A 66 6.154 2.041 2.428 1.00 0.00 C ATOM 950 C ILE A 66 5.199 1.327 3.379 1.00 0.00 C ATOM 951 O ILE A 66 5.305 1.461 4.599 1.00 0.00 O ATOM 952 CB ILE A 66 7.583 1.518 2.666 1.00 0.00 C ATOM 953 CG1 ILE A 66 8.572 2.236 1.745 1.00 0.00 C ATOM 954 CG2 ILE A 66 7.641 0.014 2.444 1.00 0.00 C ATOM 955 CD1 ILE A 66 9.113 3.524 2.327 1.00 0.00 C ATOM 0 H ILE A 66 5.940 3.793 3.559 1.00 0.00 H new ATOM 0 HA ILE A 66 5.865 1.829 1.399 1.00 0.00 H new ATOM 0 HB ILE A 66 7.862 1.724 3.699 1.00 0.00 H new ATOM 0 HG12 ILE A 66 9.405 1.567 1.527 1.00 0.00 H new ATOM 0 HG13 ILE A 66 8.081 2.453 0.796 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.657 -0.340 2.616 1.00 0.00 H new ATOM 0 HG22 ILE A 66 6.962 -0.483 3.137 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.346 -0.214 1.420 1.00 0.00 H new ATOM 0 HD11 ILE A 66 9.807 3.979 1.621 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.289 4.211 2.519 1.00 0.00 H new ATOM 0 HD13 ILE A 66 9.633 3.311 3.261 1.00 0.00 H new ATOM 967 N LEU A 67 4.267 0.568 2.814 1.00 0.00 N ATOM 968 CA LEU A 67 3.293 -0.169 3.611 1.00 0.00 C ATOM 969 C LEU A 67 3.490 -1.674 3.456 1.00 0.00 C ATOM 970 O LEU A 67 2.945 -2.291 2.542 1.00 0.00 O ATOM 971 CB LEU A 67 1.871 0.215 3.199 1.00 0.00 C ATOM 972 CG LEU A 67 0.743 -0.394 4.032 1.00 0.00 C ATOM 973 CD1 LEU A 67 0.685 0.253 5.407 1.00 0.00 C ATOM 974 CD2 LEU A 67 -0.590 -0.246 3.314 1.00 0.00 C ATOM 0 H LEU A 67 4.165 0.447 1.806 1.00 0.00 H new ATOM 0 HA LEU A 67 3.445 0.093 4.658 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.782 1.301 3.242 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.725 -0.075 2.159 1.00 0.00 H new ATOM 0 HG LEU A 67 0.947 -1.457 4.162 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.124 -0.193 5.985 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.631 0.094 5.924 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.506 1.323 5.299 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.381 -0.685 3.922 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.801 0.811 3.152 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.544 -0.758 2.353 1.00 0.00 H new ATOM 986 N VAL A 68 4.272 -2.259 4.358 1.00 0.00 N ATOM 987 CA VAL A 68 4.538 -3.692 4.325 1.00 0.00 C ATOM 988 C VAL A 68 3.285 -4.492 4.659 1.00 0.00 C ATOM 989 O VAL A 68 2.935 -4.660 5.828 1.00 0.00 O ATOM 990 CB VAL A 68 5.659 -4.078 5.309 1.00 0.00 C ATOM 991 CG1 VAL A 68 6.068 -5.530 5.109 1.00 0.00 C ATOM 992 CG2 VAL A 68 6.853 -3.151 5.146 1.00 0.00 C ATOM 0 H VAL A 68 4.732 -1.762 5.121 1.00 0.00 H new ATOM 0 HA VAL A 68 4.857 -3.931 3.311 1.00 0.00 H new ATOM 0 HB VAL A 68 5.281 -3.969 6.325 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.861 -5.785 5.812 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.208 -6.177 5.281 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.429 -5.669 4.090 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.635 -3.438 5.849 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.235 -3.225 4.128 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.546 -2.124 5.344 1.00 0.00 H new ATOM 1002 N VAL A 69 2.611 -4.986 3.625 1.00 0.00 N ATOM 1003 CA VAL A 69 1.396 -5.771 3.809 1.00 0.00 C ATOM 1004 C VAL A 69 1.724 -7.213 4.178 1.00 0.00 C ATOM 1005 O VAL A 69 1.973 -8.046 3.307 1.00 0.00 O ATOM 1006 CB VAL A 69 0.525 -5.763 2.539 1.00 0.00 C ATOM 1007 CG1 VAL A 69 -0.733 -6.592 2.749 1.00 0.00 C ATOM 1008 CG2 VAL A 69 0.174 -4.337 2.142 1.00 0.00 C ATOM 0 H VAL A 69 2.886 -4.856 2.651 1.00 0.00 H new ATOM 0 HA VAL A 69 0.840 -5.308 4.624 1.00 0.00 H new ATOM 0 HB VAL A 69 1.095 -6.212 1.726 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.336 -6.575 1.841 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.456 -7.620 2.981 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.309 -6.176 3.575 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.442 -4.351 1.243 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.377 -3.859 2.952 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.089 -3.778 1.947 1.00 0.00 H new ATOM 1018 N ARG A 70 1.721 -7.501 5.476 1.00 0.00 N ATOM 1019 CA ARG A 70 2.019 -8.843 5.961 1.00 0.00 C ATOM 1020 C ARG A 70 0.808 -9.758 5.808 1.00 0.00 C ATOM 1021 O ARG A 70 0.862 -10.938 6.154 1.00 0.00 O ATOM 1022 CB ARG A 70 2.452 -8.794 7.427 1.00 0.00 C ATOM 1023 CG ARG A 70 3.835 -8.198 7.634 1.00 0.00 C ATOM 1024 CD ARG A 70 4.220 -8.181 9.105 1.00 0.00 C ATOM 1025 NE ARG A 70 4.703 -9.483 9.559 1.00 0.00 N ATOM 1026 CZ ARG A 70 5.906 -9.964 9.264 1.00 0.00 C ATOM 1027 NH1 ARG A 70 6.743 -9.255 8.519 1.00 0.00 N ATOM 1028 NH2 ARG A 70 6.273 -11.157 9.714 1.00 0.00 N ATOM 0 H ARG A 70 1.516 -6.823 6.210 1.00 0.00 H new ATOM 0 HA ARG A 70 2.835 -9.246 5.361 1.00 0.00 H new ATOM 0 HB2 ARG A 70 1.726 -8.210 7.992 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.436 -9.804 7.836 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.569 -8.775 7.071 1.00 0.00 H new ATOM 0 HG3 ARG A 70 3.857 -7.182 7.239 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.993 -7.430 9.269 1.00 0.00 H new ATOM 0 HD3 ARG A 70 3.357 -7.886 9.702 1.00 0.00 H new ATOM 0 HE ARG A 70 4.083 -10.054 10.134 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.464 -8.338 8.171 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.666 -9.627 8.294 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.632 -11.705 10.287 1.00 0.00 H new ATOM 0 HH22 ARG A 70 7.197 -11.526 9.487 1.00 0.00 H new ATOM 1042 N GLU A 71 -0.283 -9.205 5.288 1.00 0.00 N ATOM 1043 CA GLU A 71 -1.508 -9.972 5.090 1.00 0.00 C ATOM 1044 C GLU A 71 -2.098 -9.709 3.708 1.00 0.00 C ATOM 1045 O GLU A 71 -2.607 -8.623 3.435 1.00 0.00 O ATOM 1046 CB GLU A 71 -2.535 -9.621 6.170 1.00 0.00 C ATOM 1047 CG GLU A 71 -3.974 -9.844 5.736 1.00 0.00 C ATOM 1048 CD GLU A 71 -4.933 -9.910 6.908 1.00 0.00 C ATOM 1049 OE1 GLU A 71 -4.577 -10.532 7.931 1.00 0.00 O ATOM 1050 OE2 GLU A 71 -6.039 -9.339 6.803 1.00 0.00 O ATOM 0 H GLU A 71 -0.344 -8.230 4.996 1.00 0.00 H new ATOM 0 HA GLU A 71 -1.259 -11.031 5.164 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -2.335 -10.220 7.058 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.408 -8.577 6.455 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.277 -9.038 5.068 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.038 -10.771 5.166 1.00 0.00 H new ATOM 1057 N ALA A 72 -2.023 -10.712 2.839 1.00 0.00 N ATOM 1058 CA ALA A 72 -2.550 -10.591 1.485 1.00 0.00 C ATOM 1059 C ALA A 72 -3.606 -11.656 1.210 1.00 0.00 C ATOM 1060 O ALA A 72 -3.321 -12.683 0.595 1.00 0.00 O ATOM 1061 CB ALA A 72 -1.422 -10.689 0.469 1.00 0.00 C ATOM 0 H ALA A 72 -1.602 -11.617 3.049 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.024 -9.614 1.392 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.830 -10.597 -0.538 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.704 -9.888 0.644 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.923 -11.652 0.571 1.00 0.00 H new ATOM 1067 N ALA A 73 -4.827 -11.405 1.671 1.00 0.00 N ATOM 1068 CA ALA A 73 -5.926 -12.342 1.473 1.00 0.00 C ATOM 1069 C ALA A 73 -6.708 -12.011 0.206 1.00 0.00 C ATOM 1070 O ALA A 73 -6.636 -10.903 -0.325 1.00 0.00 O ATOM 1071 CB ALA A 73 -6.850 -12.334 2.682 1.00 0.00 C ATOM 0 H ALA A 73 -5.080 -10.561 2.184 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.504 -13.340 1.358 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.666 -13.038 2.521 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -6.289 -12.625 3.570 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.257 -11.333 2.822 1.00 0.00 H new ATOM 1077 N PRO A 74 -7.472 -12.995 -0.292 1.00 0.00 N ATOM 1078 CA PRO A 74 -8.282 -12.832 -1.503 1.00 0.00 C ATOM 1079 C PRO A 74 -9.462 -11.889 -1.289 1.00 0.00 C ATOM 1080 O PRO A 74 -10.259 -11.662 -2.199 1.00 0.00 O ATOM 1081 CB PRO A 74 -8.777 -14.251 -1.792 1.00 0.00 C ATOM 1082 CG PRO A 74 -8.760 -14.935 -0.469 1.00 0.00 C ATOM 1083 CD PRO A 74 -7.606 -14.341 0.290 1.00 0.00 C ATOM 0 HA PRO A 74 -7.710 -12.391 -2.319 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -9.780 -14.241 -2.220 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -8.130 -14.758 -2.508 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -9.698 -14.779 0.063 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -8.636 -16.011 -0.588 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -7.808 -14.298 1.360 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -6.696 -14.927 0.161 1.00 0.00 H new ATOM 1091 N SER A 75 -9.565 -11.343 -0.082 1.00 0.00 N ATOM 1092 CA SER A 75 -10.650 -10.427 0.251 1.00 0.00 C ATOM 1093 C SER A 75 -10.168 -8.980 0.221 1.00 0.00 C ATOM 1094 O SER A 75 -10.907 -8.076 -0.170 1.00 0.00 O ATOM 1095 CB SER A 75 -11.218 -10.758 1.633 1.00 0.00 C ATOM 1096 OG SER A 75 -12.346 -9.951 1.927 1.00 0.00 O ATOM 0 H SER A 75 -8.911 -11.519 0.681 1.00 0.00 H new ATOM 0 HA SER A 75 -11.435 -10.546 -0.496 1.00 0.00 H new ATOM 0 HB2 SER A 75 -11.500 -11.810 1.672 1.00 0.00 H new ATOM 0 HB3 SER A 75 -10.450 -10.606 2.391 1.00 0.00 H new ATOM 0 HG SER A 75 -12.692 -10.183 2.814 1.00 0.00 H new ATOM 1102 N ASP A 76 -8.924 -8.769 0.636 1.00 0.00 N ATOM 1103 CA ASP A 76 -8.341 -7.432 0.655 1.00 0.00 C ATOM 1104 C ASP A 76 -8.132 -6.909 -0.762 1.00 0.00 C ATOM 1105 O ASP A 76 -8.099 -5.701 -0.990 1.00 0.00 O ATOM 1106 CB ASP A 76 -7.010 -7.444 1.410 1.00 0.00 C ATOM 1107 CG ASP A 76 -7.191 -7.269 2.905 1.00 0.00 C ATOM 1108 OD1 ASP A 76 -8.049 -6.456 3.308 1.00 0.00 O ATOM 1109 OD2 ASP A 76 -6.474 -7.945 3.671 1.00 0.00 O ATOM 0 H ASP A 76 -8.300 -9.506 0.964 1.00 0.00 H new ATOM 0 HA ASP A 76 -9.035 -6.767 1.168 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -6.495 -8.385 1.217 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -6.372 -6.647 1.028 1.00 0.00 H new ATOM 1114 N ALA A 77 -7.989 -7.829 -1.711 1.00 0.00 N ATOM 1115 CA ALA A 77 -7.784 -7.461 -3.107 1.00 0.00 C ATOM 1116 C ALA A 77 -9.006 -6.744 -3.671 1.00 0.00 C ATOM 1117 O ALA A 77 -10.089 -7.320 -3.763 1.00 0.00 O ATOM 1118 CB ALA A 77 -7.465 -8.696 -3.937 1.00 0.00 C ATOM 0 H ALA A 77 -8.011 -8.834 -1.539 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.938 -6.775 -3.156 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.314 -8.406 -4.977 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.558 -9.166 -3.556 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -8.294 -9.401 -3.873 1.00 0.00 H new ATOM 1124 N GLY A 78 -8.824 -5.481 -4.047 1.00 0.00 N ATOM 1125 CA GLY A 78 -9.921 -4.706 -4.597 1.00 0.00 C ATOM 1126 C GLY A 78 -9.491 -3.317 -5.026 1.00 0.00 C ATOM 1127 O GLY A 78 -9.520 -2.992 -6.212 1.00 0.00 O ATOM 0 H GLY A 78 -7.937 -4.981 -3.980 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.341 -5.234 -5.453 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -10.713 -4.624 -3.853 1.00 0.00 H new ATOM 1131 N GLU A 79 -9.092 -2.497 -4.059 1.00 0.00 N ATOM 1132 CA GLU A 79 -8.657 -1.135 -4.345 1.00 0.00 C ATOM 1133 C GLU A 79 -7.979 -0.514 -3.127 1.00 0.00 C ATOM 1134 O GLU A 79 -8.630 -0.216 -2.125 1.00 0.00 O ATOM 1135 CB GLU A 79 -9.848 -0.275 -4.774 1.00 0.00 C ATOM 1136 CG GLU A 79 -9.496 1.188 -4.988 1.00 0.00 C ATOM 1137 CD GLU A 79 -10.722 2.061 -5.176 1.00 0.00 C ATOM 1138 OE1 GLU A 79 -11.678 1.919 -4.385 1.00 0.00 O ATOM 1139 OE2 GLU A 79 -10.726 2.885 -6.114 1.00 0.00 O ATOM 0 H GLU A 79 -9.061 -2.752 -3.072 1.00 0.00 H new ATOM 0 HA GLU A 79 -7.935 -1.175 -5.160 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.263 -0.679 -5.697 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.628 -0.345 -4.016 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -8.925 1.549 -4.133 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.852 1.279 -5.863 1.00 0.00 H new ATOM 1146 N VAL A 80 -6.668 -0.320 -3.221 1.00 0.00 N ATOM 1147 CA VAL A 80 -5.901 0.266 -2.128 1.00 0.00 C ATOM 1148 C VAL A 80 -5.922 1.789 -2.197 1.00 0.00 C ATOM 1149 O VAL A 80 -5.612 2.379 -3.232 1.00 0.00 O ATOM 1150 CB VAL A 80 -4.438 -0.218 -2.147 1.00 0.00 C ATOM 1151 CG1 VAL A 80 -3.658 0.397 -0.995 1.00 0.00 C ATOM 1152 CG2 VAL A 80 -4.379 -1.737 -2.091 1.00 0.00 C ATOM 0 H VAL A 80 -6.114 -0.560 -4.043 1.00 0.00 H new ATOM 0 HA VAL A 80 -6.372 -0.059 -1.200 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.978 0.106 -3.080 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.627 0.044 -1.024 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.672 1.483 -1.085 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.115 0.105 -0.049 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.339 -2.061 -2.105 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.855 -2.086 -1.175 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.901 -2.153 -2.953 1.00 0.00 H new ATOM 1162 N VAL A 81 -6.290 2.420 -1.087 1.00 0.00 N ATOM 1163 CA VAL A 81 -6.350 3.876 -1.020 1.00 0.00 C ATOM 1164 C VAL A 81 -5.388 4.418 0.031 1.00 0.00 C ATOM 1165 O VAL A 81 -5.207 3.818 1.091 1.00 0.00 O ATOM 1166 CB VAL A 81 -7.775 4.364 -0.696 1.00 0.00 C ATOM 1167 CG1 VAL A 81 -7.788 5.870 -0.483 1.00 0.00 C ATOM 1168 CG2 VAL A 81 -8.739 3.965 -1.803 1.00 0.00 C ATOM 0 H VAL A 81 -6.551 1.947 -0.222 1.00 0.00 H new ATOM 0 HA VAL A 81 -6.059 4.251 -2.002 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.102 3.888 0.228 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.803 6.197 -0.255 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -7.130 6.126 0.347 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -7.441 6.368 -1.388 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.741 4.318 -1.558 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -8.417 4.411 -2.744 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.751 2.880 -1.902 1.00 0.00 H new ATOM 1178 N PHE A 82 -4.773 5.557 -0.269 1.00 0.00 N ATOM 1179 CA PHE A 82 -3.828 6.181 0.650 1.00 0.00 C ATOM 1180 C PHE A 82 -4.063 7.687 0.731 1.00 0.00 C ATOM 1181 O PHE A 82 -3.836 8.414 -0.235 1.00 0.00 O ATOM 1182 CB PHE A 82 -2.391 5.900 0.205 1.00 0.00 C ATOM 1183 CG PHE A 82 -1.371 6.760 0.896 1.00 0.00 C ATOM 1184 CD1 PHE A 82 -1.123 6.610 2.251 1.00 0.00 C ATOM 1185 CD2 PHE A 82 -0.662 7.718 0.190 1.00 0.00 C ATOM 1186 CE1 PHE A 82 -0.185 7.399 2.889 1.00 0.00 C ATOM 1187 CE2 PHE A 82 0.278 8.510 0.824 1.00 0.00 C ATOM 1188 CZ PHE A 82 0.516 8.350 2.175 1.00 0.00 C ATOM 0 H PHE A 82 -4.912 6.067 -1.141 1.00 0.00 H new ATOM 0 HA PHE A 82 -3.984 5.753 1.640 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -2.159 4.852 0.394 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.316 6.054 -0.871 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -1.669 5.868 2.815 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -0.845 7.848 -0.866 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -0.000 7.272 3.945 1.00 0.00 H new ATOM 0 HE2 PHE A 82 0.825 9.253 0.263 1.00 0.00 H new ATOM 0 HZ PHE A 82 1.249 8.968 2.672 1.00 0.00 H new ATOM 1198 N SER A 83 -4.519 8.146 1.892 1.00 0.00 N ATOM 1199 CA SER A 83 -4.788 9.564 2.100 1.00 0.00 C ATOM 1200 C SER A 83 -3.640 10.231 2.851 1.00 0.00 C ATOM 1201 O SER A 83 -3.227 9.768 3.915 1.00 0.00 O ATOM 1202 CB SER A 83 -6.095 9.748 2.874 1.00 0.00 C ATOM 1203 OG SER A 83 -6.686 11.003 2.586 1.00 0.00 O ATOM 0 H SER A 83 -4.710 7.557 2.703 1.00 0.00 H new ATOM 0 HA SER A 83 -4.883 10.038 1.123 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.789 8.948 2.617 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.902 9.671 3.944 1.00 0.00 H new ATOM 0 HG SER A 83 -6.212 11.424 1.839 1.00 0.00 H new ATOM 1209 N VAL A 84 -3.129 11.323 2.291 1.00 0.00 N ATOM 1210 CA VAL A 84 -2.029 12.055 2.907 1.00 0.00 C ATOM 1211 C VAL A 84 -2.146 13.551 2.637 1.00 0.00 C ATOM 1212 O VAL A 84 -2.394 13.971 1.507 1.00 0.00 O ATOM 1213 CB VAL A 84 -0.666 11.557 2.393 1.00 0.00 C ATOM 1214 CG1 VAL A 84 -0.500 11.884 0.917 1.00 0.00 C ATOM 1215 CG2 VAL A 84 0.465 12.162 3.212 1.00 0.00 C ATOM 0 H VAL A 84 -3.460 11.720 1.412 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.091 11.876 3.980 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.628 10.474 2.507 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.469 11.524 0.571 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.292 11.399 0.346 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.558 12.963 0.775 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.421 11.799 2.835 1.00 0.00 H new ATOM 0 HG22 VAL A 84 0.432 13.249 3.131 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.353 11.872 4.257 1.00 0.00 H new ATOM 1225 N ARG A 85 -1.967 14.351 3.683 1.00 0.00 N ATOM 1226 CA ARG A 85 -2.053 15.801 3.560 1.00 0.00 C ATOM 1227 C ARG A 85 -3.230 16.203 2.675 1.00 0.00 C ATOM 1228 O ARG A 85 -3.165 17.195 1.951 1.00 0.00 O ATOM 1229 CB ARG A 85 -0.752 16.363 2.983 1.00 0.00 C ATOM 1230 CG ARG A 85 -0.513 15.979 1.532 1.00 0.00 C ATOM 1231 CD ARG A 85 0.731 16.652 0.975 1.00 0.00 C ATOM 1232 NE ARG A 85 0.550 18.093 0.816 1.00 0.00 N ATOM 1233 CZ ARG A 85 1.548 18.938 0.583 1.00 0.00 C ATOM 1234 NH1 ARG A 85 2.791 18.489 0.482 1.00 0.00 N ATOM 1235 NH2 ARG A 85 1.303 20.235 0.450 1.00 0.00 N ATOM 0 H ARG A 85 -1.761 14.019 4.625 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.211 16.216 4.555 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -0.768 17.450 3.064 1.00 0.00 H new ATOM 0 HB3 ARG A 85 0.085 16.011 3.586 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -0.409 14.897 1.453 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -1.379 16.260 0.933 1.00 0.00 H new ATOM 0 HD2 ARG A 85 1.574 16.464 1.640 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.981 16.210 0.011 1.00 0.00 H new ATOM 0 HE ARG A 85 -0.395 18.471 0.888 1.00 0.00 H new ATOM 0 HH11 ARG A 85 2.983 17.492 0.583 1.00 0.00 H new ATOM 0 HH12 ARG A 85 3.555 19.140 0.303 1.00 0.00 H new ATOM 0 HH21 ARG A 85 0.348 20.584 0.527 1.00 0.00 H new ATOM 0 HH22 ARG A 85 2.070 20.883 0.271 1.00 0.00 H new ATOM 1249 N GLY A 86 -4.305 15.423 2.739 1.00 0.00 N ATOM 1250 CA GLY A 86 -5.480 15.713 1.939 1.00 0.00 C ATOM 1251 C GLY A 86 -5.513 14.919 0.648 1.00 0.00 C ATOM 1252 O GLY A 86 -6.583 14.537 0.172 1.00 0.00 O ATOM 0 H GLY A 86 -4.383 14.596 3.331 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.375 15.492 2.521 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.504 16.778 1.708 1.00 0.00 H new ATOM 1256 N LEU A 87 -4.339 14.671 0.078 1.00 0.00 N ATOM 1257 CA LEU A 87 -4.237 13.919 -1.168 1.00 0.00 C ATOM 1258 C LEU A 87 -4.784 12.506 -0.997 1.00 0.00 C ATOM 1259 O LEU A 87 -4.963 12.028 0.124 1.00 0.00 O ATOM 1260 CB LEU A 87 -2.781 13.861 -1.634 1.00 0.00 C ATOM 1261 CG LEU A 87 -2.128 15.204 -1.963 1.00 0.00 C ATOM 1262 CD1 LEU A 87 -0.614 15.066 -2.004 1.00 0.00 C ATOM 1263 CD2 LEU A 87 -2.652 15.743 -3.286 1.00 0.00 C ATOM 0 H LEU A 87 -3.444 14.980 0.459 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.834 14.431 -1.923 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.191 13.373 -0.858 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.729 13.228 -2.520 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.387 15.913 -1.177 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.167 16.032 -2.240 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.253 14.726 -1.033 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.335 14.341 -2.769 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.176 16.699 -3.503 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.425 15.035 -4.083 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.731 15.882 -3.221 1.00 0.00 H new ATOM 1275 N THR A 88 -5.047 11.839 -2.117 1.00 0.00 N ATOM 1276 CA THR A 88 -5.573 10.480 -2.091 1.00 0.00 C ATOM 1277 C THR A 88 -5.137 9.698 -3.326 1.00 0.00 C ATOM 1278 O THR A 88 -5.234 10.191 -4.450 1.00 0.00 O ATOM 1279 CB THR A 88 -7.111 10.474 -2.010 1.00 0.00 C ATOM 1280 OG1 THR A 88 -7.546 11.265 -0.899 1.00 0.00 O ATOM 1281 CG2 THR A 88 -7.640 9.055 -1.867 1.00 0.00 C ATOM 0 H THR A 88 -4.904 12.218 -3.053 1.00 0.00 H new ATOM 0 HA THR A 88 -5.168 10.001 -1.199 1.00 0.00 H new ATOM 0 HB THR A 88 -7.503 10.899 -2.934 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.525 11.257 -0.855 1.00 0.00 H new ATOM 0 HG21 THR A 88 -8.728 9.076 -1.812 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.332 8.463 -2.729 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.239 8.607 -0.958 1.00 0.00 H new ATOM 1289 N SER A 89 -4.657 8.478 -3.109 1.00 0.00 N ATOM 1290 CA SER A 89 -4.203 7.629 -4.205 1.00 0.00 C ATOM 1291 C SER A 89 -5.049 6.363 -4.297 1.00 0.00 C ATOM 1292 O SER A 89 -5.702 5.966 -3.332 1.00 0.00 O ATOM 1293 CB SER A 89 -2.731 7.260 -4.016 1.00 0.00 C ATOM 1294 OG SER A 89 -2.250 6.503 -5.113 1.00 0.00 O ATOM 0 H SER A 89 -4.572 8.055 -2.185 1.00 0.00 H new ATOM 0 HA SER A 89 -4.313 8.187 -5.135 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.137 8.167 -3.908 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.611 6.689 -3.096 1.00 0.00 H new ATOM 0 HG SER A 89 -1.507 6.980 -5.539 1.00 0.00 H new ATOM 1300 N LYS A 90 -5.032 5.732 -5.466 1.00 0.00 N ATOM 1301 CA LYS A 90 -5.796 4.510 -5.688 1.00 0.00 C ATOM 1302 C LYS A 90 -4.978 3.493 -6.479 1.00 0.00 C ATOM 1303 O LYS A 90 -4.209 3.858 -7.367 1.00 0.00 O ATOM 1304 CB LYS A 90 -7.096 4.823 -6.431 1.00 0.00 C ATOM 1305 CG LYS A 90 -8.136 5.519 -5.570 1.00 0.00 C ATOM 1306 CD LYS A 90 -7.979 7.030 -5.618 1.00 0.00 C ATOM 1307 CE LYS A 90 -9.213 7.736 -5.077 1.00 0.00 C ATOM 1308 NZ LYS A 90 -10.390 7.562 -5.974 1.00 0.00 N ATOM 0 H LYS A 90 -4.497 6.047 -6.275 1.00 0.00 H new ATOM 0 HA LYS A 90 -6.036 4.080 -4.715 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -6.870 5.451 -7.292 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -7.517 3.894 -6.816 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -9.134 5.245 -5.911 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -8.046 5.175 -4.540 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -7.106 7.325 -5.036 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -7.799 7.346 -6.646 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -9.450 7.346 -4.087 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -9.001 8.799 -4.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -11.099 8.293 -5.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -10.087 7.650 -6.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -10.807 6.621 -5.821 1.00 0.00 H new ATOM 1322 N ALA A 91 -5.151 2.217 -6.150 1.00 0.00 N ATOM 1323 CA ALA A 91 -4.432 1.149 -6.833 1.00 0.00 C ATOM 1324 C ALA A 91 -5.209 -0.162 -6.771 1.00 0.00 C ATOM 1325 O ALA A 91 -6.025 -0.369 -5.873 1.00 0.00 O ATOM 1326 CB ALA A 91 -3.048 0.973 -6.226 1.00 0.00 C ATOM 0 H ALA A 91 -5.782 1.898 -5.415 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.325 1.429 -7.881 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.522 0.172 -6.746 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -2.486 1.901 -6.327 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -3.143 0.719 -5.170 1.00 0.00 H new ATOM 1332 N SER A 92 -4.950 -1.044 -7.731 1.00 0.00 N ATOM 1333 CA SER A 92 -5.628 -2.333 -7.788 1.00 0.00 C ATOM 1334 C SER A 92 -4.713 -3.451 -7.299 1.00 0.00 C ATOM 1335 O SER A 92 -3.639 -3.681 -7.858 1.00 0.00 O ATOM 1336 CB SER A 92 -6.091 -2.627 -9.217 1.00 0.00 C ATOM 1337 OG SER A 92 -7.304 -1.954 -9.508 1.00 0.00 O ATOM 0 H SER A 92 -4.275 -0.889 -8.480 1.00 0.00 H new ATOM 0 HA SER A 92 -6.498 -2.287 -7.133 1.00 0.00 H new ATOM 0 HB2 SER A 92 -5.321 -2.317 -9.923 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.227 -3.701 -9.345 1.00 0.00 H new ATOM 0 HG SER A 92 -7.578 -2.156 -10.427 1.00 0.00 H new ATOM 1343 N LEU A 93 -5.144 -4.144 -6.251 1.00 0.00 N ATOM 1344 CA LEU A 93 -4.364 -5.239 -5.684 1.00 0.00 C ATOM 1345 C LEU A 93 -4.924 -6.589 -6.121 1.00 0.00 C ATOM 1346 O LEU A 93 -6.134 -6.813 -6.082 1.00 0.00 O ATOM 1347 CB LEU A 93 -4.356 -5.148 -4.157 1.00 0.00 C ATOM 1348 CG LEU A 93 -3.996 -6.433 -3.410 1.00 0.00 C ATOM 1349 CD1 LEU A 93 -2.586 -6.879 -3.764 1.00 0.00 C ATOM 1350 CD2 LEU A 93 -4.133 -6.232 -1.907 1.00 0.00 C ATOM 0 H LEU A 93 -6.029 -3.967 -5.776 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.342 -5.153 -6.052 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.651 -4.371 -3.863 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.343 -4.824 -3.827 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.690 -7.216 -3.717 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -2.347 -7.795 -3.223 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.521 -7.064 -4.836 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.877 -6.099 -3.487 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.873 -7.156 -1.391 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.463 -5.435 -1.584 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.161 -5.960 -1.668 1.00 0.00 H new ATOM 1362 N ILE A 94 -4.035 -7.486 -6.535 1.00 0.00 N ATOM 1363 CA ILE A 94 -4.440 -8.815 -6.975 1.00 0.00 C ATOM 1364 C ILE A 94 -3.951 -9.888 -6.008 1.00 0.00 C ATOM 1365 O ILE A 94 -2.789 -9.890 -5.602 1.00 0.00 O ATOM 1366 CB ILE A 94 -3.904 -9.128 -8.385 1.00 0.00 C ATOM 1367 CG1 ILE A 94 -4.480 -8.143 -9.404 1.00 0.00 C ATOM 1368 CG2 ILE A 94 -4.242 -10.560 -8.774 1.00 0.00 C ATOM 1369 CD1 ILE A 94 -3.676 -6.869 -9.534 1.00 0.00 C ATOM 0 H ILE A 94 -3.030 -7.316 -6.575 1.00 0.00 H new ATOM 0 HA ILE A 94 -5.530 -8.821 -6.999 1.00 0.00 H new ATOM 0 HB ILE A 94 -2.819 -9.020 -8.378 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -4.534 -8.630 -10.378 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -5.501 -7.891 -9.117 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.857 -10.766 -9.773 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -3.788 -11.248 -8.061 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.324 -10.693 -8.768 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.143 -6.218 -10.273 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.643 -6.359 -8.571 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -2.661 -7.110 -9.851 1.00 0.00 H new ATOM 1381 N VAL A 95 -4.847 -10.800 -5.643 1.00 0.00 N ATOM 1382 CA VAL A 95 -4.506 -11.881 -4.725 1.00 0.00 C ATOM 1383 C VAL A 95 -5.139 -13.196 -5.167 1.00 0.00 C ATOM 1384 O VAL A 95 -6.344 -13.396 -5.022 1.00 0.00 O ATOM 1385 CB VAL A 95 -4.962 -11.562 -3.289 1.00 0.00 C ATOM 1386 CG1 VAL A 95 -4.698 -12.745 -2.370 1.00 0.00 C ATOM 1387 CG2 VAL A 95 -4.265 -10.311 -2.775 1.00 0.00 C ATOM 0 H VAL A 95 -5.814 -10.812 -5.969 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.421 -11.980 -4.740 1.00 0.00 H new ATOM 0 HB VAL A 95 -6.036 -11.374 -3.300 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -5.027 -12.501 -1.360 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.247 -13.615 -2.730 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.631 -12.968 -2.361 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -4.599 -10.100 -1.759 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.186 -10.468 -2.777 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.510 -9.467 -3.420 1.00 0.00 H new ATOM 1397 N ARG A 96 -4.316 -14.090 -5.706 1.00 0.00 N ATOM 1398 CA ARG A 96 -4.795 -15.386 -6.170 1.00 0.00 C ATOM 1399 C ARG A 96 -4.736 -16.420 -5.049 1.00 0.00 C ATOM 1400 O ARG A 96 -3.680 -16.653 -4.462 1.00 0.00 O ATOM 1401 CB ARG A 96 -3.964 -15.864 -7.363 1.00 0.00 C ATOM 1402 CG ARG A 96 -4.210 -15.068 -8.634 1.00 0.00 C ATOM 1403 CD ARG A 96 -5.528 -15.453 -9.286 1.00 0.00 C ATOM 1404 NE ARG A 96 -5.382 -16.599 -10.180 1.00 0.00 N ATOM 1405 CZ ARG A 96 -6.379 -17.100 -10.901 1.00 0.00 C ATOM 1406 NH1 ARG A 96 -7.587 -16.558 -10.835 1.00 0.00 N ATOM 1407 NH2 ARG A 96 -6.168 -18.145 -11.691 1.00 0.00 N ATOM 0 H ARG A 96 -3.315 -13.940 -5.832 1.00 0.00 H new ATOM 0 HA ARG A 96 -5.833 -15.271 -6.482 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -2.906 -15.804 -7.106 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -4.187 -16.914 -7.553 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -4.215 -14.003 -8.402 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -3.393 -15.238 -9.335 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -6.260 -15.687 -8.513 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -5.917 -14.603 -9.847 1.00 0.00 H new ATOM 0 HE ARG A 96 -4.465 -17.038 -10.255 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -7.753 -15.754 -10.229 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -8.351 -16.945 -11.390 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -5.240 -18.564 -11.745 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -6.934 -18.529 -12.244 1.00 0.00 H new ATOM 1421 N GLU A 97 -5.878 -17.036 -4.759 1.00 0.00 N ATOM 1422 CA GLU A 97 -5.955 -18.044 -3.708 1.00 0.00 C ATOM 1423 C GLU A 97 -4.887 -19.116 -3.902 1.00 0.00 C ATOM 1424 O GLU A 97 -4.367 -19.297 -5.003 1.00 0.00 O ATOM 1425 CB GLU A 97 -7.343 -18.688 -3.690 1.00 0.00 C ATOM 1426 CG GLU A 97 -7.660 -19.487 -4.943 1.00 0.00 C ATOM 1427 CD GLU A 97 -8.722 -20.543 -4.709 1.00 0.00 C ATOM 1428 OE1 GLU A 97 -9.886 -20.167 -4.455 1.00 0.00 O ATOM 1429 OE2 GLU A 97 -8.391 -21.745 -4.778 1.00 0.00 O ATOM 0 H GLU A 97 -6.761 -16.855 -5.236 1.00 0.00 H new ATOM 0 HA GLU A 97 -5.779 -17.550 -2.753 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -7.419 -19.344 -2.822 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -8.094 -17.908 -3.567 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -7.995 -18.808 -5.727 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -6.750 -19.966 -5.304 1.00 0.00 H new ATOM 1436 N ARG A 98 -4.565 -19.824 -2.825 1.00 0.00 N ATOM 1437 CA ARG A 98 -3.558 -20.878 -2.875 1.00 0.00 C ATOM 1438 C ARG A 98 -4.209 -22.256 -2.803 1.00 0.00 C ATOM 1439 O ARG A 98 -5.357 -22.390 -2.380 1.00 0.00 O ATOM 1440 CB ARG A 98 -2.559 -20.713 -1.729 1.00 0.00 C ATOM 1441 CG ARG A 98 -3.211 -20.645 -0.357 1.00 0.00 C ATOM 1442 CD ARG A 98 -2.191 -20.834 0.754 1.00 0.00 C ATOM 1443 NE ARG A 98 -1.560 -22.150 0.700 1.00 0.00 N ATOM 1444 CZ ARG A 98 -0.605 -22.543 1.536 1.00 0.00 C ATOM 1445 NH1 ARG A 98 -0.174 -21.725 2.486 1.00 0.00 N ATOM 1446 NH2 ARG A 98 -0.080 -23.756 1.423 1.00 0.00 N ATOM 0 H ARG A 98 -4.987 -19.687 -1.906 1.00 0.00 H new ATOM 0 HA ARG A 98 -3.028 -20.795 -3.824 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -1.857 -21.547 -1.747 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -1.979 -19.804 -1.892 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -3.708 -19.682 -0.236 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -3.981 -21.413 -0.280 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -1.426 -20.062 0.678 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -2.679 -20.706 1.720 1.00 0.00 H new ATOM 0 HE ARG A 98 -1.870 -22.804 -0.019 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -0.576 -20.792 2.576 1.00 0.00 H new ATOM 0 HH12 ARG A 98 0.559 -22.029 3.127 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -0.409 -24.388 0.694 1.00 0.00 H new ATOM 0 HH22 ARG A 98 0.653 -24.056 2.065 1.00 0.00 H new