USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 632 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 Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 106:sc= 1.26 USER MOD Single : A 16 SER OG : rot 160:sc= -0.305 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 85:sc= 0.232 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.0228 X(o=-0.023,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 77:sc= 0.384 USER MOD Single : A 65 THR OG1 : rot 95:sc= 0.171 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 95 N GLY A 7 -17.573 -4.374 -23.899 1.00 0.00 N ATOM 96 CA GLY A 7 -18.864 -4.103 -23.289 1.00 0.00 C ATOM 97 C GLY A 7 -19.072 -4.963 -22.042 1.00 0.00 C ATOM 98 O GLY A 7 -19.288 -4.439 -20.950 1.00 0.00 O ATOM 0 HA2 GLY A 7 -18.930 -3.048 -23.023 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.659 -4.301 -24.008 1.00 0.00 H new ATOM 102 N TYR A 8 -19.000 -6.271 -22.244 1.00 0.00 N ATOM 103 CA TYR A 8 -19.178 -7.209 -21.149 1.00 0.00 C ATOM 104 C TYR A 8 -18.326 -6.811 -19.943 1.00 0.00 C ATOM 105 O TYR A 8 -18.821 -6.765 -18.817 1.00 0.00 O ATOM 106 CB TYR A 8 -18.699 -8.564 -21.673 1.00 0.00 C ATOM 107 CG TYR A 8 -19.830 -9.535 -22.016 1.00 0.00 C ATOM 108 CD1 TYR A 8 -20.408 -10.300 -21.023 1.00 0.00 C ATOM 109 CD2 TYR A 8 -20.274 -9.646 -23.318 1.00 0.00 C ATOM 110 CE1 TYR A 8 -21.473 -11.213 -21.346 1.00 0.00 C ATOM 111 CE2 TYR A 8 -21.339 -10.559 -23.641 1.00 0.00 C ATOM 112 CZ TYR A 8 -21.886 -11.298 -22.639 1.00 0.00 C ATOM 113 OH TYR A 8 -22.892 -12.161 -22.944 1.00 0.00 O ATOM 0 H TYR A 8 -18.821 -6.703 -23.150 1.00 0.00 H new ATOM 0 HA TYR A 8 -20.219 -7.230 -20.826 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -18.090 -8.403 -22.563 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -18.054 -9.024 -20.924 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -20.061 -10.214 -20.004 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -19.822 -9.047 -24.095 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -21.934 -11.817 -20.579 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -21.695 -10.655 -24.656 1.00 0.00 H new ATOM 0 HH TYR A 8 -23.083 -12.115 -23.904 1.00 0.00 H new ATOM 123 N ALA A 9 -17.060 -6.534 -20.218 1.00 0.00 N ATOM 124 CA ALA A 9 -16.135 -6.142 -19.169 1.00 0.00 C ATOM 125 C ALA A 9 -16.693 -4.923 -18.431 1.00 0.00 C ATOM 126 O ALA A 9 -16.548 -4.809 -17.215 1.00 0.00 O ATOM 127 CB ALA A 9 -14.757 -5.874 -19.777 1.00 0.00 C ATOM 0 H ALA A 9 -16.653 -6.573 -21.153 1.00 0.00 H new ATOM 0 HA ALA A 9 -16.020 -6.944 -18.440 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -14.063 -5.580 -18.990 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -14.392 -6.778 -20.263 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -14.833 -5.072 -20.512 1.00 0.00 H new ATOM 133 N ALA A 10 -17.320 -4.043 -19.199 1.00 0.00 N ATOM 134 CA ALA A 10 -17.901 -2.837 -18.633 1.00 0.00 C ATOM 135 C ALA A 10 -19.127 -3.211 -17.797 1.00 0.00 C ATOM 136 O ALA A 10 -19.455 -2.525 -16.830 1.00 0.00 O ATOM 137 CB ALA A 10 -18.239 -1.858 -19.759 1.00 0.00 C ATOM 0 H ALA A 10 -17.438 -4.141 -20.207 1.00 0.00 H new ATOM 0 HA ALA A 10 -17.190 -2.341 -17.972 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -18.675 -0.953 -19.336 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -17.330 -1.602 -20.304 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -18.953 -2.320 -20.441 1.00 0.00 H new ATOM 143 N LEU A 11 -19.770 -4.297 -18.199 1.00 0.00 N ATOM 144 CA LEU A 11 -20.952 -4.769 -17.499 1.00 0.00 C ATOM 145 C LEU A 11 -20.550 -5.271 -16.111 1.00 0.00 C ATOM 146 O LEU A 11 -21.077 -4.805 -15.102 1.00 0.00 O ATOM 147 CB LEU A 11 -21.691 -5.812 -18.340 1.00 0.00 C ATOM 148 CG LEU A 11 -23.016 -5.359 -18.958 1.00 0.00 C ATOM 149 CD1 LEU A 11 -24.021 -4.967 -17.873 1.00 0.00 C ATOM 150 CD2 LEU A 11 -22.792 -4.230 -19.966 1.00 0.00 C ATOM 0 H LEU A 11 -19.495 -4.864 -19.001 1.00 0.00 H new ATOM 0 HA LEU A 11 -21.659 -3.953 -17.351 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -21.030 -6.136 -19.144 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -21.884 -6.684 -17.715 1.00 0.00 H new ATOM 0 HG LEU A 11 -23.444 -6.199 -19.505 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -24.954 -4.649 -18.339 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -24.212 -5.824 -17.227 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -23.615 -4.148 -17.279 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -23.749 -3.926 -20.391 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -22.332 -3.379 -19.463 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -22.136 -4.579 -20.763 1.00 0.00 H new ATOM 162 N VAL A 12 -19.621 -6.215 -16.104 1.00 0.00 N ATOM 163 CA VAL A 12 -19.142 -6.786 -14.856 1.00 0.00 C ATOM 164 C VAL A 12 -18.648 -5.662 -13.943 1.00 0.00 C ATOM 165 O VAL A 12 -19.032 -5.590 -12.777 1.00 0.00 O ATOM 166 CB VAL A 12 -18.071 -7.841 -15.139 1.00 0.00 C ATOM 167 CG1 VAL A 12 -17.382 -8.284 -13.847 1.00 0.00 C ATOM 168 CG2 VAL A 12 -18.665 -9.039 -15.883 1.00 0.00 C ATOM 0 H VAL A 12 -19.187 -6.599 -16.943 1.00 0.00 H new ATOM 0 HA VAL A 12 -19.951 -7.297 -14.334 1.00 0.00 H new ATOM 0 HB VAL A 12 -17.316 -7.388 -15.782 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -16.625 -9.034 -14.077 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -16.908 -7.424 -13.374 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -18.121 -8.710 -13.168 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -17.883 -9.774 -16.072 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -19.450 -9.491 -15.276 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -19.086 -8.706 -16.831 1.00 0.00 H new ATOM 178 N THR A 13 -17.803 -4.812 -14.509 1.00 0.00 N ATOM 179 CA THR A 13 -17.252 -3.695 -13.760 1.00 0.00 C ATOM 180 C THR A 13 -18.368 -2.926 -13.051 1.00 0.00 C ATOM 181 O THR A 13 -18.379 -2.830 -11.824 1.00 0.00 O ATOM 182 CB THR A 13 -16.440 -2.832 -14.728 1.00 0.00 C ATOM 183 OG1 THR A 13 -15.434 -3.714 -15.219 1.00 0.00 O ATOM 184 CG2 THR A 13 -15.653 -1.732 -14.013 1.00 0.00 C ATOM 0 H THR A 13 -17.487 -4.874 -15.477 1.00 0.00 H new ATOM 0 HA THR A 13 -16.585 -4.039 -12.970 1.00 0.00 H new ATOM 0 HB THR A 13 -17.109 -2.382 -15.461 1.00 0.00 H new ATOM 0 HG1 THR A 13 -15.647 -3.973 -16.140 1.00 0.00 H new ATOM 0 HG21 THR A 13 -15.095 -1.149 -14.746 1.00 0.00 H new ATOM 0 HG22 THR A 13 -16.343 -1.079 -13.480 1.00 0.00 H new ATOM 0 HG23 THR A 13 -14.959 -2.183 -13.304 1.00 0.00 H new ATOM 192 N PHE A 14 -19.281 -2.397 -13.852 1.00 0.00 N ATOM 193 CA PHE A 14 -20.399 -1.640 -13.317 1.00 0.00 C ATOM 194 C PHE A 14 -21.113 -2.422 -12.212 1.00 0.00 C ATOM 195 O PHE A 14 -21.467 -1.860 -11.177 1.00 0.00 O ATOM 196 CB PHE A 14 -21.375 -1.405 -14.471 1.00 0.00 C ATOM 197 CG PHE A 14 -22.103 -0.061 -14.408 1.00 0.00 C ATOM 198 CD1 PHE A 14 -23.133 0.115 -13.538 1.00 0.00 C ATOM 199 CD2 PHE A 14 -21.719 0.959 -15.223 1.00 0.00 C ATOM 200 CE1 PHE A 14 -23.808 1.363 -13.479 1.00 0.00 C ATOM 201 CE2 PHE A 14 -22.394 2.207 -15.164 1.00 0.00 C ATOM 202 CZ PHE A 14 -23.424 2.382 -14.293 1.00 0.00 C ATOM 0 H PHE A 14 -19.269 -2.478 -14.869 1.00 0.00 H new ATOM 0 HA PHE A 14 -20.042 -0.703 -12.890 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -20.830 -1.467 -15.413 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -22.114 -2.206 -14.477 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -23.438 -0.695 -12.892 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -20.901 0.819 -15.914 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -24.626 1.503 -12.788 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -22.090 3.017 -15.810 1.00 0.00 H new ATOM 0 HZ PHE A 14 -23.937 3.331 -14.248 1.00 0.00 H new ATOM 212 N GLY A 15 -21.304 -3.708 -12.471 1.00 0.00 N ATOM 213 CA GLY A 15 -21.969 -4.573 -11.512 1.00 0.00 C ATOM 214 C GLY A 15 -21.149 -4.699 -10.226 1.00 0.00 C ATOM 215 O GLY A 15 -21.484 -4.093 -9.210 1.00 0.00 O ATOM 0 H GLY A 15 -21.010 -4.171 -13.331 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -22.956 -4.174 -11.280 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -22.119 -5.560 -11.950 1.00 0.00 H new ATOM 219 N SER A 16 -20.090 -5.491 -10.313 1.00 0.00 N ATOM 220 CA SER A 16 -19.219 -5.705 -9.169 1.00 0.00 C ATOM 221 C SER A 16 -19.019 -4.391 -8.412 1.00 0.00 C ATOM 222 O SER A 16 -19.205 -4.335 -7.197 1.00 0.00 O ATOM 223 CB SER A 16 -17.869 -6.278 -9.604 1.00 0.00 C ATOM 224 OG SER A 16 -17.622 -7.558 -9.027 1.00 0.00 O ATOM 0 H SER A 16 -19.815 -5.992 -11.158 1.00 0.00 H new ATOM 0 HA SER A 16 -19.694 -6.430 -8.508 1.00 0.00 H new ATOM 0 HB2 SER A 16 -17.843 -6.359 -10.691 1.00 0.00 H new ATOM 0 HB3 SER A 16 -17.074 -5.591 -9.316 1.00 0.00 H new ATOM 0 HG SER A 16 -16.940 -8.027 -9.551 1.00 0.00 H new ATOM 230 N ILE A 17 -18.641 -3.365 -9.161 1.00 0.00 N ATOM 231 CA ILE A 17 -18.413 -2.055 -8.575 1.00 0.00 C ATOM 232 C ILE A 17 -19.615 -1.671 -7.710 1.00 0.00 C ATOM 233 O ILE A 17 -19.456 -1.303 -6.547 1.00 0.00 O ATOM 234 CB ILE A 17 -18.087 -1.031 -9.664 1.00 0.00 C ATOM 235 CG1 ILE A 17 -16.695 -1.277 -10.250 1.00 0.00 C ATOM 236 CG2 ILE A 17 -18.243 0.398 -9.138 1.00 0.00 C ATOM 237 CD1 ILE A 17 -15.607 -1.025 -9.203 1.00 0.00 C ATOM 0 H ILE A 17 -18.487 -3.415 -10.168 1.00 0.00 H new ATOM 0 HA ILE A 17 -17.543 -2.077 -7.919 1.00 0.00 H new ATOM 0 HB ILE A 17 -18.804 -1.156 -10.475 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -16.625 -2.303 -10.613 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -16.537 -0.624 -11.108 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -18.005 1.106 -9.932 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -19.270 0.554 -8.808 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -17.565 0.553 -8.299 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -14.627 -1.207 -9.645 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -15.664 0.008 -8.860 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -15.754 -1.697 -8.357 1.00 0.00 H new ATOM 249 N PHE A 18 -20.792 -1.770 -8.311 1.00 0.00 N ATOM 250 CA PHE A 18 -22.021 -1.438 -7.611 1.00 0.00 C ATOM 251 C PHE A 18 -22.184 -2.295 -6.354 1.00 0.00 C ATOM 252 O PHE A 18 -22.783 -1.857 -5.373 1.00 0.00 O ATOM 253 CB PHE A 18 -23.176 -1.733 -8.569 1.00 0.00 C ATOM 254 CG PHE A 18 -23.825 -0.483 -9.165 1.00 0.00 C ATOM 255 CD1 PHE A 18 -23.082 0.381 -9.908 1.00 0.00 C ATOM 256 CD2 PHE A 18 -25.145 -0.234 -8.952 1.00 0.00 C ATOM 257 CE1 PHE A 18 -23.685 1.541 -10.462 1.00 0.00 C ATOM 258 CE2 PHE A 18 -25.748 0.926 -9.505 1.00 0.00 C ATOM 259 CZ PHE A 18 -25.005 1.790 -10.248 1.00 0.00 C ATOM 0 H PHE A 18 -20.920 -2.076 -9.276 1.00 0.00 H new ATOM 0 HA PHE A 18 -22.004 -0.392 -7.305 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -22.810 -2.362 -9.381 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -23.936 -2.307 -8.039 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -22.033 0.185 -10.076 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -25.735 -0.919 -8.362 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -23.095 2.226 -11.053 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -26.796 1.123 -9.336 1.00 0.00 H new ATOM 0 HZ PHE A 18 -25.463 2.673 -10.668 1.00 0.00 H new ATOM 269 N GLY A 19 -21.641 -3.502 -6.425 1.00 0.00 N ATOM 270 CA GLY A 19 -21.719 -4.425 -5.306 1.00 0.00 C ATOM 271 C GLY A 19 -20.643 -4.115 -4.263 1.00 0.00 C ATOM 272 O GLY A 19 -20.771 -4.497 -3.101 1.00 0.00 O ATOM 0 H GLY A 19 -21.145 -3.862 -7.241 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -22.705 -4.362 -4.846 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -21.599 -5.447 -5.664 1.00 0.00 H new ATOM 276 N TYR A 20 -19.607 -3.425 -4.716 1.00 0.00 N ATOM 277 CA TYR A 20 -18.509 -3.059 -3.838 1.00 0.00 C ATOM 278 C TYR A 20 -18.223 -4.171 -2.826 1.00 0.00 C ATOM 279 O TYR A 20 -18.330 -3.959 -1.619 1.00 0.00 O ATOM 280 CB TYR A 20 -18.970 -1.808 -3.086 1.00 0.00 C ATOM 281 CG TYR A 20 -17.835 -0.851 -2.716 1.00 0.00 C ATOM 282 CD1 TYR A 20 -16.794 -1.290 -1.922 1.00 0.00 C ATOM 283 CD2 TYR A 20 -17.852 0.450 -3.175 1.00 0.00 C ATOM 284 CE1 TYR A 20 -15.726 -0.389 -1.574 1.00 0.00 C ATOM 285 CE2 TYR A 20 -16.783 1.350 -2.826 1.00 0.00 C ATOM 286 CZ TYR A 20 -15.773 0.886 -2.043 1.00 0.00 C ATOM 287 OH TYR A 20 -14.764 1.737 -1.714 1.00 0.00 O ATOM 0 H TYR A 20 -19.505 -3.109 -5.681 1.00 0.00 H new ATOM 0 HA TYR A 20 -17.598 -2.890 -4.412 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -19.696 -1.274 -3.700 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -19.486 -2.113 -2.175 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -16.781 -2.308 -1.562 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -18.666 0.793 -3.796 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -14.906 -0.719 -0.954 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -16.784 2.371 -3.178 1.00 0.00 H new ATOM 0 HH TYR A 20 -14.930 2.613 -2.120 1.00 0.00 H new ATOM 297 N LYS A 21 -17.864 -5.331 -3.356 1.00 0.00 N ATOM 298 CA LYS A 21 -17.561 -6.476 -2.515 1.00 0.00 C ATOM 299 C LYS A 21 -17.044 -7.622 -3.387 1.00 0.00 C ATOM 300 O LYS A 21 -15.903 -8.054 -3.238 1.00 0.00 O ATOM 301 CB LYS A 21 -18.775 -6.851 -1.663 1.00 0.00 C ATOM 302 CG LYS A 21 -18.350 -7.255 -0.250 1.00 0.00 C ATOM 303 CD LYS A 21 -18.204 -8.774 -0.134 1.00 0.00 C ATOM 304 CE LYS A 21 -18.583 -9.255 1.268 1.00 0.00 C ATOM 305 NZ LYS A 21 -20.050 -9.405 1.387 1.00 0.00 N ATOM 0 H LYS A 21 -17.776 -5.502 -4.358 1.00 0.00 H new ATOM 0 HA LYS A 21 -16.768 -6.230 -1.808 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -19.463 -6.007 -1.612 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -19.314 -7.673 -2.134 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -17.404 -6.775 0.000 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -19.087 -6.901 0.471 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -18.839 -9.262 -0.874 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -17.177 -9.062 -0.356 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -18.096 -10.208 1.476 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -18.223 -8.545 2.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -20.289 -9.732 2.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -20.508 -8.488 1.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -20.386 -10.100 0.690 1.00 0.00 H new ATOM 319 N ARG A 22 -17.910 -8.081 -4.279 1.00 0.00 N ATOM 320 CA ARG A 22 -17.556 -9.168 -5.176 1.00 0.00 C ATOM 321 C ARG A 22 -16.161 -8.940 -5.761 1.00 0.00 C ATOM 322 O ARG A 22 -15.589 -7.861 -5.611 1.00 0.00 O ATOM 323 CB ARG A 22 -18.567 -9.292 -6.317 1.00 0.00 C ATOM 324 CG ARG A 22 -19.209 -10.681 -6.332 1.00 0.00 C ATOM 325 CD ARG A 22 -19.484 -11.143 -7.764 1.00 0.00 C ATOM 326 NE ARG A 22 -19.678 -12.609 -7.795 1.00 0.00 N ATOM 327 CZ ARG A 22 -19.774 -13.331 -8.920 1.00 0.00 C ATOM 328 NH1 ARG A 22 -19.696 -12.726 -10.113 1.00 0.00 N ATOM 329 NH2 ARG A 22 -19.949 -14.658 -8.851 1.00 0.00 N ATOM 0 H ARG A 22 -18.856 -7.720 -4.400 1.00 0.00 H new ATOM 0 HA ARG A 22 -17.564 -10.092 -4.597 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -19.340 -8.531 -6.207 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -18.070 -9.107 -7.269 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -18.551 -11.395 -5.836 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -20.141 -10.661 -5.767 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -20.371 -10.642 -8.152 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -18.652 -10.864 -8.411 1.00 0.00 H new ATOM 0 HE ARG A 22 -19.743 -13.101 -6.904 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -19.564 -11.716 -10.165 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -19.769 -13.275 -10.969 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -20.009 -15.118 -7.943 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -20.022 -15.208 -9.707 1.00 0.00 H new ATOM 343 N ARG A 23 -15.653 -9.973 -6.417 1.00 0.00 N ATOM 344 CA ARG A 23 -14.336 -9.899 -7.026 1.00 0.00 C ATOM 345 C ARG A 23 -13.262 -9.730 -5.949 1.00 0.00 C ATOM 346 O ARG A 23 -12.861 -8.610 -5.638 1.00 0.00 O ATOM 347 CB ARG A 23 -14.249 -8.730 -8.010 1.00 0.00 C ATOM 348 CG ARG A 23 -13.860 -9.218 -9.407 1.00 0.00 C ATOM 349 CD ARG A 23 -13.253 -8.083 -10.234 1.00 0.00 C ATOM 350 NE ARG A 23 -12.313 -8.633 -11.236 1.00 0.00 N ATOM 351 CZ ARG A 23 -11.339 -7.924 -11.823 1.00 0.00 C ATOM 352 NH1 ARG A 23 -11.172 -6.631 -11.512 1.00 0.00 N ATOM 353 NH2 ARG A 23 -10.533 -8.506 -12.721 1.00 0.00 N ATOM 0 H ARG A 23 -16.130 -10.866 -6.540 1.00 0.00 H new ATOM 0 HA ARG A 23 -14.169 -10.830 -7.569 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -15.209 -8.215 -8.055 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -13.515 -8.006 -7.656 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -13.144 -10.036 -9.324 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -14.739 -9.614 -9.916 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -14.044 -7.523 -10.734 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -12.732 -7.384 -9.580 1.00 0.00 H new ATOM 0 HE ARG A 23 -12.413 -9.614 -11.496 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -11.786 -6.187 -10.829 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -10.431 -6.091 -11.958 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -10.660 -9.490 -12.959 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -9.792 -7.965 -13.167 1.00 0.00 H new ATOM 367 N GLY A 24 -12.827 -10.860 -5.411 1.00 0.00 N ATOM 368 CA GLY A 24 -11.808 -10.852 -4.375 1.00 0.00 C ATOM 369 C GLY A 24 -12.441 -10.835 -2.983 1.00 0.00 C ATOM 370 O GLY A 24 -13.644 -10.619 -2.846 1.00 0.00 O ATOM 0 H GLY A 24 -13.162 -11.787 -5.673 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.172 -11.731 -4.479 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.167 -9.979 -4.497 1.00 0.00 H new ATOM 374 N GLY A 25 -11.602 -11.065 -1.983 1.00 0.00 N ATOM 375 CA GLY A 25 -12.064 -11.079 -0.606 1.00 0.00 C ATOM 376 C GLY A 25 -11.309 -10.048 0.236 1.00 0.00 C ATOM 377 O GLY A 25 -11.506 -8.845 0.075 1.00 0.00 O ATOM 0 H GLY A 25 -10.604 -11.243 -2.100 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -13.133 -10.867 -0.575 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -11.924 -12.073 -0.182 1.00 0.00 H new ATOM 381 N VAL A 26 -10.461 -10.558 1.117 1.00 0.00 N ATOM 382 CA VAL A 26 -9.675 -9.698 1.985 1.00 0.00 C ATOM 383 C VAL A 26 -8.250 -10.245 2.084 1.00 0.00 C ATOM 384 O VAL A 26 -7.845 -10.745 3.132 1.00 0.00 O ATOM 385 CB VAL A 26 -10.360 -9.562 3.346 1.00 0.00 C ATOM 386 CG1 VAL A 26 -10.408 -10.908 4.072 1.00 0.00 C ATOM 387 CG2 VAL A 26 -9.669 -8.501 4.204 1.00 0.00 C ATOM 0 H VAL A 26 -10.301 -11.557 1.248 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.608 -8.693 1.568 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.386 -9.237 3.174 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.900 -10.784 5.037 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -10.965 -11.626 3.470 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.393 -11.274 4.227 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -10.176 -8.424 5.166 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.628 -8.783 4.363 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.710 -7.538 3.695 1.00 0.00 H new ATOM 397 N PRO A 27 -7.509 -10.128 0.949 1.00 0.00 N ATOM 398 CA PRO A 27 -6.138 -10.606 0.899 1.00 0.00 C ATOM 399 C PRO A 27 -5.200 -9.658 1.650 1.00 0.00 C ATOM 400 O PRO A 27 -5.648 -8.685 2.254 1.00 0.00 O ATOM 401 CB PRO A 27 -5.813 -10.713 -0.582 1.00 0.00 C ATOM 402 CG PRO A 27 -6.844 -9.856 -1.298 1.00 0.00 C ATOM 403 CD PRO A 27 -7.956 -9.542 -0.311 1.00 0.00 C ATOM 0 HA PRO A 27 -6.010 -11.570 1.392 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -4.802 -10.360 -0.786 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -5.864 -11.748 -0.919 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -6.388 -8.936 -1.664 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -7.241 -10.382 -2.166 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -8.109 -8.467 -0.216 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.905 -9.972 -0.633 1.00 0.00 H new ATOM 411 N SER A 28 -3.915 -9.977 1.587 1.00 0.00 N ATOM 412 CA SER A 28 -2.910 -9.166 2.254 1.00 0.00 C ATOM 413 C SER A 28 -2.945 -7.737 1.709 1.00 0.00 C ATOM 414 O SER A 28 -2.952 -6.776 2.477 1.00 0.00 O ATOM 415 CB SER A 28 -1.514 -9.767 2.079 1.00 0.00 C ATOM 416 OG SER A 28 -0.494 -8.899 2.567 1.00 0.00 O ATOM 0 H SER A 28 -3.547 -10.785 1.085 1.00 0.00 H new ATOM 0 HA SER A 28 -3.137 -9.147 3.320 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.461 -10.720 2.605 1.00 0.00 H new ATOM 0 HB3 SER A 28 -1.339 -9.975 1.024 1.00 0.00 H new ATOM 0 HG SER A 28 0.382 -9.319 2.439 1.00 0.00 H new ATOM 422 N LEU A 29 -2.965 -7.641 0.388 1.00 0.00 N ATOM 423 CA LEU A 29 -2.999 -6.345 -0.268 1.00 0.00 C ATOM 424 C LEU A 29 -3.968 -5.426 0.478 1.00 0.00 C ATOM 425 O LEU A 29 -3.600 -4.322 0.876 1.00 0.00 O ATOM 426 CB LEU A 29 -3.325 -6.506 -1.755 1.00 0.00 C ATOM 427 CG LEU A 29 -3.480 -5.208 -2.551 1.00 0.00 C ATOM 428 CD1 LEU A 29 -2.216 -4.907 -3.359 1.00 0.00 C ATOM 429 CD2 LEU A 29 -4.728 -5.253 -3.435 1.00 0.00 C ATOM 0 H LEU A 29 -2.958 -8.440 -0.246 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.018 -5.872 -0.230 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.537 -7.101 -2.217 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.249 -7.077 -1.845 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.615 -4.388 -1.846 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.352 -3.980 -3.916 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.368 -4.803 -2.682 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.026 -5.724 -4.056 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.815 -4.319 -3.990 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.648 -6.085 -4.135 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.611 -5.388 -2.811 1.00 0.00 H new ATOM 441 N ILE A 30 -5.188 -5.915 0.645 1.00 0.00 N ATOM 442 CA ILE A 30 -6.213 -5.152 1.336 1.00 0.00 C ATOM 443 C ILE A 30 -5.651 -4.637 2.663 1.00 0.00 C ATOM 444 O ILE A 30 -5.786 -3.457 2.982 1.00 0.00 O ATOM 445 CB ILE A 30 -7.489 -5.982 1.489 1.00 0.00 C ATOM 446 CG1 ILE A 30 -8.229 -6.100 0.156 1.00 0.00 C ATOM 447 CG2 ILE A 30 -8.383 -5.415 2.594 1.00 0.00 C ATOM 448 CD1 ILE A 30 -8.680 -4.727 -0.345 1.00 0.00 C ATOM 0 H ILE A 30 -5.490 -6.831 0.313 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.498 -4.279 0.749 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.207 -6.991 1.790 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -7.579 -6.566 -0.585 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -9.096 -6.751 0.274 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.283 -6.023 2.682 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -7.843 -5.427 3.541 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -8.661 -4.390 2.347 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -9.203 -4.840 -1.294 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -9.349 -4.274 0.387 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.809 -4.087 -0.485 1.00 0.00 H new ATOM 460 N ALA A 31 -5.033 -5.548 3.400 1.00 0.00 N ATOM 461 CA ALA A 31 -4.450 -5.201 4.685 1.00 0.00 C ATOM 462 C ALA A 31 -3.502 -4.013 4.506 1.00 0.00 C ATOM 463 O ALA A 31 -3.444 -3.127 5.358 1.00 0.00 O ATOM 464 CB ALA A 31 -3.746 -6.425 5.274 1.00 0.00 C ATOM 0 H ALA A 31 -4.923 -6.526 3.132 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.226 -4.901 5.390 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.309 -6.164 6.238 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.468 -7.230 5.409 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.959 -6.754 4.595 1.00 0.00 H new ATOM 470 N GLY A 32 -2.783 -4.033 3.394 1.00 0.00 N ATOM 471 CA GLY A 32 -1.841 -2.968 3.092 1.00 0.00 C ATOM 472 C GLY A 32 -2.573 -1.674 2.732 1.00 0.00 C ATOM 473 O GLY A 32 -2.061 -0.581 2.968 1.00 0.00 O ATOM 0 H GLY A 32 -2.833 -4.770 2.691 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.193 -2.796 3.952 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.199 -3.269 2.264 1.00 0.00 H new ATOM 477 N LEU A 33 -3.760 -1.840 2.167 1.00 0.00 N ATOM 478 CA LEU A 33 -4.567 -0.699 1.772 1.00 0.00 C ATOM 479 C LEU A 33 -5.136 -0.025 3.022 1.00 0.00 C ATOM 480 O LEU A 33 -5.208 1.201 3.093 1.00 0.00 O ATOM 481 CB LEU A 33 -5.636 -1.122 0.762 1.00 0.00 C ATOM 482 CG LEU A 33 -6.181 -0.014 -0.142 1.00 0.00 C ATOM 483 CD1 LEU A 33 -5.157 0.376 -1.209 1.00 0.00 C ATOM 484 CD2 LEU A 33 -7.523 -0.418 -0.756 1.00 0.00 C ATOM 0 H LEU A 33 -4.182 -2.748 1.973 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.953 0.042 1.260 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.220 -1.907 0.131 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.471 -1.561 1.309 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.360 0.870 0.471 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.569 1.165 -1.838 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.248 0.734 -0.727 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.923 -0.493 -1.824 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.888 0.387 -1.394 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.393 -1.322 -1.351 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.245 -0.607 0.039 1.00 0.00 H new ATOM 496 N PHE A 34 -5.526 -0.856 3.978 1.00 0.00 N ATOM 497 CA PHE A 34 -6.086 -0.355 5.222 1.00 0.00 C ATOM 498 C PHE A 34 -5.023 0.370 6.049 1.00 0.00 C ATOM 499 O PHE A 34 -5.181 1.546 6.376 1.00 0.00 O ATOM 500 CB PHE A 34 -6.586 -1.569 6.007 1.00 0.00 C ATOM 501 CG PHE A 34 -8.082 -1.844 5.843 1.00 0.00 C ATOM 502 CD1 PHE A 34 -8.527 -2.573 4.784 1.00 0.00 C ATOM 503 CD2 PHE A 34 -8.966 -1.360 6.756 1.00 0.00 C ATOM 504 CE1 PHE A 34 -9.915 -2.828 4.632 1.00 0.00 C ATOM 505 CE2 PHE A 34 -10.355 -1.615 6.603 1.00 0.00 C ATOM 506 CZ PHE A 34 -10.800 -2.344 5.544 1.00 0.00 C ATOM 0 H PHE A 34 -5.465 -1.872 3.916 1.00 0.00 H new ATOM 0 HA PHE A 34 -6.888 0.352 5.011 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -6.028 -2.450 5.688 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.368 -1.420 7.065 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -7.825 -2.957 4.059 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -8.612 -0.782 7.597 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -10.268 -3.407 3.791 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -11.058 -1.230 7.327 1.00 0.00 H new ATOM 0 HZ PHE A 34 -11.856 -2.538 5.428 1.00 0.00 H new ATOM 516 N VAL A 35 -3.963 -0.360 6.363 1.00 0.00 N ATOM 517 CA VAL A 35 -2.874 0.199 7.146 1.00 0.00 C ATOM 518 C VAL A 35 -2.355 1.464 6.459 1.00 0.00 C ATOM 519 O VAL A 35 -2.248 2.516 7.087 1.00 0.00 O ATOM 520 CB VAL A 35 -1.786 -0.855 7.358 1.00 0.00 C ATOM 521 CG1 VAL A 35 -1.208 -1.322 6.021 1.00 0.00 C ATOM 522 CG2 VAL A 35 -0.684 -0.329 8.279 1.00 0.00 C ATOM 0 H VAL A 35 -3.835 -1.334 6.089 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.225 0.487 8.137 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.244 -1.716 7.844 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.437 -2.071 6.200 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.002 -1.756 5.413 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.773 -0.472 5.496 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.076 -1.098 8.413 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.230 0.557 7.834 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.112 -0.070 9.247 1.00 0.00 H new ATOM 532 N GLY A 36 -2.046 1.319 5.179 1.00 0.00 N ATOM 533 CA GLY A 36 -1.541 2.437 4.400 1.00 0.00 C ATOM 534 C GLY A 36 -2.465 3.651 4.519 1.00 0.00 C ATOM 535 O GLY A 36 -2.037 4.721 4.949 1.00 0.00 O ATOM 0 H GLY A 36 -2.136 0.444 4.662 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.541 2.702 4.743 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.452 2.145 3.354 1.00 0.00 H new ATOM 539 N CYS A 37 -3.715 3.443 4.131 1.00 0.00 N ATOM 540 CA CYS A 37 -4.702 4.508 4.190 1.00 0.00 C ATOM 541 C CYS A 37 -4.663 5.123 5.590 1.00 0.00 C ATOM 542 O CYS A 37 -4.659 6.344 5.735 1.00 0.00 O ATOM 543 CB CYS A 37 -6.100 4.002 3.827 1.00 0.00 C ATOM 544 SG CYS A 37 -6.180 3.610 2.041 1.00 0.00 S ATOM 0 H CYS A 37 -4.066 2.554 3.775 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.460 5.273 3.452 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -6.338 3.115 4.413 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -6.845 4.758 4.076 1.00 0.00 H new ATOM 0 HG CYS A 37 -5.734 2.405 1.841 1.00 0.00 H new ATOM 550 N LEU A 38 -4.635 4.249 6.585 1.00 0.00 N ATOM 551 CA LEU A 38 -4.597 4.691 7.969 1.00 0.00 C ATOM 552 C LEU A 38 -3.523 5.770 8.125 1.00 0.00 C ATOM 553 O LEU A 38 -3.824 6.899 8.510 1.00 0.00 O ATOM 554 CB LEU A 38 -4.411 3.498 8.908 1.00 0.00 C ATOM 555 CG LEU A 38 -5.352 3.439 10.112 1.00 0.00 C ATOM 556 CD1 LEU A 38 -5.099 4.609 11.064 1.00 0.00 C ATOM 557 CD2 LEU A 38 -6.813 3.371 9.663 1.00 0.00 C ATOM 0 H LEU A 38 -4.638 3.237 6.461 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.548 5.143 8.251 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.536 2.583 8.329 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.384 3.506 9.274 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.142 2.523 10.665 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.781 4.543 11.911 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.070 4.570 11.423 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.265 5.549 10.537 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.461 3.330 10.538 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.054 4.256 9.074 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.966 2.479 9.056 1.00 0.00 H new ATOM 569 N ALA A 39 -2.293 5.385 7.818 1.00 0.00 N ATOM 570 CA ALA A 39 -1.174 6.305 7.919 1.00 0.00 C ATOM 571 C ALA A 39 -1.414 7.498 6.993 1.00 0.00 C ATOM 572 O ALA A 39 -1.657 8.611 7.458 1.00 0.00 O ATOM 573 CB ALA A 39 0.126 5.566 7.593 1.00 0.00 C ATOM 0 H ALA A 39 -2.047 4.448 7.499 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.085 6.690 8.935 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.966 6.257 7.669 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.265 4.746 8.298 1.00 0.00 H new ATOM 0 HB3 ALA A 39 0.074 5.168 6.580 1.00 0.00 H new ATOM 579 N GLY A 40 -1.338 7.226 5.698 1.00 0.00 N ATOM 580 CA GLY A 40 -1.545 8.264 4.702 1.00 0.00 C ATOM 581 C GLY A 40 -2.642 9.235 5.142 1.00 0.00 C ATOM 582 O GLY A 40 -2.351 10.334 5.613 1.00 0.00 O ATOM 0 H GLY A 40 -1.136 6.302 5.316 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.615 8.809 4.541 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.817 7.810 3.749 1.00 0.00 H new ATOM 586 N TYR A 41 -3.880 8.796 4.972 1.00 0.00 N ATOM 587 CA TYR A 41 -5.022 9.613 5.346 1.00 0.00 C ATOM 588 C TYR A 41 -4.750 10.374 6.645 1.00 0.00 C ATOM 589 O TYR A 41 -4.893 11.595 6.695 1.00 0.00 O ATOM 590 CB TYR A 41 -6.181 8.640 5.571 1.00 0.00 C ATOM 591 CG TYR A 41 -7.565 9.270 5.401 1.00 0.00 C ATOM 592 CD1 TYR A 41 -8.005 10.220 6.300 1.00 0.00 C ATOM 593 CD2 TYR A 41 -8.372 8.889 4.349 1.00 0.00 C ATOM 594 CE1 TYR A 41 -9.307 10.814 6.141 1.00 0.00 C ATOM 595 CE2 TYR A 41 -9.675 9.482 4.190 1.00 0.00 C ATOM 596 CZ TYR A 41 -10.078 10.415 5.093 1.00 0.00 C ATOM 597 OH TYR A 41 -11.308 10.976 4.942 1.00 0.00 O ATOM 0 H TYR A 41 -4.118 7.885 4.580 1.00 0.00 H new ATOM 0 HA TYR A 41 -5.238 10.348 4.571 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -6.084 7.808 4.874 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -6.103 8.225 6.576 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -7.373 10.518 7.123 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -8.027 8.146 3.645 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -9.663 11.559 6.837 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -10.317 9.192 3.372 1.00 0.00 H new ATOM 0 HH TYR A 41 -11.746 10.597 4.151 1.00 0.00 H new ATOM 607 N GLY A 42 -4.364 9.621 7.664 1.00 0.00 N ATOM 608 CA GLY A 42 -4.071 10.209 8.960 1.00 0.00 C ATOM 609 C GLY A 42 -3.192 11.453 8.812 1.00 0.00 C ATOM 610 O GLY A 42 -3.593 12.550 9.198 1.00 0.00 O ATOM 0 H GLY A 42 -4.247 8.609 7.619 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.002 10.475 9.462 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.567 9.476 9.590 1.00 0.00 H new ATOM 614 N ALA A 43 -2.011 11.240 8.252 1.00 0.00 N ATOM 615 CA ALA A 43 -1.072 12.330 8.048 1.00 0.00 C ATOM 616 C ALA A 43 -1.746 13.430 7.224 1.00 0.00 C ATOM 617 O ALA A 43 -1.415 14.606 7.365 1.00 0.00 O ATOM 618 CB ALA A 43 0.195 11.794 7.379 1.00 0.00 C ATOM 0 H ALA A 43 -1.682 10.329 7.933 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.777 12.766 9.002 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.899 12.612 7.226 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.651 11.037 8.017 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.061 11.351 6.417 1.00 0.00 H new ATOM 624 N TYR A 44 -2.678 13.008 6.383 1.00 0.00 N ATOM 625 CA TYR A 44 -3.401 13.943 5.537 1.00 0.00 C ATOM 626 C TYR A 44 -4.311 14.847 6.372 1.00 0.00 C ATOM 627 O TYR A 44 -4.505 16.015 6.039 1.00 0.00 O ATOM 628 CB TYR A 44 -4.265 13.088 4.607 1.00 0.00 C ATOM 629 CG TYR A 44 -4.394 13.647 3.189 1.00 0.00 C ATOM 630 CD1 TYR A 44 -3.277 14.118 2.529 1.00 0.00 C ATOM 631 CD2 TYR A 44 -5.626 13.681 2.570 1.00 0.00 C ATOM 632 CE1 TYR A 44 -3.397 14.645 1.194 1.00 0.00 C ATOM 633 CE2 TYR A 44 -5.747 14.207 1.235 1.00 0.00 C ATOM 634 CZ TYR A 44 -4.627 14.663 0.613 1.00 0.00 C ATOM 635 OH TYR A 44 -4.741 15.160 -0.648 1.00 0.00 O ATOM 0 H TYR A 44 -2.950 12.031 6.269 1.00 0.00 H new ATOM 0 HA TYR A 44 -2.708 14.584 4.992 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -3.841 12.085 4.554 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -5.261 12.991 5.040 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.312 14.091 3.014 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -6.500 13.313 3.087 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.531 15.017 0.667 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -6.706 14.239 0.739 1.00 0.00 H new ATOM 0 HH TYR A 44 -5.676 15.109 -0.936 1.00 0.00 H new ATOM 645 N ARG A 45 -4.844 14.272 7.440 1.00 0.00 N ATOM 646 CA ARG A 45 -5.729 15.011 8.324 1.00 0.00 C ATOM 647 C ARG A 45 -5.138 16.387 8.637 1.00 0.00 C ATOM 648 O ARG A 45 -5.824 17.402 8.525 1.00 0.00 O ATOM 649 CB ARG A 45 -5.958 14.253 9.633 1.00 0.00 C ATOM 650 CG ARG A 45 -6.782 12.986 9.395 1.00 0.00 C ATOM 651 CD ARG A 45 -7.794 12.770 10.523 1.00 0.00 C ATOM 652 NE ARG A 45 -7.209 11.902 11.569 1.00 0.00 N ATOM 653 CZ ARG A 45 -7.661 11.833 12.828 1.00 0.00 C ATOM 654 NH1 ARG A 45 -8.707 12.581 13.206 1.00 0.00 N ATOM 655 NH2 ARG A 45 -7.068 11.017 13.710 1.00 0.00 N ATOM 0 H ARG A 45 -4.680 13.303 7.713 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.685 15.129 7.813 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -4.998 13.989 10.077 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -6.473 14.898 10.346 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -7.305 13.062 8.442 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -6.119 12.124 9.327 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -8.081 13.729 10.954 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -8.701 12.314 10.126 1.00 0.00 H new ATOM 0 HE ARG A 45 -6.411 11.319 11.315 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.159 13.202 12.535 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -9.051 12.529 14.165 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -6.272 10.448 13.423 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -7.413 10.965 14.669 1.00 0.00 H new ATOM 669 N VAL A 46 -3.870 16.378 9.022 1.00 0.00 N ATOM 670 CA VAL A 46 -3.179 17.613 9.352 1.00 0.00 C ATOM 671 C VAL A 46 -1.896 17.285 10.118 1.00 0.00 C ATOM 672 O VAL A 46 -0.832 17.822 9.812 1.00 0.00 O ATOM 673 CB VAL A 46 -4.114 18.546 10.124 1.00 0.00 C ATOM 674 CG1 VAL A 46 -3.398 19.171 11.323 1.00 0.00 C ATOM 675 CG2 VAL A 46 -4.692 19.625 9.206 1.00 0.00 C ATOM 0 H VAL A 46 -3.303 15.535 9.113 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.890 18.143 8.444 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.944 17.950 10.504 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.085 19.830 11.854 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.058 18.383 11.995 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.540 19.746 10.975 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.353 20.275 9.779 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -3.880 20.216 8.783 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.255 19.154 8.401 1.00 0.00 H new ATOM 685 N SER A 47 -2.038 16.406 11.098 1.00 0.00 N ATOM 686 CA SER A 47 -0.903 16.000 11.910 1.00 0.00 C ATOM 687 C SER A 47 0.171 15.361 11.027 1.00 0.00 C ATOM 688 O SER A 47 -0.080 15.053 9.863 1.00 0.00 O ATOM 689 CB SER A 47 -1.332 15.028 13.010 1.00 0.00 C ATOM 690 OG SER A 47 -1.785 13.786 12.478 1.00 0.00 O ATOM 0 H SER A 47 -2.922 15.963 11.349 1.00 0.00 H new ATOM 0 HA SER A 47 -0.490 16.888 12.388 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.494 14.850 13.683 1.00 0.00 H new ATOM 0 HB3 SER A 47 -2.127 15.480 13.603 1.00 0.00 H new ATOM 0 HG SER A 47 -2.048 13.192 13.212 1.00 0.00 H new ATOM 696 N ASN A 48 1.345 15.182 11.614 1.00 0.00 N ATOM 697 CA ASN A 48 2.458 14.585 10.895 1.00 0.00 C ATOM 698 C ASN A 48 2.846 15.490 9.723 1.00 0.00 C ATOM 699 O ASN A 48 2.112 15.587 8.740 1.00 0.00 O ATOM 700 CB ASN A 48 2.077 13.216 10.329 1.00 0.00 C ATOM 701 CG ASN A 48 2.532 12.091 11.263 1.00 0.00 C ATOM 702 OD1 ASN A 48 2.284 12.103 12.457 1.00 0.00 O ATOM 703 ND2 ASN A 48 3.210 11.123 10.653 1.00 0.00 N ATOM 0 H ASN A 48 1.550 15.440 12.579 1.00 0.00 H new ATOM 0 HA ASN A 48 3.287 14.468 11.593 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.997 13.164 10.190 1.00 0.00 H new ATOM 0 HB3 ASN A 48 2.532 13.085 9.347 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.557 10.328 11.189 1.00 0.00 H new ATOM 0 HD22 ASN A 48 3.382 11.176 9.649 1.00 0.00 H new ATOM 710 N ASP A 49 3.997 16.128 9.866 1.00 0.00 N ATOM 711 CA ASP A 49 4.491 17.021 8.832 1.00 0.00 C ATOM 712 C ASP A 49 5.023 16.193 7.661 1.00 0.00 C ATOM 713 O ASP A 49 6.218 16.219 7.370 1.00 0.00 O ATOM 714 CB ASP A 49 5.637 17.890 9.355 1.00 0.00 C ATOM 715 CG ASP A 49 5.209 19.231 9.956 1.00 0.00 C ATOM 716 OD1 ASP A 49 4.798 19.306 11.123 1.00 0.00 O ATOM 717 OD2 ASP A 49 5.313 20.242 9.161 1.00 0.00 O ATOM 0 H ASP A 49 4.603 16.045 10.683 1.00 0.00 H new ATOM 0 HA ASP A 49 3.667 17.662 8.518 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.183 17.327 10.112 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.331 18.081 8.537 1.00 0.00 H new ATOM 780 N VAL A 53 3.789 11.032 -1.038 1.00 0.00 N ATOM 781 CA VAL A 53 4.800 10.094 -1.496 1.00 0.00 C ATOM 782 C VAL A 53 5.688 9.690 -0.317 1.00 0.00 C ATOM 783 O VAL A 53 5.776 8.511 0.022 1.00 0.00 O ATOM 784 CB VAL A 53 5.589 10.702 -2.658 1.00 0.00 C ATOM 785 CG1 VAL A 53 6.442 9.641 -3.356 1.00 0.00 C ATOM 786 CG2 VAL A 53 4.655 11.396 -3.651 1.00 0.00 C ATOM 0 HA VAL A 53 4.333 9.186 -1.877 1.00 0.00 H new ATOM 0 HB VAL A 53 6.262 11.456 -2.248 1.00 0.00 H new ATOM 0 HG11 VAL A 53 6.992 10.099 -4.178 1.00 0.00 H new ATOM 0 HG12 VAL A 53 7.146 9.213 -2.642 1.00 0.00 H new ATOM 0 HG13 VAL A 53 5.797 8.854 -3.746 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.241 11.819 -4.467 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.946 10.671 -4.051 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.111 12.193 -3.143 1.00 0.00 H new ATOM 796 N LYS A 54 6.322 10.692 0.274 1.00 0.00 N ATOM 797 CA LYS A 54 7.200 10.456 1.408 1.00 0.00 C ATOM 798 C LYS A 54 6.573 9.400 2.322 1.00 0.00 C ATOM 799 O LYS A 54 7.110 8.303 2.468 1.00 0.00 O ATOM 800 CB LYS A 54 7.522 11.772 2.119 1.00 0.00 C ATOM 801 CG LYS A 54 8.929 12.256 1.764 1.00 0.00 C ATOM 802 CD LYS A 54 9.888 12.064 2.941 1.00 0.00 C ATOM 803 CE LYS A 54 11.288 12.578 2.597 1.00 0.00 C ATOM 804 NZ LYS A 54 12.184 11.452 2.252 1.00 0.00 N ATOM 0 H LYS A 54 6.245 11.668 -0.011 1.00 0.00 H new ATOM 0 HA LYS A 54 8.158 10.059 1.072 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.791 12.530 1.838 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.441 11.636 3.197 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.298 11.708 0.897 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.896 13.309 1.485 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.507 12.593 3.815 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.939 11.008 3.205 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.231 13.274 1.760 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.697 13.130 3.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.129 11.819 2.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.253 10.802 3.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 11.801 10.942 1.431 1.00 0.00 H new ATOM 818 N VAL A 55 5.446 9.769 2.913 1.00 0.00 N ATOM 819 CA VAL A 55 4.741 8.868 3.808 1.00 0.00 C ATOM 820 C VAL A 55 4.750 7.458 3.216 1.00 0.00 C ATOM 821 O VAL A 55 5.154 6.504 3.880 1.00 0.00 O ATOM 822 CB VAL A 55 3.329 9.395 4.075 1.00 0.00 C ATOM 823 CG1 VAL A 55 2.528 8.408 4.926 1.00 0.00 C ATOM 824 CG2 VAL A 55 3.375 10.775 4.733 1.00 0.00 C ATOM 0 H VAL A 55 5.004 10.680 2.789 1.00 0.00 H new ATOM 0 HA VAL A 55 5.244 8.818 4.774 1.00 0.00 H new ATOM 0 HB VAL A 55 2.822 9.498 3.116 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.529 8.806 5.101 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.452 7.455 4.403 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.032 8.259 5.881 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.359 11.127 4.912 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.908 10.708 5.681 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.891 11.475 4.075 1.00 0.00 H new ATOM 834 N SER A 56 4.300 7.369 1.973 1.00 0.00 N ATOM 835 CA SER A 56 4.252 6.090 1.284 1.00 0.00 C ATOM 836 C SER A 56 5.603 5.382 1.400 1.00 0.00 C ATOM 837 O SER A 56 5.661 4.200 1.737 1.00 0.00 O ATOM 838 CB SER A 56 3.872 6.271 -0.187 1.00 0.00 C ATOM 839 OG SER A 56 2.530 5.868 -0.446 1.00 0.00 O ATOM 0 H SER A 56 3.965 8.162 1.425 1.00 0.00 H new ATOM 0 HA SER A 56 3.486 5.476 1.756 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.997 7.317 -0.467 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.552 5.690 -0.811 1.00 0.00 H new ATOM 0 HG SER A 56 2.326 6.001 -1.395 1.00 0.00 H new ATOM 845 N LEU A 57 6.656 6.134 1.114 1.00 0.00 N ATOM 846 CA LEU A 57 8.003 5.592 1.182 1.00 0.00 C ATOM 847 C LEU A 57 8.247 5.018 2.579 1.00 0.00 C ATOM 848 O LEU A 57 8.920 3.999 2.726 1.00 0.00 O ATOM 849 CB LEU A 57 9.027 6.649 0.765 1.00 0.00 C ATOM 850 CG LEU A 57 10.496 6.281 0.979 1.00 0.00 C ATOM 851 CD1 LEU A 57 11.119 5.740 -0.310 1.00 0.00 C ATOM 852 CD2 LEU A 57 11.282 7.467 1.542 1.00 0.00 C ATOM 0 H LEU A 57 6.604 7.114 0.835 1.00 0.00 H new ATOM 0 HA LEU A 57 8.120 4.771 0.474 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.879 6.872 -0.292 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.819 7.566 1.317 1.00 0.00 H new ATOM 0 HG LEU A 57 10.544 5.483 1.720 1.00 0.00 H new ATOM 0 HD11 LEU A 57 12.164 5.486 -0.130 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.579 4.849 -0.629 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.059 6.499 -1.090 1.00 0.00 H new ATOM 0 HD21 LEU A 57 12.323 7.178 1.685 1.00 0.00 H new ATOM 0 HD22 LEU A 57 11.229 8.303 0.844 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.854 7.766 2.499 1.00 0.00 H new ATOM 864 N PHE A 58 7.685 5.696 3.569 1.00 0.00 N ATOM 865 CA PHE A 58 7.834 5.266 4.949 1.00 0.00 C ATOM 866 C PHE A 58 6.958 4.045 5.240 1.00 0.00 C ATOM 867 O PHE A 58 7.259 3.260 6.138 1.00 0.00 O ATOM 868 CB PHE A 58 7.377 6.429 5.832 1.00 0.00 C ATOM 869 CG PHE A 58 8.524 7.213 6.471 1.00 0.00 C ATOM 870 CD1 PHE A 58 9.344 6.606 7.371 1.00 0.00 C ATOM 871 CD2 PHE A 58 8.724 8.517 6.141 1.00 0.00 C ATOM 872 CE1 PHE A 58 10.409 7.334 7.964 1.00 0.00 C ATOM 873 CE2 PHE A 58 9.789 9.245 6.734 1.00 0.00 C ATOM 874 CZ PHE A 58 10.609 8.638 7.634 1.00 0.00 C ATOM 0 H PHE A 58 7.126 6.540 3.443 1.00 0.00 H new ATOM 0 HA PHE A 58 8.871 4.991 5.143 1.00 0.00 H new ATOM 0 HB2 PHE A 58 6.774 7.111 5.233 1.00 0.00 H new ATOM 0 HB3 PHE A 58 6.732 6.041 6.620 1.00 0.00 H new ATOM 0 HD1 PHE A 58 9.185 5.571 7.634 1.00 0.00 H new ATOM 0 HD2 PHE A 58 8.072 8.999 5.427 1.00 0.00 H new ATOM 0 HE1 PHE A 58 11.061 6.852 8.678 1.00 0.00 H new ATOM 0 HE2 PHE A 58 9.948 10.280 6.471 1.00 0.00 H new ATOM 0 HZ PHE A 58 11.419 9.192 8.086 1.00 0.00 H new ATOM 884 N THR A 59 5.891 3.924 4.463 1.00 0.00 N ATOM 885 CA THR A 59 4.970 2.812 4.626 1.00 0.00 C ATOM 886 C THR A 59 5.620 1.508 4.160 1.00 0.00 C ATOM 887 O THR A 59 5.598 0.508 4.877 1.00 0.00 O ATOM 888 CB THR A 59 3.682 3.152 3.874 1.00 0.00 C ATOM 889 OG1 THR A 59 3.187 4.311 4.538 1.00 0.00 O ATOM 890 CG2 THR A 59 2.586 2.105 4.087 1.00 0.00 C ATOM 0 H THR A 59 5.644 4.577 3.720 1.00 0.00 H new ATOM 0 HA THR A 59 4.720 2.656 5.675 1.00 0.00 H new ATOM 0 HB THR A 59 3.897 3.242 2.809 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.700 5.096 4.252 1.00 0.00 H new ATOM 0 HG21 THR A 59 1.694 2.394 3.532 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.935 1.135 3.733 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.347 2.039 5.148 1.00 0.00 H new ATOM 898 N ALA A 60 6.183 1.560 2.962 1.00 0.00 N ATOM 899 CA ALA A 60 6.838 0.395 2.392 1.00 0.00 C ATOM 900 C ALA A 60 8.142 0.128 3.147 1.00 0.00 C ATOM 901 O ALA A 60 8.521 -1.025 3.350 1.00 0.00 O ATOM 902 CB ALA A 60 7.066 0.618 0.896 1.00 0.00 C ATOM 0 H ALA A 60 6.199 2.391 2.370 1.00 0.00 H new ATOM 0 HA ALA A 60 6.209 -0.489 2.498 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.557 -0.256 0.469 1.00 0.00 H new ATOM 0 HB2 ALA A 60 6.107 0.774 0.401 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.696 1.496 0.751 1.00 0.00 H new ATOM 908 N PHE A 61 8.792 1.212 3.542 1.00 0.00 N ATOM 909 CA PHE A 61 10.045 1.109 4.270 1.00 0.00 C ATOM 910 C PHE A 61 9.859 0.335 5.576 1.00 0.00 C ATOM 911 O PHE A 61 10.616 -0.591 5.866 1.00 0.00 O ATOM 912 CB PHE A 61 10.491 2.536 4.596 1.00 0.00 C ATOM 913 CG PHE A 61 11.746 2.612 5.469 1.00 0.00 C ATOM 914 CD1 PHE A 61 12.913 2.071 5.030 1.00 0.00 C ATOM 915 CD2 PHE A 61 11.693 3.220 6.685 1.00 0.00 C ATOM 916 CE1 PHE A 61 14.078 2.141 5.841 1.00 0.00 C ATOM 917 CE2 PHE A 61 12.857 3.290 7.495 1.00 0.00 C ATOM 918 CZ PHE A 61 14.024 2.749 7.056 1.00 0.00 C ATOM 0 H PHE A 61 8.475 2.166 3.372 1.00 0.00 H new ATOM 0 HA PHE A 61 10.783 0.579 3.667 1.00 0.00 H new ATOM 0 HB2 PHE A 61 10.677 3.070 3.664 1.00 0.00 H new ATOM 0 HB3 PHE A 61 9.676 3.053 5.103 1.00 0.00 H new ATOM 0 HD1 PHE A 61 12.955 1.588 4.065 1.00 0.00 H new ATOM 0 HD2 PHE A 61 10.766 3.649 7.034 1.00 0.00 H new ATOM 0 HE1 PHE A 61 15.006 1.712 5.492 1.00 0.00 H new ATOM 0 HE2 PHE A 61 12.815 3.773 8.460 1.00 0.00 H new ATOM 0 HZ PHE A 61 14.909 2.802 7.673 1.00 0.00 H new ATOM 928 N PHE A 62 8.847 0.741 6.329 1.00 0.00 N ATOM 929 CA PHE A 62 8.552 0.097 7.597 1.00 0.00 C ATOM 930 C PHE A 62 8.054 -1.334 7.382 1.00 0.00 C ATOM 931 O PHE A 62 8.458 -2.250 8.098 1.00 0.00 O ATOM 932 CB PHE A 62 7.445 0.914 8.267 1.00 0.00 C ATOM 933 CG PHE A 62 7.549 0.970 9.792 1.00 0.00 C ATOM 934 CD1 PHE A 62 8.356 1.891 10.385 1.00 0.00 C ATOM 935 CD2 PHE A 62 6.836 0.099 10.555 1.00 0.00 C ATOM 936 CE1 PHE A 62 8.452 1.943 11.801 1.00 0.00 C ATOM 937 CE2 PHE A 62 6.933 0.151 11.971 1.00 0.00 C ATOM 938 CZ PHE A 62 7.739 1.072 12.564 1.00 0.00 C ATOM 0 H PHE A 62 8.221 1.508 6.085 1.00 0.00 H new ATOM 0 HA PHE A 62 9.452 0.052 8.210 1.00 0.00 H new ATOM 0 HB2 PHE A 62 7.469 1.930 7.874 1.00 0.00 H new ATOM 0 HB3 PHE A 62 6.479 0.490 7.994 1.00 0.00 H new ATOM 0 HD1 PHE A 62 8.923 2.582 9.779 1.00 0.00 H new ATOM 0 HD2 PHE A 62 6.196 -0.632 10.084 1.00 0.00 H new ATOM 0 HE1 PHE A 62 9.092 2.675 12.272 1.00 0.00 H new ATOM 0 HE2 PHE A 62 6.367 -0.541 12.577 1.00 0.00 H new ATOM 0 HZ PHE A 62 7.813 1.112 13.641 1.00 0.00 H new ATOM 948 N LEU A 63 7.185 -1.482 6.394 1.00 0.00 N ATOM 949 CA LEU A 63 6.628 -2.786 6.076 1.00 0.00 C ATOM 950 C LEU A 63 7.766 -3.762 5.776 1.00 0.00 C ATOM 951 O LEU A 63 7.912 -4.779 6.453 1.00 0.00 O ATOM 952 CB LEU A 63 5.603 -2.670 4.946 1.00 0.00 C ATOM 953 CG LEU A 63 4.424 -3.642 5.007 1.00 0.00 C ATOM 954 CD1 LEU A 63 3.105 -2.893 5.208 1.00 0.00 C ATOM 955 CD2 LEU A 63 4.389 -4.541 3.769 1.00 0.00 C ATOM 0 H LEU A 63 6.852 -0.720 5.803 1.00 0.00 H new ATOM 0 HA LEU A 63 6.082 -3.186 6.930 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.210 -1.653 4.942 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.120 -2.816 3.997 1.00 0.00 H new ATOM 0 HG LEU A 63 4.561 -4.290 5.872 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.283 -3.608 5.248 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.144 -2.332 6.142 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.947 -2.205 4.378 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.541 -5.222 3.838 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.288 -3.925 2.875 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.313 -5.116 3.711 1.00 0.00 H new ATOM 967 N ALA A 64 8.545 -3.420 4.760 1.00 0.00 N ATOM 968 CA ALA A 64 9.666 -4.254 4.362 1.00 0.00 C ATOM 969 C ALA A 64 10.525 -4.566 5.589 1.00 0.00 C ATOM 970 O ALA A 64 10.823 -5.727 5.863 1.00 0.00 O ATOM 971 CB ALA A 64 10.460 -3.550 3.259 1.00 0.00 C ATOM 0 H ALA A 64 8.422 -2.576 4.200 1.00 0.00 H new ATOM 0 HA ALA A 64 9.313 -5.202 3.956 1.00 0.00 H new ATOM 0 HB1 ALA A 64 11.301 -4.176 2.960 1.00 0.00 H new ATOM 0 HB2 ALA A 64 9.813 -3.377 2.399 1.00 0.00 H new ATOM 0 HB3 ALA A 64 10.832 -2.595 3.631 1.00 0.00 H new ATOM 977 N THR A 65 10.898 -3.509 6.295 1.00 0.00 N ATOM 978 CA THR A 65 11.717 -3.656 7.487 1.00 0.00 C ATOM 979 C THR A 65 11.050 -4.613 8.477 1.00 0.00 C ATOM 980 O THR A 65 11.732 -5.304 9.232 1.00 0.00 O ATOM 981 CB THR A 65 11.966 -2.261 8.064 1.00 0.00 C ATOM 982 OG1 THR A 65 12.998 -1.724 7.242 1.00 0.00 O ATOM 983 CG2 THR A 65 12.589 -2.308 9.461 1.00 0.00 C ATOM 0 H THR A 65 10.648 -2.547 6.065 1.00 0.00 H new ATOM 0 HA THR A 65 12.683 -4.103 7.251 1.00 0.00 H new ATOM 0 HB THR A 65 11.025 -1.712 8.104 1.00 0.00 H new ATOM 0 HG1 THR A 65 12.600 -1.185 6.527 1.00 0.00 H new ATOM 0 HG21 THR A 65 12.745 -1.292 9.824 1.00 0.00 H new ATOM 0 HG22 THR A 65 11.921 -2.837 10.140 1.00 0.00 H new ATOM 0 HG23 THR A 65 13.546 -2.828 9.415 1.00 0.00 H new ATOM 991 N ILE A 66 9.726 -4.623 8.441 1.00 0.00 N ATOM 992 CA ILE A 66 8.960 -5.484 9.326 1.00 0.00 C ATOM 993 C ILE A 66 8.980 -6.914 8.782 1.00 0.00 C ATOM 994 O ILE A 66 8.905 -7.874 9.547 1.00 0.00 O ATOM 995 CB ILE A 66 7.550 -4.924 9.530 1.00 0.00 C ATOM 996 CG1 ILE A 66 7.568 -3.730 10.486 1.00 0.00 C ATOM 997 CG2 ILE A 66 6.588 -6.018 9.998 1.00 0.00 C ATOM 998 CD1 ILE A 66 7.877 -4.176 11.916 1.00 0.00 C ATOM 0 H ILE A 66 9.164 -4.049 7.813 1.00 0.00 H new ATOM 0 HA ILE A 66 9.414 -5.512 10.317 1.00 0.00 H new ATOM 0 HB ILE A 66 7.184 -4.562 8.569 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.315 -3.008 10.157 1.00 0.00 H new ATOM 0 HG13 ILE A 66 6.603 -3.224 10.460 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.593 -5.594 10.135 1.00 0.00 H new ATOM 0 HG22 ILE A 66 6.545 -6.809 9.249 1.00 0.00 H new ATOM 0 HG23 ILE A 66 6.940 -6.432 10.943 1.00 0.00 H new ATOM 0 HD11 ILE A 66 7.884 -3.307 12.575 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.114 -4.879 12.251 1.00 0.00 H new ATOM 0 HD13 ILE A 66 8.854 -4.659 11.943 1.00 0.00 H new ATOM 1010 N MET A 67 9.083 -7.011 7.465 1.00 0.00 N ATOM 1011 CA MET A 67 9.114 -8.308 6.810 1.00 0.00 C ATOM 1012 C MET A 67 10.503 -8.941 6.915 1.00 0.00 C ATOM 1013 O MET A 67 10.672 -9.970 7.568 1.00 0.00 O ATOM 1014 CB MET A 67 8.738 -8.145 5.336 1.00 0.00 C ATOM 1015 CG MET A 67 7.253 -8.440 5.114 1.00 0.00 C ATOM 1016 SD MET A 67 7.060 -9.679 3.843 1.00 0.00 S ATOM 1017 CE MET A 67 6.221 -10.950 4.774 1.00 0.00 C ATOM 0 H MET A 67 9.146 -6.213 6.833 1.00 0.00 H new ATOM 0 HA MET A 67 8.398 -8.962 7.307 1.00 0.00 H new ATOM 0 HB2 MET A 67 8.964 -7.130 5.009 1.00 0.00 H new ATOM 0 HB3 MET A 67 9.341 -8.818 4.726 1.00 0.00 H new ATOM 0 HG2 MET A 67 6.800 -8.786 6.043 1.00 0.00 H new ATOM 0 HG3 MET A 67 6.732 -7.527 4.826 1.00 0.00 H new ATOM 0 HE1 MET A 67 6.022 -11.804 4.127 1.00 0.00 H new ATOM 0 HE2 MET A 67 6.849 -11.265 5.608 1.00 0.00 H new ATOM 0 HE3 MET A 67 5.279 -10.558 5.157 1.00 0.00 H new ATOM 1027 N GLY A 68 11.462 -8.301 6.262 1.00 0.00 N ATOM 1028 CA GLY A 68 12.830 -8.789 6.274 1.00 0.00 C ATOM 1029 C GLY A 68 13.825 -7.636 6.122 1.00 0.00 C ATOM 1030 O GLY A 68 14.203 -7.004 7.106 1.00 0.00 O ATOM 0 H GLY A 68 11.318 -7.448 5.721 1.00 0.00 H new ATOM 0 HA2 GLY A 68 13.022 -9.320 7.207 1.00 0.00 H new ATOM 0 HA3 GLY A 68 12.971 -9.505 5.465 1.00 0.00 H new ATOM 1231 N PRO A 79 5.859 -10.073 -3.139 1.00 0.00 N ATOM 1232 CA PRO A 79 6.823 -9.012 -2.902 1.00 0.00 C ATOM 1233 C PRO A 79 6.772 -7.966 -4.017 1.00 0.00 C ATOM 1234 O PRO A 79 6.495 -6.795 -3.762 1.00 0.00 O ATOM 1235 CB PRO A 79 8.167 -9.715 -2.808 1.00 0.00 C ATOM 1236 CG PRO A 79 7.971 -11.077 -3.455 1.00 0.00 C ATOM 1237 CD PRO A 79 6.477 -11.312 -3.604 1.00 0.00 C ATOM 0 HA PRO A 79 6.617 -8.453 -1.990 1.00 0.00 H new ATOM 0 HB2 PRO A 79 8.942 -9.146 -3.322 1.00 0.00 H new ATOM 0 HB3 PRO A 79 8.482 -9.818 -1.770 1.00 0.00 H new ATOM 0 HG2 PRO A 79 8.462 -11.112 -4.428 1.00 0.00 H new ATOM 0 HG3 PRO A 79 8.421 -11.859 -2.843 1.00 0.00 H new ATOM 0 HD2 PRO A 79 6.211 -11.523 -4.640 1.00 0.00 H new ATOM 0 HD3 PRO A 79 6.149 -12.165 -3.010 1.00 0.00 H new ATOM 1245 N ALA A 80 7.045 -8.426 -5.229 1.00 0.00 N ATOM 1246 CA ALA A 80 7.034 -7.544 -6.384 1.00 0.00 C ATOM 1247 C ALA A 80 5.757 -6.701 -6.364 1.00 0.00 C ATOM 1248 O ALA A 80 5.819 -5.473 -6.411 1.00 0.00 O ATOM 1249 CB ALA A 80 7.163 -8.375 -7.662 1.00 0.00 C ATOM 0 H ALA A 80 7.275 -9.398 -5.436 1.00 0.00 H new ATOM 0 HA ALA A 80 7.882 -6.860 -6.353 1.00 0.00 H new ATOM 0 HB1 ALA A 80 7.155 -7.714 -8.528 1.00 0.00 H new ATOM 0 HB2 ALA A 80 8.099 -8.933 -7.640 1.00 0.00 H new ATOM 0 HB3 ALA A 80 6.327 -9.071 -7.729 1.00 0.00 H new ATOM 1255 N GLY A 81 4.630 -7.393 -6.295 1.00 0.00 N ATOM 1256 CA GLY A 81 3.341 -6.723 -6.268 1.00 0.00 C ATOM 1257 C GLY A 81 3.391 -5.472 -5.388 1.00 0.00 C ATOM 1258 O GLY A 81 3.025 -4.384 -5.829 1.00 0.00 O ATOM 0 H GLY A 81 4.582 -8.411 -6.257 1.00 0.00 H new ATOM 0 HA2 GLY A 81 3.049 -6.448 -7.281 1.00 0.00 H new ATOM 0 HA3 GLY A 81 2.580 -7.406 -5.892 1.00 0.00 H new ATOM 1262 N LEU A 82 3.848 -5.670 -4.160 1.00 0.00 N ATOM 1263 CA LEU A 82 3.951 -4.571 -3.215 1.00 0.00 C ATOM 1264 C LEU A 82 4.646 -3.387 -3.889 1.00 0.00 C ATOM 1265 O LEU A 82 4.157 -2.260 -3.830 1.00 0.00 O ATOM 1266 CB LEU A 82 4.635 -5.035 -1.927 1.00 0.00 C ATOM 1267 CG LEU A 82 3.796 -5.919 -1.003 1.00 0.00 C ATOM 1268 CD1 LEU A 82 4.663 -6.550 0.089 1.00 0.00 C ATOM 1269 CD2 LEU A 82 2.617 -5.138 -0.418 1.00 0.00 C ATOM 0 H LEU A 82 4.151 -6.574 -3.798 1.00 0.00 H new ATOM 0 HA LEU A 82 2.959 -4.230 -2.917 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.540 -5.580 -2.196 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.948 -4.153 -1.368 1.00 0.00 H new ATOM 0 HG LEU A 82 3.380 -6.734 -1.596 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.042 -7.173 0.732 1.00 0.00 H new ATOM 0 HD12 LEU A 82 5.439 -7.163 -0.371 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.127 -5.764 0.685 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.037 -5.790 0.235 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.991 -4.290 0.155 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.982 -4.777 -1.227 1.00 0.00 H new ATOM 1281 N VAL A 83 5.777 -3.683 -4.513 1.00 0.00 N ATOM 1282 CA VAL A 83 6.545 -2.657 -5.198 1.00 0.00 C ATOM 1283 C VAL A 83 5.658 -1.973 -6.240 1.00 0.00 C ATOM 1284 O VAL A 83 5.742 -0.761 -6.432 1.00 0.00 O ATOM 1285 CB VAL A 83 7.813 -3.266 -5.799 1.00 0.00 C ATOM 1286 CG1 VAL A 83 8.599 -2.222 -6.595 1.00 0.00 C ATOM 1287 CG2 VAL A 83 8.685 -3.899 -4.713 1.00 0.00 C ATOM 0 H VAL A 83 6.180 -4.619 -4.558 1.00 0.00 H new ATOM 0 HA VAL A 83 6.871 -1.890 -4.495 1.00 0.00 H new ATOM 0 HB VAL A 83 7.512 -4.055 -6.488 1.00 0.00 H new ATOM 0 HG11 VAL A 83 9.496 -2.681 -7.011 1.00 0.00 H new ATOM 0 HG12 VAL A 83 7.978 -1.839 -7.405 1.00 0.00 H new ATOM 0 HG13 VAL A 83 8.884 -1.401 -5.937 1.00 0.00 H new ATOM 0 HG21 VAL A 83 9.580 -4.325 -5.167 1.00 0.00 H new ATOM 0 HG22 VAL A 83 8.973 -3.138 -3.988 1.00 0.00 H new ATOM 0 HG23 VAL A 83 8.124 -4.686 -4.209 1.00 0.00 H new ATOM 1297 N ALA A 84 4.828 -2.779 -6.885 1.00 0.00 N ATOM 1298 CA ALA A 84 3.927 -2.266 -7.903 1.00 0.00 C ATOM 1299 C ALA A 84 2.900 -1.340 -7.249 1.00 0.00 C ATOM 1300 O ALA A 84 2.414 -0.402 -7.879 1.00 0.00 O ATOM 1301 CB ALA A 84 3.271 -3.435 -8.641 1.00 0.00 C ATOM 0 H ALA A 84 4.760 -3.784 -6.723 1.00 0.00 H new ATOM 0 HA ALA A 84 4.476 -1.681 -8.641 1.00 0.00 H new ATOM 0 HB1 ALA A 84 2.595 -3.050 -9.405 1.00 0.00 H new ATOM 0 HB2 ALA A 84 4.041 -4.046 -9.112 1.00 0.00 H new ATOM 0 HB3 ALA A 84 2.709 -4.043 -7.932 1.00 0.00 H new ATOM 1307 N GLY A 85 2.600 -1.635 -5.992 1.00 0.00 N ATOM 1308 CA GLY A 85 1.639 -0.841 -5.246 1.00 0.00 C ATOM 1309 C GLY A 85 2.213 0.536 -4.906 1.00 0.00 C ATOM 1310 O GLY A 85 1.555 1.555 -5.111 1.00 0.00 O ATOM 0 H GLY A 85 3.006 -2.413 -5.472 1.00 0.00 H new ATOM 0 HA2 GLY A 85 0.726 -0.724 -5.830 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.366 -1.362 -4.328 1.00 0.00 H new ATOM 1314 N LEU A 86 3.434 0.523 -4.392 1.00 0.00 N ATOM 1315 CA LEU A 86 4.104 1.758 -4.022 1.00 0.00 C ATOM 1316 C LEU A 86 4.240 2.649 -5.258 1.00 0.00 C ATOM 1317 O LEU A 86 3.966 3.847 -5.197 1.00 0.00 O ATOM 1318 CB LEU A 86 5.435 1.459 -3.329 1.00 0.00 C ATOM 1319 CG LEU A 86 5.353 1.107 -1.842 1.00 0.00 C ATOM 1320 CD1 LEU A 86 5.052 2.349 -1.001 1.00 0.00 C ATOM 1321 CD2 LEU A 86 4.338 -0.011 -1.598 1.00 0.00 C ATOM 0 H LEU A 86 3.977 -0.324 -4.223 1.00 0.00 H new ATOM 0 HA LEU A 86 3.510 2.311 -3.294 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.916 0.632 -3.852 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.084 2.328 -3.441 1.00 0.00 H new ATOM 0 HG LEU A 86 6.326 0.732 -1.525 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.999 2.071 0.052 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.843 3.085 -1.143 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.099 2.777 -1.312 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.300 -0.242 -0.533 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.353 0.312 -1.935 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.637 -0.901 -2.151 1.00 0.00 H new ATOM 1333 N SER A 87 4.664 2.031 -6.350 1.00 0.00 N ATOM 1334 CA SER A 87 4.840 2.753 -7.598 1.00 0.00 C ATOM 1335 C SER A 87 3.521 3.408 -8.015 1.00 0.00 C ATOM 1336 O SER A 87 3.466 4.618 -8.230 1.00 0.00 O ATOM 1337 CB SER A 87 5.345 1.825 -8.705 1.00 0.00 C ATOM 1338 OG SER A 87 6.622 2.224 -9.195 1.00 0.00 O ATOM 0 H SER A 87 4.891 1.038 -6.396 1.00 0.00 H new ATOM 0 HA SER A 87 5.590 3.529 -7.441 1.00 0.00 H new ATOM 0 HB2 SER A 87 5.405 0.806 -8.324 1.00 0.00 H new ATOM 0 HB3 SER A 87 4.628 1.817 -9.526 1.00 0.00 H new ATOM 0 HG SER A 87 6.910 1.606 -9.899 1.00 0.00 H new ATOM 1344 N LEU A 88 2.493 2.580 -8.116 1.00 0.00 N ATOM 1345 CA LEU A 88 1.178 3.063 -8.503 1.00 0.00 C ATOM 1346 C LEU A 88 0.805 4.264 -7.632 1.00 0.00 C ATOM 1347 O LEU A 88 0.237 5.239 -8.124 1.00 0.00 O ATOM 1348 CB LEU A 88 0.154 1.927 -8.455 1.00 0.00 C ATOM 1349 CG LEU A 88 -0.226 1.310 -9.803 1.00 0.00 C ATOM 1350 CD1 LEU A 88 -0.944 -0.027 -9.610 1.00 0.00 C ATOM 1351 CD2 LEU A 88 -1.051 2.288 -10.641 1.00 0.00 C ATOM 0 H LEU A 88 2.543 1.577 -7.937 1.00 0.00 H new ATOM 0 HA LEU A 88 1.188 3.408 -9.537 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.546 1.137 -7.814 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.753 2.302 -7.981 1.00 0.00 H new ATOM 0 HG LEU A 88 0.691 1.107 -10.356 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.203 -0.445 -10.583 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.289 -0.719 -9.081 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.853 0.129 -9.028 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.308 1.824 -11.594 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.965 2.546 -10.105 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.470 3.192 -10.822 1.00 0.00 H new ATOM 1363 N MET A 89 1.138 4.155 -6.355 1.00 0.00 N ATOM 1364 CA MET A 89 0.844 5.220 -5.411 1.00 0.00 C ATOM 1365 C MET A 89 1.530 6.524 -5.826 1.00 0.00 C ATOM 1366 O MET A 89 0.886 7.569 -5.907 1.00 0.00 O ATOM 1367 CB MET A 89 1.323 4.813 -4.016 1.00 0.00 C ATOM 1368 CG MET A 89 0.142 4.650 -3.057 1.00 0.00 C ATOM 1369 SD MET A 89 -0.233 2.919 -2.839 1.00 0.00 S ATOM 1370 CE MET A 89 -0.027 2.778 -1.071 1.00 0.00 C ATOM 0 H MET A 89 1.609 3.345 -5.951 1.00 0.00 H new ATOM 0 HA MET A 89 -0.233 5.384 -5.401 1.00 0.00 H new ATOM 0 HB2 MET A 89 1.878 3.877 -4.077 1.00 0.00 H new ATOM 0 HB3 MET A 89 2.009 5.566 -3.629 1.00 0.00 H new ATOM 0 HG2 MET A 89 0.379 5.103 -2.094 1.00 0.00 H new ATOM 0 HG3 MET A 89 -0.730 5.173 -3.449 1.00 0.00 H new ATOM 0 HE1 MET A 89 -0.225 1.752 -0.762 1.00 0.00 H new ATOM 0 HE2 MET A 89 0.994 3.047 -0.801 1.00 0.00 H new ATOM 0 HE3 MET A 89 -0.724 3.449 -0.569 1.00 0.00 H new ATOM 1380 N MET A 90 2.826 6.420 -6.078 1.00 0.00 N ATOM 1381 CA MET A 90 3.606 7.577 -6.482 1.00 0.00 C ATOM 1382 C MET A 90 2.984 8.257 -7.703 1.00 0.00 C ATOM 1383 O MET A 90 2.678 9.448 -7.667 1.00 0.00 O ATOM 1384 CB MET A 90 5.034 7.141 -6.812 1.00 0.00 C ATOM 1385 CG MET A 90 5.873 7.001 -5.540 1.00 0.00 C ATOM 1386 SD MET A 90 7.440 6.237 -5.922 1.00 0.00 S ATOM 1387 CE MET A 90 7.602 5.144 -4.521 1.00 0.00 C ATOM 0 H MET A 90 3.356 5.551 -6.010 1.00 0.00 H new ATOM 0 HA MET A 90 3.617 8.290 -5.658 1.00 0.00 H new ATOM 0 HB2 MET A 90 5.014 6.190 -7.345 1.00 0.00 H new ATOM 0 HB3 MET A 90 5.496 7.870 -7.478 1.00 0.00 H new ATOM 0 HG2 MET A 90 6.037 7.982 -5.093 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.336 6.401 -4.805 1.00 0.00 H new ATOM 0 HE1 MET A 90 8.535 4.586 -4.601 1.00 0.00 H new ATOM 0 HE2 MET A 90 7.607 5.729 -3.602 1.00 0.00 H new ATOM 0 HE3 MET A 90 6.763 4.448 -4.503 1.00 0.00 H new ATOM 1397 N ILE A 91 2.816 7.471 -8.757 1.00 0.00 N ATOM 1398 CA ILE A 91 2.236 7.983 -9.987 1.00 0.00 C ATOM 1399 C ILE A 91 0.927 8.706 -9.667 1.00 0.00 C ATOM 1400 O ILE A 91 0.750 9.868 -10.030 1.00 0.00 O ATOM 1401 CB ILE A 91 2.083 6.860 -11.014 1.00 0.00 C ATOM 1402 CG1 ILE A 91 3.445 6.282 -11.403 1.00 0.00 C ATOM 1403 CG2 ILE A 91 1.293 7.337 -12.235 1.00 0.00 C ATOM 1404 CD1 ILE A 91 3.314 4.827 -11.859 1.00 0.00 C ATOM 0 H ILE A 91 3.071 6.484 -8.784 1.00 0.00 H new ATOM 0 HA ILE A 91 2.900 8.715 -10.445 1.00 0.00 H new ATOM 0 HB ILE A 91 1.511 6.054 -10.555 1.00 0.00 H new ATOM 0 HG12 ILE A 91 3.882 6.879 -12.203 1.00 0.00 H new ATOM 0 HG13 ILE A 91 4.125 6.341 -10.553 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.199 6.519 -12.950 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.301 7.662 -11.922 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.816 8.170 -12.704 1.00 0.00 H new ATOM 0 HD11 ILE A 91 4.297 4.441 -12.130 1.00 0.00 H new ATOM 0 HD12 ILE A 91 2.899 4.228 -11.049 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.653 4.775 -12.724 1.00 0.00 H new ATOM 1416 N LEU A 92 0.042 7.989 -8.990 1.00 0.00 N ATOM 1417 CA LEU A 92 -1.246 8.548 -8.617 1.00 0.00 C ATOM 1418 C LEU A 92 -1.027 9.838 -7.823 1.00 0.00 C ATOM 1419 O LEU A 92 -1.856 10.745 -7.865 1.00 0.00 O ATOM 1420 CB LEU A 92 -2.088 7.507 -7.877 1.00 0.00 C ATOM 1421 CG LEU A 92 -3.526 7.332 -8.371 1.00 0.00 C ATOM 1422 CD1 LEU A 92 -3.551 6.853 -9.824 1.00 0.00 C ATOM 1423 CD2 LEU A 92 -4.315 6.403 -7.447 1.00 0.00 C ATOM 0 H LEU A 92 0.192 7.026 -8.690 1.00 0.00 H new ATOM 0 HA LEU A 92 -1.818 8.813 -9.506 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.582 6.544 -7.946 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.118 7.777 -6.821 1.00 0.00 H new ATOM 0 HG LEU A 92 -4.017 8.305 -8.344 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -4.584 6.736 -10.151 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.050 7.585 -10.457 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.036 5.895 -9.900 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -5.333 6.296 -7.821 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.835 5.425 -7.418 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.340 6.825 -6.442 1.00 0.00 H new ATOM 1435 N ARG A 93 0.094 9.878 -7.118 1.00 0.00 N ATOM 1436 CA ARG A 93 0.433 11.041 -6.316 1.00 0.00 C ATOM 1437 C ARG A 93 0.851 12.204 -7.218 1.00 0.00 C ATOM 1438 O ARG A 93 0.613 13.365 -6.890 1.00 0.00 O ATOM 1439 CB ARG A 93 1.569 10.726 -5.342 1.00 0.00 C ATOM 1440 CG ARG A 93 1.111 10.894 -3.892 1.00 0.00 C ATOM 1441 CD ARG A 93 0.099 9.812 -3.508 1.00 0.00 C ATOM 1442 NE ARG A 93 -0.285 9.959 -2.086 1.00 0.00 N ATOM 1443 CZ ARG A 93 -1.200 9.197 -1.472 1.00 0.00 C ATOM 1444 NH1 ARG A 93 -1.830 8.229 -2.151 1.00 0.00 N ATOM 1445 NH2 ARG A 93 -1.484 9.402 -0.179 1.00 0.00 N ATOM 0 H ARG A 93 0.779 9.123 -7.086 1.00 0.00 H new ATOM 0 HA ARG A 93 -0.453 11.320 -5.745 1.00 0.00 H new ATOM 0 HB2 ARG A 93 1.917 9.705 -5.501 1.00 0.00 H new ATOM 0 HB3 ARG A 93 2.415 11.385 -5.539 1.00 0.00 H new ATOM 0 HG2 ARG A 93 1.973 10.844 -3.226 1.00 0.00 H new ATOM 0 HG3 ARG A 93 0.663 11.879 -3.760 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -0.785 9.888 -4.141 1.00 0.00 H new ATOM 0 HD3 ARG A 93 0.528 8.825 -3.677 1.00 0.00 H new ATOM 0 HE ARG A 93 0.176 10.686 -1.539 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -1.613 8.072 -3.135 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -2.527 7.649 -1.684 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -1.004 10.138 0.338 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -2.181 8.822 0.288 1.00 0.00 H new ATOM 1459 N LEU A 94 1.467 11.851 -8.337 1.00 0.00 N ATOM 1460 CA LEU A 94 1.921 12.851 -9.289 1.00 0.00 C ATOM 1461 C LEU A 94 0.728 13.695 -9.742 1.00 0.00 C ATOM 1462 O LEU A 94 0.821 14.920 -9.812 1.00 0.00 O ATOM 1463 CB LEU A 94 2.679 12.189 -10.441 1.00 0.00 C ATOM 1464 CG LEU A 94 4.140 12.611 -10.612 1.00 0.00 C ATOM 1465 CD1 LEU A 94 5.070 11.397 -10.574 1.00 0.00 C ATOM 1466 CD2 LEU A 94 4.326 13.435 -11.888 1.00 0.00 C ATOM 0 H LEU A 94 1.662 10.887 -8.606 1.00 0.00 H new ATOM 0 HA LEU A 94 2.633 13.530 -8.819 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.648 11.109 -10.297 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.149 12.403 -11.369 1.00 0.00 H new ATOM 0 HG LEU A 94 4.411 13.251 -9.772 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.102 11.725 -10.698 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.964 10.887 -9.616 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.808 10.712 -11.381 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.373 13.722 -11.986 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.031 12.840 -12.752 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.707 14.331 -11.836 1.00 0.00 H new ATOM 1478 N VAL A 95 -0.364 13.007 -10.039 1.00 0.00 N ATOM 1479 CA VAL A 95 -1.574 13.678 -10.484 1.00 0.00 C ATOM 1480 C VAL A 95 -2.288 14.287 -9.276 1.00 0.00 C ATOM 1481 O VAL A 95 -2.874 15.364 -9.374 1.00 0.00 O ATOM 1482 CB VAL A 95 -2.453 12.704 -11.271 1.00 0.00 C ATOM 1483 CG1 VAL A 95 -3.841 13.298 -11.521 1.00 0.00 C ATOM 1484 CG2 VAL A 95 -1.784 12.301 -12.586 1.00 0.00 C ATOM 0 H VAL A 95 -0.437 11.991 -9.980 1.00 0.00 H new ATOM 0 HA VAL A 95 -1.330 14.495 -11.163 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.577 11.804 -10.669 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.446 12.586 -12.082 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.323 13.511 -10.567 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.744 14.221 -12.092 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.430 11.608 -13.126 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.615 13.189 -13.195 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.830 11.818 -12.376 1.00 0.00 H new ATOM 1494 N LEU A 96 -2.216 13.571 -8.164 1.00 0.00 N ATOM 1495 CA LEU A 96 -2.849 14.027 -6.938 1.00 0.00 C ATOM 1496 C LEU A 96 -2.467 15.486 -6.684 1.00 0.00 C ATOM 1497 O LEU A 96 -3.324 16.311 -6.371 1.00 0.00 O ATOM 1498 CB LEU A 96 -2.506 13.091 -5.777 1.00 0.00 C ATOM 1499 CG LEU A 96 -3.601 12.895 -4.727 1.00 0.00 C ATOM 1500 CD1 LEU A 96 -3.905 14.206 -4.001 1.00 0.00 C ATOM 1501 CD2 LEU A 96 -4.855 12.281 -5.351 1.00 0.00 C ATOM 0 H LEU A 96 -1.729 12.678 -8.086 1.00 0.00 H new ATOM 0 HA LEU A 96 -3.934 13.993 -7.035 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.245 12.116 -6.188 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.616 13.475 -5.278 1.00 0.00 H new ATOM 0 HG LEU A 96 -3.236 12.191 -3.980 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.687 14.039 -3.260 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -3.004 14.564 -3.503 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -4.242 14.951 -4.722 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -5.618 12.152 -4.583 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -5.234 12.941 -6.131 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -4.609 11.311 -5.784 1.00 0.00 H new ATOM 1513 N LEU A 97 -1.179 15.761 -6.829 1.00 0.00 N ATOM 1514 CA LEU A 97 -0.673 17.107 -6.620 1.00 0.00 C ATOM 1515 C LEU A 97 -1.657 18.116 -7.215 1.00 0.00 C ATOM 1516 O LEU A 97 -2.133 19.010 -6.518 1.00 0.00 O ATOM 1517 CB LEU A 97 0.749 17.237 -7.171 1.00 0.00 C ATOM 1518 CG LEU A 97 1.600 18.359 -6.574 1.00 0.00 C ATOM 1519 CD1 LEU A 97 2.925 17.816 -6.036 1.00 0.00 C ATOM 1520 CD2 LEU A 97 1.811 19.486 -7.587 1.00 0.00 C ATOM 0 H LEU A 97 -0.471 15.075 -7.089 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.599 17.324 -5.554 1.00 0.00 H new ATOM 0 HB2 LEU A 97 1.267 16.291 -7.012 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.687 17.389 -8.249 1.00 0.00 H new ATOM 0 HG LEU A 97 1.060 18.784 -5.728 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.510 18.635 -5.617 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.727 17.077 -5.259 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.483 17.349 -6.847 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.419 20.271 -7.137 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.319 19.093 -8.468 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.845 19.898 -7.879 1.00 0.00 H new ATOM 1532 N LEU A 98 -1.934 17.938 -8.499 1.00 0.00 N ATOM 1533 CA LEU A 98 -2.853 18.822 -9.196 1.00 0.00 C ATOM 1534 C LEU A 98 -4.173 18.887 -8.426 1.00 0.00 C ATOM 1535 O LEU A 98 -4.641 19.970 -8.080 1.00 0.00 O ATOM 1536 CB LEU A 98 -3.012 18.387 -10.654 1.00 0.00 C ATOM 1537 CG LEU A 98 -3.059 19.513 -11.689 1.00 0.00 C ATOM 1538 CD1 LEU A 98 -4.243 20.447 -11.429 1.00 0.00 C ATOM 1539 CD2 LEU A 98 -1.731 20.271 -11.735 1.00 0.00 C ATOM 0 H LEU A 98 -1.538 17.195 -9.074 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.454 19.836 -9.232 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.185 17.723 -10.906 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.928 17.803 -10.740 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.210 19.067 -12.672 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.254 21.238 -12.178 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.173 19.881 -11.486 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.147 20.888 -10.437 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.791 21.066 -12.479 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.525 20.705 -10.756 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.929 19.584 -12.003 1.00 0.00 H new ATOM 1551 N LEU A 99 -4.737 17.713 -8.181 1.00 0.00 N ATOM 1552 CA LEU A 99 -5.994 17.623 -7.459 1.00 0.00 C ATOM 1553 C LEU A 99 -5.966 18.588 -6.271 1.00 0.00 C ATOM 1554 O LEU A 99 -7.013 19.003 -5.779 1.00 0.00 O ATOM 1555 CB LEU A 99 -6.284 16.173 -7.066 1.00 0.00 C ATOM 1556 CG LEU A 99 -7.474 15.514 -7.766 1.00 0.00 C ATOM 1557 CD1 LEU A 99 -7.050 14.888 -9.097 1.00 0.00 C ATOM 1558 CD2 LEU A 99 -8.158 14.499 -6.848 1.00 0.00 C ATOM 0 H LEU A 99 -4.346 16.816 -8.470 1.00 0.00 H new ATOM 0 HA LEU A 99 -6.822 17.928 -8.098 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.394 15.578 -7.268 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -6.455 16.136 -5.990 1.00 0.00 H new ATOM 0 HG LEU A 99 -8.207 16.288 -7.993 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -7.915 14.426 -9.574 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -6.645 15.661 -9.750 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -6.288 14.130 -8.916 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -9.000 14.046 -7.371 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -7.445 13.724 -6.568 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -8.517 15.004 -5.951 1.00 0.00 H new