USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 713 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 97 GLN : amide:sc= -0.369 X(o=-1.2,f=-0.82) USER MOD Set 1.2: A 101 MET CE :methyl 144:sc= -0.88 (180deg=-0.422) USER MOD Set 2.1: A 89 LYS NZ :NH3+ -155:sc= -0.961 (180deg=-0.169) USER MOD Set 2.2: A 92 MET CE :methyl 173:sc= -0.258 (180deg=-0.131) USER MOD Set 3.1: A 39 GLN : amide:sc= 1.01 K(o=1.5,f=-4.1!) USER MOD Set 3.2: A 41 TYR OH : rot -44:sc= 0.463 USER MOD Set 4.1: A 33 TYR OH : rot -15:sc= -0.698 USER MOD Set 4.2: A 38 CYS SG : rot -41:sc= 0.00559 USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 159:sc= -0.921 (180deg=-1.64) USER MOD Single : A 27 LYS NZ :NH3+ -141:sc= -0.486 (180deg=-2.18!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 94:sc= 1.06 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 176:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 CYS SG : rot 26:sc= 0.0753 USER MOD Single : A 65 LYS NZ :NH3+ 157:sc= 0.0854 (180deg=-0.461) USER MOD Single : A 76 LYS NZ :NH3+ 148:sc= -0.31 (180deg=-1.17) USER MOD Single : A 77 THR OG1 : rot -66:sc= 0.81 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.542 USER MOD Single : A 85 LYS NZ :NH3+ 178:sc= 0.194 (180deg=0.193) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.0998 K(o=-0.1,f=-1.4!) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN :FLIP amide:sc= -0.8 F(o=-1.9!,f=-0.8) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 168:sc=0.000228 (180deg=0) USER MOD Single : A 107 HIS : no HE2:sc= -1.37 X(o=-1.4,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 110 N LEU A 10 -3.590 6.354 6.006 1.00 0.00 N ATOM 111 CA LEU A 10 -2.976 5.031 6.041 1.00 0.00 C ATOM 112 C LEU A 10 -1.495 5.108 5.685 1.00 0.00 C ATOM 113 O LEU A 10 -1.135 5.299 4.523 1.00 0.00 O ATOM 114 CB LEU A 10 -3.696 4.088 5.076 1.00 0.00 C ATOM 115 CG LEU A 10 -2.948 2.807 4.705 1.00 0.00 C ATOM 116 CD1 LEU A 10 -2.936 1.837 5.876 1.00 0.00 C ATOM 117 CD2 LEU A 10 -3.574 2.159 3.479 1.00 0.00 C ATOM 0 HA LEU A 10 -3.067 4.642 7.055 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.653 3.811 5.517 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.914 4.636 4.159 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.917 3.068 4.466 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.399 0.931 5.593 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.440 2.301 6.728 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.960 1.582 6.148 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.028 1.249 3.230 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.615 1.912 3.689 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.528 2.851 2.638 1.00 0.00 H new ATOM 129 N CYS A 11 -0.641 4.956 6.691 1.00 0.00 N ATOM 130 CA CYS A 11 0.802 5.007 6.484 1.00 0.00 C ATOM 131 C CYS A 11 1.516 4.007 7.387 1.00 0.00 C ATOM 132 O CYS A 11 0.938 3.498 8.346 1.00 0.00 O ATOM 133 CB CYS A 11 1.326 6.419 6.750 1.00 0.00 C ATOM 134 SG CYS A 11 1.143 6.964 8.464 1.00 0.00 S ATOM 0 H CYS A 11 -0.923 4.796 7.658 1.00 0.00 H new ATOM 0 HA CYS A 11 1.006 4.741 5.447 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.381 6.461 6.477 1.00 0.00 H new ATOM 0 HB3 CYS A 11 0.801 7.118 6.100 1.00 0.00 H new ATOM 0 HG CYS A 11 1.617 8.168 8.589 1.00 0.00 H new ATOM 140 N GLY A 12 2.778 3.730 7.072 1.00 0.00 N ATOM 141 CA GLY A 12 3.550 2.791 7.864 1.00 0.00 C ATOM 142 C GLY A 12 4.833 2.368 7.175 1.00 0.00 C ATOM 143 O GLY A 12 4.931 2.417 5.948 1.00 0.00 O ATOM 0 H GLY A 12 3.279 4.139 6.283 1.00 0.00 H new ATOM 0 HA2 GLY A 12 3.790 3.243 8.826 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.944 1.909 8.069 1.00 0.00 H new ATOM 147 N TYR A 13 5.818 1.955 7.964 1.00 0.00 N ATOM 148 CA TYR A 13 7.102 1.526 7.422 1.00 0.00 C ATOM 149 C TYR A 13 7.046 0.069 6.975 1.00 0.00 C ATOM 150 O TYR A 13 6.500 -0.787 7.674 1.00 0.00 O ATOM 151 CB TYR A 13 8.206 1.710 8.465 1.00 0.00 C ATOM 152 CG TYR A 13 8.799 3.100 8.480 1.00 0.00 C ATOM 153 CD1 TYR A 13 9.796 3.462 7.582 1.00 0.00 C ATOM 154 CD2 TYR A 13 8.362 4.053 9.393 1.00 0.00 C ATOM 155 CE1 TYR A 13 10.341 4.731 7.594 1.00 0.00 C ATOM 156 CE2 TYR A 13 8.901 5.325 9.410 1.00 0.00 C ATOM 157 CZ TYR A 13 9.891 5.659 8.509 1.00 0.00 C ATOM 158 OH TYR A 13 10.430 6.925 8.523 1.00 0.00 O ATOM 0 H TYR A 13 5.752 1.908 8.981 1.00 0.00 H new ATOM 0 HA TYR A 13 7.326 2.144 6.553 1.00 0.00 H new ATOM 0 HB2 TYR A 13 7.802 1.486 9.452 1.00 0.00 H new ATOM 0 HB3 TYR A 13 8.999 0.988 8.273 1.00 0.00 H new ATOM 0 HD1 TYR A 13 10.151 2.739 6.863 1.00 0.00 H new ATOM 0 HD2 TYR A 13 7.588 3.795 10.101 1.00 0.00 H new ATOM 0 HE1 TYR A 13 11.116 4.995 6.890 1.00 0.00 H new ATOM 0 HE2 TYR A 13 8.549 6.054 10.125 1.00 0.00 H new ATOM 0 HH TYR A 13 10.002 7.455 9.227 1.00 0.00 H new ATOM 168 N LEU A 14 7.615 -0.208 5.807 1.00 0.00 N ATOM 169 CA LEU A 14 7.632 -1.562 5.265 1.00 0.00 C ATOM 170 C LEU A 14 9.005 -1.904 4.697 1.00 0.00 C ATOM 171 O LEU A 14 9.914 -1.074 4.700 1.00 0.00 O ATOM 172 CB LEU A 14 6.566 -1.711 4.178 1.00 0.00 C ATOM 173 CG LEU A 14 5.115 -1.739 4.660 1.00 0.00 C ATOM 174 CD1 LEU A 14 4.170 -1.986 3.494 1.00 0.00 C ATOM 175 CD2 LEU A 14 4.930 -2.802 5.733 1.00 0.00 C ATOM 0 H LEU A 14 8.071 0.488 5.217 1.00 0.00 H new ATOM 0 HA LEU A 14 7.413 -2.255 6.078 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.678 -0.888 3.472 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.763 -2.631 3.628 1.00 0.00 H new ATOM 0 HG LEU A 14 4.878 -0.768 5.094 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.142 -2.003 3.856 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.283 -1.189 2.759 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.407 -2.944 3.030 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.892 -2.808 6.064 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.186 -3.780 5.325 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.580 -2.581 6.580 1.00 0.00 H new ATOM 187 N SER A 15 9.149 -3.132 4.209 1.00 0.00 N ATOM 188 CA SER A 15 10.412 -3.585 3.639 1.00 0.00 C ATOM 189 C SER A 15 10.251 -3.920 2.159 1.00 0.00 C ATOM 190 O SER A 15 9.618 -4.913 1.800 1.00 0.00 O ATOM 191 CB SER A 15 10.928 -4.810 4.397 1.00 0.00 C ATOM 192 OG SER A 15 11.755 -4.426 5.482 1.00 0.00 O ATOM 0 H SER A 15 8.406 -3.831 4.197 1.00 0.00 H new ATOM 0 HA SER A 15 11.136 -2.776 3.734 1.00 0.00 H new ATOM 0 HB2 SER A 15 10.086 -5.395 4.767 1.00 0.00 H new ATOM 0 HB3 SER A 15 11.488 -5.453 3.718 1.00 0.00 H new ATOM 0 HG SER A 15 12.071 -5.226 5.952 1.00 0.00 H new ATOM 198 N LYS A 16 10.829 -3.083 1.304 1.00 0.00 N ATOM 199 CA LYS A 16 10.752 -3.289 -0.138 1.00 0.00 C ATOM 200 C LYS A 16 11.735 -4.365 -0.587 1.00 0.00 C ATOM 201 O LYS A 16 12.945 -4.140 -0.620 1.00 0.00 O ATOM 202 CB LYS A 16 11.040 -1.979 -0.876 1.00 0.00 C ATOM 203 CG LYS A 16 10.900 -2.088 -2.385 1.00 0.00 C ATOM 204 CD LYS A 16 9.484 -1.771 -2.837 1.00 0.00 C ATOM 205 CE LYS A 16 9.181 -2.390 -4.193 1.00 0.00 C ATOM 206 NZ LYS A 16 9.056 -3.872 -4.110 1.00 0.00 N ATOM 0 H LYS A 16 11.356 -2.256 1.584 1.00 0.00 H new ATOM 0 HA LYS A 16 9.742 -3.621 -0.380 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.360 -1.209 -0.511 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.051 -1.651 -0.636 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.599 -1.404 -2.867 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.168 -3.095 -2.705 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.773 -2.143 -2.099 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.351 -0.690 -2.891 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.256 -1.969 -4.586 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.973 -2.131 -4.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.517 -4.221 -4.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.003 -4.301 -4.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.560 -4.130 -3.233 1.00 0.00 H new ATOM 220 N PHE A 17 11.207 -5.534 -0.935 1.00 0.00 N ATOM 221 CA PHE A 17 12.039 -6.645 -1.383 1.00 0.00 C ATOM 222 C PHE A 17 12.541 -6.410 -2.804 1.00 0.00 C ATOM 223 O PHE A 17 11.996 -5.587 -3.539 1.00 0.00 O ATOM 224 CB PHE A 17 11.253 -7.956 -1.318 1.00 0.00 C ATOM 225 CG PHE A 17 12.060 -9.159 -1.714 1.00 0.00 C ATOM 226 CD1 PHE A 17 13.229 -9.477 -1.041 1.00 0.00 C ATOM 227 CD2 PHE A 17 11.650 -9.973 -2.758 1.00 0.00 C ATOM 228 CE1 PHE A 17 13.974 -10.583 -1.404 1.00 0.00 C ATOM 229 CE2 PHE A 17 12.391 -11.081 -3.124 1.00 0.00 C ATOM 230 CZ PHE A 17 13.554 -11.387 -2.446 1.00 0.00 C ATOM 0 H PHE A 17 10.207 -5.736 -0.915 1.00 0.00 H new ATOM 0 HA PHE A 17 12.901 -6.712 -0.719 1.00 0.00 H new ATOM 0 HB2 PHE A 17 10.880 -8.097 -0.304 1.00 0.00 H new ATOM 0 HB3 PHE A 17 10.383 -7.881 -1.970 1.00 0.00 H new ATOM 0 HD1 PHE A 17 13.561 -8.854 -0.224 1.00 0.00 H new ATOM 0 HD2 PHE A 17 10.741 -9.739 -3.292 1.00 0.00 H new ATOM 0 HE1 PHE A 17 14.884 -10.819 -0.873 1.00 0.00 H new ATOM 0 HE2 PHE A 17 12.060 -11.707 -3.940 1.00 0.00 H new ATOM 0 HZ PHE A 17 14.134 -12.253 -2.729 1.00 0.00 H new ATOM 347 N TRP A 26 15.425 -8.012 1.544 1.00 0.00 N ATOM 348 CA TRP A 26 14.514 -6.982 2.033 1.00 0.00 C ATOM 349 C TRP A 26 15.278 -5.724 2.429 1.00 0.00 C ATOM 350 O TRP A 26 16.414 -5.796 2.898 1.00 0.00 O ATOM 351 CB TRP A 26 13.713 -7.505 3.226 1.00 0.00 C ATOM 352 CG TRP A 26 12.938 -8.751 2.922 1.00 0.00 C ATOM 353 CD1 TRP A 26 13.361 -10.040 3.081 1.00 0.00 C ATOM 354 CD2 TRP A 26 11.606 -8.826 2.403 1.00 0.00 C ATOM 355 NE1 TRP A 26 12.372 -10.911 2.693 1.00 0.00 N ATOM 356 CE2 TRP A 26 11.285 -10.192 2.274 1.00 0.00 C ATOM 357 CE3 TRP A 26 10.652 -7.873 2.037 1.00 0.00 C ATOM 358 CZ2 TRP A 26 10.052 -10.624 1.794 1.00 0.00 C ATOM 359 CZ3 TRP A 26 9.428 -8.304 1.560 1.00 0.00 C ATOM 360 CH2 TRP A 26 9.137 -9.669 1.443 1.00 0.00 C ATOM 0 HA TRP A 26 13.826 -6.728 1.227 1.00 0.00 H new ATOM 0 HB2 TRP A 26 14.395 -7.703 4.053 1.00 0.00 H new ATOM 0 HB3 TRP A 26 13.024 -6.729 3.559 1.00 0.00 H new ATOM 0 HD1 TRP A 26 14.331 -10.332 3.457 1.00 0.00 H new ATOM 0 HE1 TRP A 26 12.437 -11.929 2.714 1.00 0.00 H new ATOM 0 HE3 TRP A 26 10.867 -6.818 2.125 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 9.825 -11.676 1.702 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 8.684 -7.576 1.273 1.00 0.00 H new ATOM 0 HH2 TRP A 26 8.171 -9.974 1.068 1.00 0.00 H new ATOM 371 N LYS A 27 14.648 -4.570 2.238 1.00 0.00 N ATOM 372 CA LYS A 27 15.267 -3.294 2.577 1.00 0.00 C ATOM 373 C LYS A 27 14.262 -2.362 3.247 1.00 0.00 C ATOM 374 O LYS A 27 13.136 -2.206 2.776 1.00 0.00 O ATOM 375 CB LYS A 27 15.835 -2.630 1.320 1.00 0.00 C ATOM 376 CG LYS A 27 17.074 -3.318 0.775 1.00 0.00 C ATOM 377 CD LYS A 27 17.735 -2.494 -0.317 1.00 0.00 C ATOM 378 CE LYS A 27 18.601 -1.389 0.267 1.00 0.00 C ATOM 379 NZ LYS A 27 17.821 -0.145 0.516 1.00 0.00 N ATOM 0 H LYS A 27 13.708 -4.492 1.850 1.00 0.00 H new ATOM 0 HA LYS A 27 16.079 -3.487 3.278 1.00 0.00 H new ATOM 0 HB2 LYS A 27 15.067 -2.618 0.547 1.00 0.00 H new ATOM 0 HB3 LYS A 27 16.076 -1.591 1.546 1.00 0.00 H new ATOM 0 HG2 LYS A 27 17.784 -3.486 1.585 1.00 0.00 H new ATOM 0 HG3 LYS A 27 16.803 -4.297 0.380 1.00 0.00 H new ATOM 0 HD2 LYS A 27 18.345 -3.143 -0.945 1.00 0.00 H new ATOM 0 HD3 LYS A 27 16.970 -2.057 -0.959 1.00 0.00 H new ATOM 0 HE2 LYS A 27 19.046 -1.732 1.201 1.00 0.00 H new ATOM 0 HE3 LYS A 27 19.422 -1.172 -0.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 18.400 0.683 0.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 16.960 -0.152 -0.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 17.558 -0.096 1.521 1.00 0.00 H new ATOM 393 N SER A 28 14.678 -1.745 4.348 1.00 0.00 N ATOM 394 CA SER A 28 13.813 -0.830 5.084 1.00 0.00 C ATOM 395 C SER A 28 13.399 0.349 4.209 1.00 0.00 C ATOM 396 O SER A 28 14.244 1.080 3.693 1.00 0.00 O ATOM 397 CB SER A 28 14.524 -0.323 6.341 1.00 0.00 C ATOM 398 OG SER A 28 14.359 -1.226 7.420 1.00 0.00 O ATOM 0 H SER A 28 15.608 -1.862 4.750 1.00 0.00 H new ATOM 0 HA SER A 28 12.915 -1.374 5.377 1.00 0.00 H new ATOM 0 HB2 SER A 28 15.586 -0.190 6.133 1.00 0.00 H new ATOM 0 HB3 SER A 28 14.128 0.654 6.617 1.00 0.00 H new ATOM 0 HG SER A 28 14.824 -0.880 8.210 1.00 0.00 H new ATOM 404 N ARG A 29 12.092 0.526 4.047 1.00 0.00 N ATOM 405 CA ARG A 29 11.564 1.615 3.233 1.00 0.00 C ATOM 406 C ARG A 29 10.305 2.203 3.863 1.00 0.00 C ATOM 407 O ARG A 29 9.599 1.526 4.611 1.00 0.00 O ATOM 408 CB ARG A 29 11.256 1.121 1.819 1.00 0.00 C ATOM 409 CG ARG A 29 12.462 1.134 0.893 1.00 0.00 C ATOM 410 CD ARG A 29 12.770 2.540 0.401 1.00 0.00 C ATOM 411 NE ARG A 29 14.100 2.632 -0.195 1.00 0.00 N ATOM 412 CZ ARG A 29 15.211 2.812 0.512 1.00 0.00 C ATOM 413 NH1 ARG A 29 15.151 2.917 1.832 1.00 0.00 N ATOM 414 NH2 ARG A 29 16.385 2.885 -0.102 1.00 0.00 N ATOM 0 H ARG A 29 11.379 -0.070 4.468 1.00 0.00 H new ATOM 0 HA ARG A 29 12.323 2.396 3.180 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.863 0.106 1.875 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.471 1.743 1.389 1.00 0.00 H new ATOM 0 HG2 ARG A 29 13.329 0.732 1.417 1.00 0.00 H new ATOM 0 HG3 ARG A 29 12.275 0.482 0.040 1.00 0.00 H new ATOM 0 HD2 ARG A 29 12.022 2.839 -0.333 1.00 0.00 H new ATOM 0 HD3 ARG A 29 12.697 3.240 1.234 1.00 0.00 H new ATOM 0 HE ARG A 29 14.181 2.554 -1.209 1.00 0.00 H new ATOM 0 HH11 ARG A 29 14.251 2.860 2.308 1.00 0.00 H new ATOM 0 HH12 ARG A 29 16.005 3.055 2.372 1.00 0.00 H new ATOM 0 HH21 ARG A 29 16.435 2.803 -1.117 1.00 0.00 H new ATOM 0 HH22 ARG A 29 17.237 3.023 0.441 1.00 0.00 H new ATOM 428 N TRP A 30 10.030 3.466 3.556 1.00 0.00 N ATOM 429 CA TRP A 30 8.856 4.145 4.093 1.00 0.00 C ATOM 430 C TRP A 30 7.731 4.181 3.065 1.00 0.00 C ATOM 431 O TRP A 30 7.928 4.617 1.930 1.00 0.00 O ATOM 432 CB TRP A 30 9.217 5.568 4.523 1.00 0.00 C ATOM 433 CG TRP A 30 8.022 6.451 4.714 1.00 0.00 C ATOM 434 CD1 TRP A 30 7.665 7.525 3.948 1.00 0.00 C ATOM 435 CD2 TRP A 30 7.027 6.338 5.738 1.00 0.00 C ATOM 436 NE1 TRP A 30 6.509 8.086 4.435 1.00 0.00 N ATOM 437 CE2 TRP A 30 6.097 7.376 5.531 1.00 0.00 C ATOM 438 CE3 TRP A 30 6.831 5.461 6.807 1.00 0.00 C ATOM 439 CZ2 TRP A 30 4.990 7.558 6.356 1.00 0.00 C ATOM 440 CZ3 TRP A 30 5.732 5.643 7.625 1.00 0.00 C ATOM 441 CH2 TRP A 30 4.823 6.684 7.396 1.00 0.00 C ATOM 0 H TRP A 30 10.604 4.040 2.938 1.00 0.00 H new ATOM 0 HA TRP A 30 8.510 3.587 4.963 1.00 0.00 H new ATOM 0 HB2 TRP A 30 9.782 5.526 5.454 1.00 0.00 H new ATOM 0 HB3 TRP A 30 9.872 6.012 3.773 1.00 0.00 H new ATOM 0 HD1 TRP A 30 8.211 7.880 3.087 1.00 0.00 H new ATOM 0 HE1 TRP A 30 6.035 8.900 4.043 1.00 0.00 H new ATOM 0 HE3 TRP A 30 7.526 4.655 6.991 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.288 8.360 6.181 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 5.571 4.971 8.455 1.00 0.00 H new ATOM 0 HH2 TRP A 30 3.974 6.799 8.053 1.00 0.00 H new ATOM 452 N PHE A 31 6.551 3.722 3.468 1.00 0.00 N ATOM 453 CA PHE A 31 5.395 3.701 2.581 1.00 0.00 C ATOM 454 C PHE A 31 4.269 4.569 3.135 1.00 0.00 C ATOM 455 O PHE A 31 4.093 4.677 4.349 1.00 0.00 O ATOM 456 CB PHE A 31 4.900 2.266 2.386 1.00 0.00 C ATOM 457 CG PHE A 31 5.820 1.423 1.551 1.00 0.00 C ATOM 458 CD1 PHE A 31 7.041 1.001 2.053 1.00 0.00 C ATOM 459 CD2 PHE A 31 5.464 1.051 0.264 1.00 0.00 C ATOM 460 CE1 PHE A 31 7.890 0.225 1.286 1.00 0.00 C ATOM 461 CE2 PHE A 31 6.309 0.275 -0.507 1.00 0.00 C ATOM 462 CZ PHE A 31 7.523 -0.139 0.005 1.00 0.00 C ATOM 0 H PHE A 31 6.371 3.359 4.404 1.00 0.00 H new ATOM 0 HA PHE A 31 5.701 4.106 1.616 1.00 0.00 H new ATOM 0 HB2 PHE A 31 4.776 1.797 3.362 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.916 2.290 1.917 1.00 0.00 H new ATOM 0 HD1 PHE A 31 7.332 1.281 3.054 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.515 1.371 -0.141 1.00 0.00 H new ATOM 0 HE1 PHE A 31 8.839 -0.096 1.688 1.00 0.00 H new ATOM 0 HE2 PHE A 31 6.020 -0.007 -1.509 1.00 0.00 H new ATOM 0 HZ PHE A 31 8.184 -0.746 -0.595 1.00 0.00 H new ATOM 472 N PHE A 32 3.508 5.186 2.236 1.00 0.00 N ATOM 473 CA PHE A 32 2.400 6.046 2.634 1.00 0.00 C ATOM 474 C PHE A 32 1.392 6.195 1.498 1.00 0.00 C ATOM 475 O PHE A 32 1.761 6.498 0.363 1.00 0.00 O ATOM 476 CB PHE A 32 2.920 7.423 3.054 1.00 0.00 C ATOM 477 CG PHE A 32 3.383 8.266 1.901 1.00 0.00 C ATOM 478 CD1 PHE A 32 2.468 8.934 1.102 1.00 0.00 C ATOM 479 CD2 PHE A 32 4.733 8.390 1.614 1.00 0.00 C ATOM 480 CE1 PHE A 32 2.891 9.711 0.040 1.00 0.00 C ATOM 481 CE2 PHE A 32 5.162 9.166 0.554 1.00 0.00 C ATOM 482 CZ PHE A 32 4.240 9.826 -0.235 1.00 0.00 C ATOM 0 H PHE A 32 3.639 5.106 1.228 1.00 0.00 H new ATOM 0 HA PHE A 32 1.898 5.581 3.483 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.131 7.953 3.588 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.746 7.293 3.753 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.412 8.846 1.312 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.458 7.874 2.226 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.168 10.227 -0.574 1.00 0.00 H new ATOM 0 HE2 PHE A 32 6.217 9.256 0.343 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.573 10.431 -1.065 1.00 0.00 H new ATOM 492 N TYR A 33 0.120 5.981 1.812 1.00 0.00 N ATOM 493 CA TYR A 33 -0.942 6.088 0.818 1.00 0.00 C ATOM 494 C TYR A 33 -1.323 7.546 0.584 1.00 0.00 C ATOM 495 O TYR A 33 -1.190 8.385 1.474 1.00 0.00 O ATOM 496 CB TYR A 33 -2.170 5.293 1.265 1.00 0.00 C ATOM 497 CG TYR A 33 -3.435 5.668 0.526 1.00 0.00 C ATOM 498 CD1 TYR A 33 -4.136 6.823 0.852 1.00 0.00 C ATOM 499 CD2 TYR A 33 -3.930 4.867 -0.495 1.00 0.00 C ATOM 500 CE1 TYR A 33 -5.293 7.169 0.180 1.00 0.00 C ATOM 501 CE2 TYR A 33 -5.085 5.206 -1.173 1.00 0.00 C ATOM 502 CZ TYR A 33 -5.763 6.358 -0.832 1.00 0.00 C ATOM 503 OH TYR A 33 -6.914 6.698 -1.503 1.00 0.00 O ATOM 0 H TYR A 33 -0.202 5.732 2.747 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.571 5.673 -0.119 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -1.977 4.230 1.121 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.324 5.447 2.333 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.771 7.461 1.643 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.403 3.963 -0.764 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -5.826 8.070 0.446 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.455 4.573 -1.966 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.396 7.386 -0.998 1.00 0.00 H new ATOM 513 N ASP A 34 -1.798 7.840 -0.622 1.00 0.00 N ATOM 514 CA ASP A 34 -2.202 9.196 -0.975 1.00 0.00 C ATOM 515 C ASP A 34 -3.707 9.271 -1.212 1.00 0.00 C ATOM 516 O ASP A 34 -4.260 8.498 -1.994 1.00 0.00 O ATOM 517 CB ASP A 34 -1.452 9.665 -2.223 1.00 0.00 C ATOM 518 CG ASP A 34 -1.389 11.176 -2.326 1.00 0.00 C ATOM 519 OD1 ASP A 34 -1.480 11.847 -1.277 1.00 0.00 O ATOM 520 OD2 ASP A 34 -1.249 11.689 -3.457 1.00 0.00 O ATOM 0 H ASP A 34 -1.913 7.157 -1.371 1.00 0.00 H new ATOM 0 HA ASP A 34 -1.951 9.852 -0.142 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -0.439 9.262 -2.208 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.942 9.263 -3.110 1.00 0.00 H new ATOM 525 N GLU A 35 -4.362 10.206 -0.532 1.00 0.00 N ATOM 526 CA GLU A 35 -5.804 10.380 -0.669 1.00 0.00 C ATOM 527 C GLU A 35 -6.127 11.426 -1.732 1.00 0.00 C ATOM 528 O GLU A 35 -7.181 12.062 -1.691 1.00 0.00 O ATOM 529 CB GLU A 35 -6.419 10.790 0.671 1.00 0.00 C ATOM 530 CG GLU A 35 -5.706 11.955 1.337 1.00 0.00 C ATOM 531 CD GLU A 35 -6.611 12.736 2.270 1.00 0.00 C ATOM 532 OE1 GLU A 35 -7.839 12.739 2.040 1.00 0.00 O ATOM 533 OE2 GLU A 35 -6.092 13.344 3.229 1.00 0.00 O ATOM 0 H GLU A 35 -3.918 10.854 0.119 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.232 9.427 -0.981 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.464 11.056 0.515 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.405 9.933 1.345 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.850 11.580 1.897 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.317 12.624 0.570 1.00 0.00 H new ATOM 540 N ARG A 36 -5.214 11.598 -2.681 1.00 0.00 N ATOM 541 CA ARG A 36 -5.401 12.567 -3.754 1.00 0.00 C ATOM 542 C ARG A 36 -5.651 11.864 -5.085 1.00 0.00 C ATOM 543 O ARG A 36 -6.522 12.266 -5.858 1.00 0.00 O ATOM 544 CB ARG A 36 -4.175 13.476 -3.868 1.00 0.00 C ATOM 545 CG ARG A 36 -3.687 14.010 -2.532 1.00 0.00 C ATOM 546 CD ARG A 36 -2.418 14.834 -2.691 1.00 0.00 C ATOM 547 NE ARG A 36 -2.314 15.881 -1.679 1.00 0.00 N ATOM 548 CZ ARG A 36 -3.044 16.991 -1.692 1.00 0.00 C ATOM 549 NH1 ARG A 36 -3.926 17.197 -2.661 1.00 0.00 N ATOM 550 NH2 ARG A 36 -2.892 17.898 -0.735 1.00 0.00 N ATOM 0 H ARG A 36 -4.337 11.079 -2.729 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.274 13.173 -3.514 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.366 12.923 -4.346 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.415 14.316 -4.520 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.465 14.623 -2.078 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -3.499 13.178 -1.853 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.550 14.178 -2.625 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.401 15.286 -3.683 1.00 0.00 H new ATOM 0 HE ARG A 36 -1.644 15.753 -0.920 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.045 16.502 -3.398 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.485 18.050 -2.669 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -2.214 17.743 0.011 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.453 18.750 -0.746 1.00 0.00 H new ATOM 564 N LYS A 37 -4.883 10.812 -5.346 1.00 0.00 N ATOM 565 CA LYS A 37 -5.021 10.052 -6.583 1.00 0.00 C ATOM 566 C LYS A 37 -5.278 8.577 -6.288 1.00 0.00 C ATOM 567 O LYS A 37 -5.266 7.743 -7.194 1.00 0.00 O ATOM 568 CB LYS A 37 -3.762 10.200 -7.440 1.00 0.00 C ATOM 569 CG LYS A 37 -3.217 11.617 -7.481 1.00 0.00 C ATOM 570 CD LYS A 37 -1.732 11.635 -7.802 1.00 0.00 C ATOM 571 CE LYS A 37 -1.468 11.223 -9.242 1.00 0.00 C ATOM 572 NZ LYS A 37 -1.608 12.370 -10.182 1.00 0.00 N ATOM 0 H LYS A 37 -4.158 10.466 -4.717 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.875 10.449 -7.132 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.990 9.534 -7.055 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.984 9.876 -8.457 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.759 12.195 -8.230 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.388 12.101 -6.520 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.334 12.635 -7.630 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.205 10.961 -7.127 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.463 10.808 -9.323 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.163 10.433 -9.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -1.420 12.048 -11.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.574 12.750 -10.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.927 13.114 -9.926 1.00 0.00 H new ATOM 586 N CYS A 38 -5.510 8.264 -5.019 1.00 0.00 N ATOM 587 CA CYS A 38 -5.771 6.889 -4.606 1.00 0.00 C ATOM 588 C CYS A 38 -4.612 5.976 -4.993 1.00 0.00 C ATOM 589 O CYS A 38 -4.815 4.923 -5.596 1.00 0.00 O ATOM 590 CB CYS A 38 -7.069 6.383 -5.237 1.00 0.00 C ATOM 591 SG CYS A 38 -8.566 7.106 -4.527 1.00 0.00 S ATOM 0 H CYS A 38 -5.523 8.943 -4.258 1.00 0.00 H new ATOM 0 HA CYS A 38 -5.874 6.874 -3.521 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.048 6.595 -6.306 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -7.115 5.299 -5.128 1.00 0.00 H new ATOM 0 HG CYS A 38 -8.441 7.182 -3.235 1.00 0.00 H new ATOM 597 N GLN A 39 -3.398 6.389 -4.644 1.00 0.00 N ATOM 598 CA GLN A 39 -2.207 5.609 -4.957 1.00 0.00 C ATOM 599 C GLN A 39 -1.312 5.464 -3.731 1.00 0.00 C ATOM 600 O GLN A 39 -1.352 6.292 -2.819 1.00 0.00 O ATOM 601 CB GLN A 39 -1.427 6.265 -6.098 1.00 0.00 C ATOM 602 CG GLN A 39 -1.837 5.775 -7.477 1.00 0.00 C ATOM 603 CD GLN A 39 -1.427 6.729 -8.581 1.00 0.00 C ATOM 604 OE1 GLN A 39 -1.243 7.924 -8.349 1.00 0.00 O ATOM 605 NE2 GLN A 39 -1.282 6.205 -9.793 1.00 0.00 N ATOM 0 H GLN A 39 -3.213 7.259 -4.145 1.00 0.00 H new ATOM 0 HA GLN A 39 -2.527 4.615 -5.269 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -1.567 7.345 -6.049 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -0.363 6.075 -5.956 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -1.388 4.799 -7.660 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -2.918 5.638 -7.503 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -1.445 5.209 -9.941 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -1.008 6.799 -10.576 1.00 0.00 H new ATOM 614 N LEU A 40 -0.506 4.409 -3.714 1.00 0.00 N ATOM 615 CA LEU A 40 0.400 4.155 -2.599 1.00 0.00 C ATOM 616 C LEU A 40 1.813 4.628 -2.926 1.00 0.00 C ATOM 617 O LEU A 40 2.530 3.987 -3.694 1.00 0.00 O ATOM 618 CB LEU A 40 0.415 2.664 -2.257 1.00 0.00 C ATOM 619 CG LEU A 40 1.285 2.257 -1.067 1.00 0.00 C ATOM 620 CD1 LEU A 40 0.715 2.817 0.227 1.00 0.00 C ATOM 621 CD2 LEU A 40 1.405 0.742 -0.988 1.00 0.00 C ATOM 0 H LEU A 40 -0.461 3.715 -4.460 1.00 0.00 H new ATOM 0 HA LEU A 40 0.040 4.715 -1.736 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.609 2.347 -2.058 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.754 2.114 -3.135 1.00 0.00 H new ATOM 0 HG LEU A 40 2.282 2.673 -1.211 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.347 2.517 1.063 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.682 3.905 0.169 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.293 2.431 0.378 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.027 0.470 -0.135 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.414 0.304 -0.868 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.860 0.365 -1.904 1.00 0.00 H new ATOM 633 N TYR A 41 2.206 5.752 -2.337 1.00 0.00 N ATOM 634 CA TYR A 41 3.533 6.310 -2.566 1.00 0.00 C ATOM 635 C TYR A 41 4.485 5.936 -1.433 1.00 0.00 C ATOM 636 O TYR A 41 4.123 5.998 -0.258 1.00 0.00 O ATOM 637 CB TYR A 41 3.453 7.832 -2.698 1.00 0.00 C ATOM 638 CG TYR A 41 2.682 8.295 -3.914 1.00 0.00 C ATOM 639 CD1 TYR A 41 1.293 8.273 -3.929 1.00 0.00 C ATOM 640 CD2 TYR A 41 3.343 8.754 -5.046 1.00 0.00 C ATOM 641 CE1 TYR A 41 0.585 8.694 -5.038 1.00 0.00 C ATOM 642 CE2 TYR A 41 2.643 9.178 -6.159 1.00 0.00 C ATOM 643 CZ TYR A 41 1.264 9.146 -6.150 1.00 0.00 C ATOM 644 OH TYR A 41 0.562 9.568 -7.256 1.00 0.00 O ATOM 0 H TYR A 41 1.625 6.294 -1.698 1.00 0.00 H new ATOM 0 HA TYR A 41 3.920 5.891 -3.495 1.00 0.00 H new ATOM 0 HB2 TYR A 41 2.984 8.242 -1.803 1.00 0.00 H new ATOM 0 HB3 TYR A 41 4.464 8.238 -2.743 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.758 7.921 -3.059 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.423 8.780 -5.056 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -0.495 8.669 -5.034 1.00 0.00 H new ATOM 0 HE2 TYR A 41 3.172 9.532 -7.031 1.00 0.00 H new ATOM 0 HH TYR A 41 -0.163 8.936 -7.444 1.00 0.00 H new ATOM 654 N TYR A 42 5.702 5.549 -1.796 1.00 0.00 N ATOM 655 CA TYR A 42 6.707 5.163 -0.812 1.00 0.00 C ATOM 656 C TYR A 42 8.054 5.804 -1.129 1.00 0.00 C ATOM 657 O TYR A 42 8.400 6.006 -2.293 1.00 0.00 O ATOM 658 CB TYR A 42 6.851 3.641 -0.770 1.00 0.00 C ATOM 659 CG TYR A 42 7.499 3.060 -2.007 1.00 0.00 C ATOM 660 CD1 TYR A 42 6.737 2.707 -3.114 1.00 0.00 C ATOM 661 CD2 TYR A 42 8.873 2.864 -2.068 1.00 0.00 C ATOM 662 CE1 TYR A 42 7.325 2.175 -4.245 1.00 0.00 C ATOM 663 CE2 TYR A 42 9.470 2.334 -3.196 1.00 0.00 C ATOM 664 CZ TYR A 42 8.691 1.991 -4.281 1.00 0.00 C ATOM 665 OH TYR A 42 9.281 1.462 -5.407 1.00 0.00 O ATOM 0 H TYR A 42 6.017 5.494 -2.765 1.00 0.00 H new ATOM 0 HA TYR A 42 6.378 5.517 0.165 1.00 0.00 H new ATOM 0 HB2 TYR A 42 7.441 3.364 0.103 1.00 0.00 H new ATOM 0 HB3 TYR A 42 5.865 3.194 -0.643 1.00 0.00 H new ATOM 0 HD1 TYR A 42 5.667 2.851 -3.090 1.00 0.00 H new ATOM 0 HD2 TYR A 42 9.485 3.130 -1.219 1.00 0.00 H new ATOM 0 HE1 TYR A 42 6.718 1.905 -5.096 1.00 0.00 H new ATOM 0 HE2 TYR A 42 10.540 2.189 -3.228 1.00 0.00 H new ATOM 0 HH TYR A 42 10.249 1.399 -5.270 1.00 0.00 H new ATOM 675 N SER A 43 8.811 6.122 -0.083 1.00 0.00 N ATOM 676 CA SER A 43 10.120 6.743 -0.248 1.00 0.00 C ATOM 677 C SER A 43 11.124 6.165 0.745 1.00 0.00 C ATOM 678 O SER A 43 10.785 5.307 1.560 1.00 0.00 O ATOM 679 CB SER A 43 10.016 8.258 -0.062 1.00 0.00 C ATOM 680 OG SER A 43 9.141 8.582 1.005 1.00 0.00 O ATOM 0 H SER A 43 8.540 5.960 0.887 1.00 0.00 H new ATOM 0 HA SER A 43 10.471 6.531 -1.258 1.00 0.00 H new ATOM 0 HB2 SER A 43 11.005 8.672 0.136 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.657 8.717 -0.983 1.00 0.00 H new ATOM 0 HG SER A 43 9.659 8.701 1.828 1.00 0.00 H new ATOM 686 N ARG A 44 12.362 6.642 0.670 1.00 0.00 N ATOM 687 CA ARG A 44 13.417 6.173 1.560 1.00 0.00 C ATOM 688 C ARG A 44 13.056 6.438 3.018 1.00 0.00 C ATOM 689 O ARG A 44 13.327 5.618 3.896 1.00 0.00 O ATOM 690 CB ARG A 44 14.743 6.857 1.220 1.00 0.00 C ATOM 691 CG ARG A 44 15.099 6.794 -0.256 1.00 0.00 C ATOM 692 CD ARG A 44 15.982 7.963 -0.667 1.00 0.00 C ATOM 693 NE ARG A 44 17.402 7.651 -0.528 1.00 0.00 N ATOM 694 CZ ARG A 44 18.077 7.788 0.609 1.00 0.00 C ATOM 695 NH1 ARG A 44 17.463 8.227 1.699 1.00 0.00 N ATOM 696 NH2 ARG A 44 19.367 7.484 0.656 1.00 0.00 N ATOM 0 H ARG A 44 12.659 7.353 0.002 1.00 0.00 H new ATOM 0 HA ARG A 44 13.524 5.097 1.419 1.00 0.00 H new ATOM 0 HB2 ARG A 44 14.693 7.901 1.529 1.00 0.00 H new ATOM 0 HB3 ARG A 44 15.541 6.391 1.798 1.00 0.00 H new ATOM 0 HG2 ARG A 44 15.613 5.856 -0.468 1.00 0.00 H new ATOM 0 HG3 ARG A 44 14.186 6.799 -0.852 1.00 0.00 H new ATOM 0 HD2 ARG A 44 15.769 8.232 -1.702 1.00 0.00 H new ATOM 0 HD3 ARG A 44 15.740 8.832 -0.056 1.00 0.00 H new ATOM 0 HE ARG A 44 17.903 7.309 -1.348 1.00 0.00 H new ATOM 0 HH11 ARG A 44 16.471 8.460 1.666 1.00 0.00 H new ATOM 0 HH12 ARG A 44 17.983 8.331 2.570 1.00 0.00 H new ATOM 0 HH21 ARG A 44 19.842 7.145 -0.181 1.00 0.00 H new ATOM 0 HH22 ARG A 44 19.884 7.589 1.529 1.00 0.00 H new ATOM 710 N THR A 45 12.441 7.590 3.271 1.00 0.00 N ATOM 711 CA THR A 45 12.044 7.964 4.622 1.00 0.00 C ATOM 712 C THR A 45 10.732 8.740 4.614 1.00 0.00 C ATOM 713 O THR A 45 10.170 9.018 3.555 1.00 0.00 O ATOM 714 CB THR A 45 13.127 8.815 5.311 1.00 0.00 C ATOM 715 OG1 THR A 45 13.090 10.156 4.808 1.00 0.00 O ATOM 716 CG2 THR A 45 14.509 8.221 5.083 1.00 0.00 C ATOM 0 H THR A 45 12.207 8.280 2.557 1.00 0.00 H new ATOM 0 HA THR A 45 11.912 7.037 5.180 1.00 0.00 H new ATOM 0 HB THR A 45 12.924 8.823 6.382 1.00 0.00 H new ATOM 0 HG1 THR A 45 13.780 10.691 5.252 1.00 0.00 H new ATOM 0 HG21 THR A 45 15.257 8.839 5.579 1.00 0.00 H new ATOM 0 HG22 THR A 45 14.543 7.211 5.493 1.00 0.00 H new ATOM 0 HG23 THR A 45 14.718 8.186 4.014 1.00 0.00 H new ATOM 787 N PRO A 51 8.059 11.139 -3.395 1.00 0.00 N ATOM 788 CA PRO A 51 7.985 9.676 -3.335 1.00 0.00 C ATOM 789 C PRO A 51 8.688 9.012 -4.514 1.00 0.00 C ATOM 790 O PRO A 51 8.475 9.387 -5.668 1.00 0.00 O ATOM 791 CB PRO A 51 6.481 9.395 -3.381 1.00 0.00 C ATOM 792 CG PRO A 51 5.895 10.578 -4.073 1.00 0.00 C ATOM 793 CD PRO A 51 6.751 11.751 -3.682 1.00 0.00 C ATOM 0 HA PRO A 51 8.480 9.278 -2.449 1.00 0.00 H new ATOM 0 HB2 PRO A 51 6.267 8.474 -3.922 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.069 9.279 -2.379 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.895 10.438 -5.154 1.00 0.00 H new ATOM 0 HG3 PRO A 51 4.859 10.733 -3.772 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.818 12.485 -4.485 1.00 0.00 H new ATOM 0 HD3 PRO A 51 6.350 12.268 -2.811 1.00 0.00 H new ATOM 801 N LEU A 52 9.525 8.024 -4.218 1.00 0.00 N ATOM 802 CA LEU A 52 10.259 7.306 -5.254 1.00 0.00 C ATOM 803 C LEU A 52 9.318 6.826 -6.355 1.00 0.00 C ATOM 804 O LEU A 52 9.466 7.198 -7.518 1.00 0.00 O ATOM 805 CB LEU A 52 11.003 6.116 -4.648 1.00 0.00 C ATOM 806 CG LEU A 52 12.002 6.444 -3.538 1.00 0.00 C ATOM 807 CD1 LEU A 52 12.165 5.258 -2.599 1.00 0.00 C ATOM 808 CD2 LEU A 52 13.345 6.846 -4.130 1.00 0.00 C ATOM 0 H LEU A 52 9.712 7.702 -3.269 1.00 0.00 H new ATOM 0 HA LEU A 52 10.982 7.992 -5.694 1.00 0.00 H new ATOM 0 HB2 LEU A 52 10.267 5.416 -4.252 1.00 0.00 H new ATOM 0 HB3 LEU A 52 11.535 5.600 -5.447 1.00 0.00 H new ATOM 0 HG LEU A 52 11.614 7.286 -2.964 1.00 0.00 H new ATOM 0 HD11 LEU A 52 12.880 5.510 -1.815 1.00 0.00 H new ATOM 0 HD12 LEU A 52 11.203 5.016 -2.148 1.00 0.00 H new ATOM 0 HD13 LEU A 52 12.530 4.397 -3.160 1.00 0.00 H new ATOM 0 HD21 LEU A 52 14.043 7.076 -3.325 1.00 0.00 H new ATOM 0 HD22 LEU A 52 13.739 6.025 -4.729 1.00 0.00 H new ATOM 0 HD23 LEU A 52 13.216 7.726 -4.761 1.00 0.00 H new ATOM 820 N ASP A 53 8.349 5.998 -5.977 1.00 0.00 N ATOM 821 CA ASP A 53 7.381 5.469 -6.931 1.00 0.00 C ATOM 822 C ASP A 53 6.018 5.280 -6.274 1.00 0.00 C ATOM 823 O ASP A 53 5.907 5.252 -5.048 1.00 0.00 O ATOM 824 CB ASP A 53 7.874 4.139 -7.505 1.00 0.00 C ATOM 825 CG ASP A 53 7.336 3.875 -8.898 1.00 0.00 C ATOM 826 OD1 ASP A 53 7.616 4.686 -9.806 1.00 0.00 O ATOM 827 OD2 ASP A 53 6.636 2.857 -9.080 1.00 0.00 O ATOM 0 H ASP A 53 8.213 5.679 -5.018 1.00 0.00 H new ATOM 0 HA ASP A 53 7.276 6.189 -7.742 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.964 4.141 -7.534 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.574 3.327 -6.843 1.00 0.00 H new ATOM 832 N SER A 54 4.982 5.151 -7.097 1.00 0.00 N ATOM 833 CA SER A 54 3.625 4.970 -6.595 1.00 0.00 C ATOM 834 C SER A 54 2.973 3.742 -7.225 1.00 0.00 C ATOM 835 O SER A 54 3.370 3.299 -8.303 1.00 0.00 O ATOM 836 CB SER A 54 2.782 6.213 -6.883 1.00 0.00 C ATOM 837 OG SER A 54 2.142 6.115 -8.144 1.00 0.00 O ATOM 0 H SER A 54 5.057 5.168 -8.114 1.00 0.00 H new ATOM 0 HA SER A 54 3.679 4.819 -5.517 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.033 6.338 -6.101 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.416 7.099 -6.862 1.00 0.00 H new ATOM 0 HG SER A 54 1.557 6.890 -8.275 1.00 0.00 H new ATOM 843 N ILE A 55 1.970 3.199 -6.544 1.00 0.00 N ATOM 844 CA ILE A 55 1.261 2.024 -7.036 1.00 0.00 C ATOM 845 C ILE A 55 -0.246 2.256 -7.049 1.00 0.00 C ATOM 846 O ILE A 55 -0.845 2.570 -6.020 1.00 0.00 O ATOM 847 CB ILE A 55 1.571 0.781 -6.180 1.00 0.00 C ATOM 848 CG1 ILE A 55 3.081 0.547 -6.108 1.00 0.00 C ATOM 849 CG2 ILE A 55 0.866 -0.442 -6.749 1.00 0.00 C ATOM 850 CD1 ILE A 55 3.746 1.250 -4.946 1.00 0.00 C ATOM 0 H ILE A 55 1.630 3.554 -5.650 1.00 0.00 H new ATOM 0 HA ILE A 55 1.607 1.850 -8.055 1.00 0.00 H new ATOM 0 HB ILE A 55 1.201 0.953 -5.169 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.271 -0.524 -6.032 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.538 0.887 -7.037 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.094 -1.313 -6.134 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.211 -0.272 -6.753 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.209 -0.618 -7.769 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.815 1.040 -4.957 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.587 2.325 -5.032 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.316 0.893 -4.010 1.00 0.00 H new ATOM 862 N ASP A 56 -0.853 2.098 -8.220 1.00 0.00 N ATOM 863 CA ASP A 56 -2.291 2.287 -8.367 1.00 0.00 C ATOM 864 C ASP A 56 -3.060 1.169 -7.671 1.00 0.00 C ATOM 865 O ASP A 56 -3.200 0.070 -8.209 1.00 0.00 O ATOM 866 CB ASP A 56 -2.671 2.340 -9.848 1.00 0.00 C ATOM 867 CG ASP A 56 -4.170 2.426 -10.058 1.00 0.00 C ATOM 868 OD1 ASP A 56 -4.755 3.481 -9.735 1.00 0.00 O ATOM 869 OD2 ASP A 56 -4.759 1.438 -10.546 1.00 0.00 O ATOM 0 H ASP A 56 -0.371 1.839 -9.081 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.558 3.234 -7.897 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.192 3.202 -10.312 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.287 1.452 -10.351 1.00 0.00 H new ATOM 874 N LEU A 57 -3.557 1.457 -6.473 1.00 0.00 N ATOM 875 CA LEU A 57 -4.312 0.475 -5.702 1.00 0.00 C ATOM 876 C LEU A 57 -5.703 0.271 -6.294 1.00 0.00 C ATOM 877 O LEU A 57 -6.346 -0.751 -6.054 1.00 0.00 O ATOM 878 CB LEU A 57 -4.426 0.921 -4.244 1.00 0.00 C ATOM 879 CG LEU A 57 -3.106 1.165 -3.511 1.00 0.00 C ATOM 880 CD1 LEU A 57 -3.359 1.803 -2.154 1.00 0.00 C ATOM 881 CD2 LEU A 57 -2.335 -0.138 -3.354 1.00 0.00 C ATOM 0 H LEU A 57 -3.451 2.362 -6.015 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.777 -0.474 -5.744 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.012 1.839 -4.211 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.988 0.164 -3.696 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.504 1.852 -4.106 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.408 1.969 -1.647 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.869 2.757 -2.290 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.981 1.141 -1.551 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.399 0.054 -2.830 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.932 -0.847 -2.781 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.121 -0.555 -4.338 1.00 0.00 H new ATOM 893 N SER A 58 -6.160 1.249 -7.070 1.00 0.00 N ATOM 894 CA SER A 58 -7.475 1.177 -7.695 1.00 0.00 C ATOM 895 C SER A 58 -7.698 -0.190 -8.336 1.00 0.00 C ATOM 896 O SER A 58 -8.803 -0.732 -8.298 1.00 0.00 O ATOM 897 CB SER A 58 -7.623 2.277 -8.748 1.00 0.00 C ATOM 898 OG SER A 58 -7.921 3.524 -8.144 1.00 0.00 O ATOM 0 H SER A 58 -5.639 2.100 -7.281 1.00 0.00 H new ATOM 0 HA SER A 58 -8.227 1.322 -6.920 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.702 2.359 -9.324 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.414 2.010 -9.448 1.00 0.00 H new ATOM 0 HG SER A 58 -8.009 4.211 -8.838 1.00 0.00 H new ATOM 904 N SER A 59 -6.641 -0.740 -8.924 1.00 0.00 N ATOM 905 CA SER A 59 -6.722 -2.041 -9.577 1.00 0.00 C ATOM 906 C SER A 59 -5.608 -2.963 -9.090 1.00 0.00 C ATOM 907 O SER A 59 -5.054 -3.746 -9.861 1.00 0.00 O ATOM 908 CB SER A 59 -6.638 -1.880 -11.096 1.00 0.00 C ATOM 909 OG SER A 59 -7.918 -1.643 -11.655 1.00 0.00 O ATOM 0 H SER A 59 -5.719 -0.305 -8.962 1.00 0.00 H new ATOM 0 HA SER A 59 -7.681 -2.490 -9.319 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.972 -1.053 -11.341 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.206 -2.778 -11.537 1.00 0.00 H new ATOM 0 HG SER A 59 -7.837 -1.542 -12.626 1.00 0.00 H new ATOM 915 N ALA A 60 -5.285 -2.863 -7.805 1.00 0.00 N ATOM 916 CA ALA A 60 -4.239 -3.688 -7.214 1.00 0.00 C ATOM 917 C ALA A 60 -4.829 -4.727 -6.267 1.00 0.00 C ATOM 918 O ALA A 60 -5.717 -4.423 -5.470 1.00 0.00 O ATOM 919 CB ALA A 60 -3.230 -2.816 -6.481 1.00 0.00 C ATOM 0 H ALA A 60 -5.733 -2.219 -7.153 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.729 -4.217 -8.019 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.454 -3.445 -6.045 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.777 -2.116 -7.183 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.735 -2.261 -5.690 1.00 0.00 H new ATOM 925 N VAL A 61 -4.330 -5.956 -6.358 1.00 0.00 N ATOM 926 CA VAL A 61 -4.807 -7.040 -5.509 1.00 0.00 C ATOM 927 C VAL A 61 -3.753 -7.440 -4.483 1.00 0.00 C ATOM 928 O VAL A 61 -2.626 -7.785 -4.837 1.00 0.00 O ATOM 929 CB VAL A 61 -5.192 -8.277 -6.342 1.00 0.00 C ATOM 930 CG1 VAL A 61 -4.310 -8.385 -7.577 1.00 0.00 C ATOM 931 CG2 VAL A 61 -5.097 -9.539 -5.497 1.00 0.00 C ATOM 0 H VAL A 61 -3.595 -6.225 -7.012 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.692 -6.670 -4.991 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.225 -8.164 -6.671 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.597 -9.265 -8.153 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.433 -7.493 -8.191 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.267 -8.475 -7.273 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.372 -10.403 -6.101 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.075 -9.659 -5.136 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -5.775 -9.460 -4.647 1.00 0.00 H new ATOM 941 N PHE A 62 -4.128 -7.392 -3.209 1.00 0.00 N ATOM 942 CA PHE A 62 -3.214 -7.748 -2.129 1.00 0.00 C ATOM 943 C PHE A 62 -3.392 -9.209 -1.727 1.00 0.00 C ATOM 944 O PHE A 62 -4.511 -9.674 -1.512 1.00 0.00 O ATOM 945 CB PHE A 62 -3.444 -6.842 -0.918 1.00 0.00 C ATOM 946 CG PHE A 62 -3.940 -5.472 -1.280 1.00 0.00 C ATOM 947 CD1 PHE A 62 -3.109 -4.566 -1.919 1.00 0.00 C ATOM 948 CD2 PHE A 62 -5.237 -5.089 -0.980 1.00 0.00 C ATOM 949 CE1 PHE A 62 -3.562 -3.304 -2.254 1.00 0.00 C ATOM 950 CE2 PHE A 62 -5.697 -3.828 -1.313 1.00 0.00 C ATOM 951 CZ PHE A 62 -4.858 -2.934 -1.949 1.00 0.00 C ATOM 0 H PHE A 62 -5.058 -7.110 -2.899 1.00 0.00 H new ATOM 0 HA PHE A 62 -2.194 -7.610 -2.488 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -4.164 -7.316 -0.251 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.511 -6.747 -0.363 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -2.095 -4.849 -2.158 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.897 -5.783 -0.480 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -2.904 -2.608 -2.753 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -6.711 -3.543 -1.076 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.214 -1.948 -2.207 1.00 0.00 H new ATOM 961 N ASP A 63 -2.279 -9.929 -1.628 1.00 0.00 N ATOM 962 CA ASP A 63 -2.310 -11.337 -1.252 1.00 0.00 C ATOM 963 C ASP A 63 -1.256 -11.640 -0.191 1.00 0.00 C ATOM 964 O ASP A 63 -0.469 -10.769 0.181 1.00 0.00 O ATOM 965 CB ASP A 63 -2.085 -12.221 -2.479 1.00 0.00 C ATOM 966 CG ASP A 63 -2.703 -13.596 -2.325 1.00 0.00 C ATOM 967 OD1 ASP A 63 -3.716 -13.713 -1.605 1.00 0.00 O ATOM 968 OD2 ASP A 63 -2.173 -14.556 -2.922 1.00 0.00 O ATOM 0 H ASP A 63 -1.344 -9.560 -1.803 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.293 -11.553 -0.834 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.508 -11.733 -3.357 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.015 -12.325 -2.656 1.00 0.00 H new ATOM 973 N CYS A 64 -1.248 -12.877 0.291 1.00 0.00 N ATOM 974 CA CYS A 64 -0.291 -13.294 1.311 1.00 0.00 C ATOM 975 C CYS A 64 0.659 -14.354 0.763 1.00 0.00 C ATOM 976 O CYS A 64 0.243 -15.272 0.056 1.00 0.00 O ATOM 977 CB CYS A 64 -1.026 -13.836 2.538 1.00 0.00 C ATOM 978 SG CYS A 64 -2.075 -15.268 2.197 1.00 0.00 S ATOM 0 H CYS A 64 -1.893 -13.609 -0.007 1.00 0.00 H new ATOM 0 HA CYS A 64 0.295 -12.423 1.603 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -0.292 -14.109 3.297 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -1.641 -13.041 2.961 1.00 0.00 H new ATOM 0 HG CYS A 64 -1.619 -15.902 1.158 1.00 0.00 H new ATOM 984 N LYS A 65 1.939 -14.219 1.093 1.00 0.00 N ATOM 985 CA LYS A 65 2.951 -15.164 0.634 1.00 0.00 C ATOM 986 C LYS A 65 2.849 -16.482 1.395 1.00 0.00 C ATOM 987 O LYS A 65 1.975 -16.653 2.244 1.00 0.00 O ATOM 988 CB LYS A 65 4.350 -14.569 0.808 1.00 0.00 C ATOM 989 CG LYS A 65 4.805 -13.728 -0.372 1.00 0.00 C ATOM 990 CD LYS A 65 6.286 -13.918 -0.654 1.00 0.00 C ATOM 991 CE LYS A 65 7.130 -12.892 0.087 1.00 0.00 C ATOM 992 NZ LYS A 65 8.588 -13.139 -0.094 1.00 0.00 N ATOM 0 H LYS A 65 2.300 -13.465 1.677 1.00 0.00 H new ATOM 0 HA LYS A 65 2.776 -15.361 -0.424 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.365 -13.955 1.708 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.063 -15.379 0.963 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.228 -13.998 -1.256 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.604 -12.676 -0.169 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.588 -14.922 -0.357 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.467 -13.834 -1.726 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.884 -11.892 -0.271 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.886 -12.920 1.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.113 -12.256 0.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.904 -13.862 0.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.766 -13.472 -1.063 1.00 0.00 H new ATOM 1006 N ALA A 66 3.750 -17.409 1.087 1.00 0.00 N ATOM 1007 CA ALA A 66 3.763 -18.710 1.745 1.00 0.00 C ATOM 1008 C ALA A 66 4.203 -18.585 3.200 1.00 0.00 C ATOM 1009 O ALA A 66 3.675 -19.267 4.078 1.00 0.00 O ATOM 1010 CB ALA A 66 4.676 -19.670 0.997 1.00 0.00 C ATOM 0 H ALA A 66 4.480 -17.283 0.386 1.00 0.00 H new ATOM 0 HA ALA A 66 2.748 -19.106 1.732 1.00 0.00 H new ATOM 0 HB1 ALA A 66 4.676 -20.637 1.499 1.00 0.00 H new ATOM 0 HB2 ALA A 66 4.317 -19.792 -0.025 1.00 0.00 H new ATOM 0 HB3 ALA A 66 5.690 -19.270 0.980 1.00 0.00 H new ATOM 1016 N ASP A 67 5.172 -17.711 3.447 1.00 0.00 N ATOM 1017 CA ASP A 67 5.682 -17.496 4.796 1.00 0.00 C ATOM 1018 C ASP A 67 4.892 -16.403 5.509 1.00 0.00 C ATOM 1019 O ASP A 67 5.404 -15.742 6.412 1.00 0.00 O ATOM 1020 CB ASP A 67 7.165 -17.124 4.750 1.00 0.00 C ATOM 1021 CG ASP A 67 8.064 -18.339 4.632 1.00 0.00 C ATOM 1022 OD1 ASP A 67 8.130 -18.923 3.530 1.00 0.00 O ATOM 1023 OD2 ASP A 67 8.702 -18.704 5.641 1.00 0.00 O ATOM 0 H ASP A 67 5.620 -17.140 2.731 1.00 0.00 H new ATOM 0 HA ASP A 67 5.565 -18.425 5.354 1.00 0.00 H new ATOM 0 HB2 ASP A 67 7.344 -16.460 3.904 1.00 0.00 H new ATOM 0 HB3 ASP A 67 7.425 -16.569 5.651 1.00 0.00 H new ATOM 1028 N ALA A 68 3.643 -16.218 5.095 1.00 0.00 N ATOM 1029 CA ALA A 68 2.782 -15.206 5.694 1.00 0.00 C ATOM 1030 C ALA A 68 2.769 -15.326 7.214 1.00 0.00 C ATOM 1031 O ALA A 68 2.447 -14.370 7.918 1.00 0.00 O ATOM 1032 CB ALA A 68 1.369 -15.321 5.142 1.00 0.00 C ATOM 0 H ALA A 68 3.205 -16.756 4.347 1.00 0.00 H new ATOM 0 HA ALA A 68 3.182 -14.226 5.436 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.737 -14.559 5.598 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.388 -15.178 4.062 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.969 -16.309 5.370 1.00 0.00 H new ATOM 1038 N GLU A 69 3.121 -16.507 7.713 1.00 0.00 N ATOM 1039 CA GLU A 69 3.148 -16.751 9.151 1.00 0.00 C ATOM 1040 C GLU A 69 3.973 -15.686 9.868 1.00 0.00 C ATOM 1041 O GLU A 69 3.774 -15.428 11.054 1.00 0.00 O ATOM 1042 CB GLU A 69 3.721 -18.139 9.444 1.00 0.00 C ATOM 1043 CG GLU A 69 5.203 -18.264 9.133 1.00 0.00 C ATOM 1044 CD GLU A 69 6.080 -17.818 10.287 1.00 0.00 C ATOM 1045 OE1 GLU A 69 5.734 -18.123 11.447 1.00 0.00 O ATOM 1046 OE2 GLU A 69 7.112 -17.163 10.029 1.00 0.00 O ATOM 0 H GLU A 69 3.391 -17.309 7.144 1.00 0.00 H new ATOM 0 HA GLU A 69 2.124 -16.703 9.521 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.558 -18.376 10.495 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.173 -18.880 8.862 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.433 -19.301 8.886 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.437 -17.667 8.252 1.00 0.00 H new ATOM 1053 N GLU A 70 4.900 -15.073 9.138 1.00 0.00 N ATOM 1054 CA GLU A 70 5.756 -14.038 9.705 1.00 0.00 C ATOM 1055 C GLU A 70 5.151 -12.654 9.491 1.00 0.00 C ATOM 1056 O GLU A 70 5.382 -11.735 10.275 1.00 0.00 O ATOM 1057 CB GLU A 70 7.151 -14.099 9.079 1.00 0.00 C ATOM 1058 CG GLU A 70 7.931 -12.801 9.201 1.00 0.00 C ATOM 1059 CD GLU A 70 9.428 -13.005 9.071 1.00 0.00 C ATOM 1060 OE1 GLU A 70 9.934 -14.029 9.574 1.00 0.00 O ATOM 1061 OE2 GLU A 70 10.093 -12.139 8.465 1.00 0.00 O ATOM 0 H GLU A 70 5.077 -15.275 8.154 1.00 0.00 H new ATOM 0 HA GLU A 70 5.838 -14.218 10.777 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.718 -14.900 9.554 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.056 -14.358 8.024 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.595 -12.106 8.432 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.713 -12.340 10.164 1.00 0.00 H new ATOM 1068 N GLY A 71 4.374 -12.513 8.421 1.00 0.00 N ATOM 1069 CA GLY A 71 3.748 -11.238 8.121 1.00 0.00 C ATOM 1070 C GLY A 71 4.210 -10.662 6.797 1.00 0.00 C ATOM 1071 O GLY A 71 4.690 -9.530 6.739 1.00 0.00 O ATOM 0 H GLY A 71 4.167 -13.259 7.757 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.666 -11.364 8.101 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.972 -10.530 8.919 1.00 0.00 H new ATOM 1075 N ILE A 72 4.066 -11.444 5.732 1.00 0.00 N ATOM 1076 CA ILE A 72 4.473 -11.004 4.403 1.00 0.00 C ATOM 1077 C ILE A 72 3.308 -11.072 3.421 1.00 0.00 C ATOM 1078 O ILE A 72 2.463 -11.964 3.504 1.00 0.00 O ATOM 1079 CB ILE A 72 5.636 -11.855 3.860 1.00 0.00 C ATOM 1080 CG1 ILE A 72 6.674 -12.098 4.958 1.00 0.00 C ATOM 1081 CG2 ILE A 72 6.276 -11.173 2.660 1.00 0.00 C ATOM 1082 CD1 ILE A 72 6.241 -13.121 5.984 1.00 0.00 C ATOM 0 H ILE A 72 3.671 -12.384 5.763 1.00 0.00 H new ATOM 0 HA ILE A 72 4.804 -9.970 4.501 1.00 0.00 H new ATOM 0 HB ILE A 72 5.242 -12.819 3.538 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.606 -12.428 4.499 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.884 -11.155 5.463 1.00 0.00 H new ATOM 0 HG21 ILE A 72 7.096 -11.787 2.287 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.532 -11.046 1.874 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.659 -10.197 2.958 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.026 -13.242 6.731 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.326 -12.784 6.470 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.059 -14.076 5.491 1.00 0.00 H new ATOM 1094 N PHE A 73 3.269 -10.124 2.491 1.00 0.00 N ATOM 1095 CA PHE A 73 2.208 -10.076 1.491 1.00 0.00 C ATOM 1096 C PHE A 73 2.751 -9.613 0.143 1.00 0.00 C ATOM 1097 O PHE A 73 3.929 -9.279 0.019 1.00 0.00 O ATOM 1098 CB PHE A 73 1.088 -9.141 1.951 1.00 0.00 C ATOM 1099 CG PHE A 73 1.577 -7.794 2.400 1.00 0.00 C ATOM 1100 CD1 PHE A 73 2.183 -7.639 3.636 1.00 0.00 C ATOM 1101 CD2 PHE A 73 1.432 -6.683 1.585 1.00 0.00 C ATOM 1102 CE1 PHE A 73 2.634 -6.401 4.052 1.00 0.00 C ATOM 1103 CE2 PHE A 73 1.882 -5.442 1.996 1.00 0.00 C ATOM 1104 CZ PHE A 73 2.484 -5.301 3.230 1.00 0.00 C ATOM 0 H PHE A 73 3.960 -9.378 2.409 1.00 0.00 H new ATOM 0 HA PHE A 73 1.807 -11.083 1.374 1.00 0.00 H new ATOM 0 HB2 PHE A 73 0.379 -9.007 1.134 1.00 0.00 H new ATOM 0 HB3 PHE A 73 0.545 -9.613 2.770 1.00 0.00 H new ATOM 0 HD1 PHE A 73 2.304 -8.496 4.282 1.00 0.00 H new ATOM 0 HD2 PHE A 73 0.962 -6.788 0.618 1.00 0.00 H new ATOM 0 HE1 PHE A 73 3.103 -6.293 5.019 1.00 0.00 H new ATOM 0 HE2 PHE A 73 1.763 -4.583 1.352 1.00 0.00 H new ATOM 0 HZ PHE A 73 2.837 -4.333 3.552 1.00 0.00 H new ATOM 1114 N GLU A 74 1.884 -9.596 -0.864 1.00 0.00 N ATOM 1115 CA GLU A 74 2.277 -9.175 -2.204 1.00 0.00 C ATOM 1116 C GLU A 74 1.137 -8.435 -2.898 1.00 0.00 C ATOM 1117 O GLU A 74 -0.020 -8.850 -2.827 1.00 0.00 O ATOM 1118 CB GLU A 74 2.697 -10.386 -3.040 1.00 0.00 C ATOM 1119 CG GLU A 74 4.185 -10.685 -2.972 1.00 0.00 C ATOM 1120 CD GLU A 74 4.494 -12.158 -3.162 1.00 0.00 C ATOM 1121 OE1 GLU A 74 3.543 -12.967 -3.158 1.00 0.00 O ATOM 1122 OE2 GLU A 74 5.685 -12.500 -3.313 1.00 0.00 O ATOM 0 H GLU A 74 0.905 -9.869 -0.778 1.00 0.00 H new ATOM 0 HA GLU A 74 3.124 -8.496 -2.110 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.143 -11.261 -2.700 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.416 -10.215 -4.079 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.703 -10.107 -3.737 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.574 -10.358 -2.008 1.00 0.00 H new ATOM 1129 N ILE A 75 1.473 -7.338 -3.567 1.00 0.00 N ATOM 1130 CA ILE A 75 0.479 -6.540 -4.275 1.00 0.00 C ATOM 1131 C ILE A 75 0.586 -6.739 -5.783 1.00 0.00 C ATOM 1132 O ILE A 75 1.482 -6.196 -6.430 1.00 0.00 O ATOM 1133 CB ILE A 75 0.628 -5.041 -3.954 1.00 0.00 C ATOM 1134 CG1 ILE A 75 0.712 -4.827 -2.442 1.00 0.00 C ATOM 1135 CG2 ILE A 75 -0.534 -4.256 -4.542 1.00 0.00 C ATOM 1136 CD1 ILE A 75 0.750 -3.369 -2.039 1.00 0.00 C ATOM 0 H ILE A 75 2.426 -6.981 -3.634 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.499 -6.881 -3.935 1.00 0.00 H new ATOM 0 HB ILE A 75 1.551 -4.678 -4.405 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.145 -5.304 -1.967 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.605 -5.324 -2.062 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.415 -3.198 -4.307 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.551 -4.387 -5.624 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.470 -4.619 -4.117 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.809 -3.293 -0.953 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.622 -2.891 -2.485 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.155 -2.871 -2.389 1.00 0.00 H new ATOM 1148 N LYS A 76 -0.334 -7.521 -6.338 1.00 0.00 N ATOM 1149 CA LYS A 76 -0.346 -7.790 -7.770 1.00 0.00 C ATOM 1150 C LYS A 76 -1.014 -6.650 -8.533 1.00 0.00 C ATOM 1151 O LYS A 76 -2.200 -6.375 -8.346 1.00 0.00 O ATOM 1152 CB LYS A 76 -1.076 -9.105 -8.057 1.00 0.00 C ATOM 1153 CG LYS A 76 -0.160 -10.317 -8.076 1.00 0.00 C ATOM 1154 CD LYS A 76 0.249 -10.729 -6.672 1.00 0.00 C ATOM 1155 CE LYS A 76 -0.715 -11.750 -6.088 1.00 0.00 C ATOM 1156 NZ LYS A 76 -0.819 -12.966 -6.942 1.00 0.00 N ATOM 0 H LYS A 76 -1.081 -7.980 -5.817 1.00 0.00 H new ATOM 0 HA LYS A 76 0.687 -7.873 -8.107 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.848 -9.255 -7.302 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.582 -9.027 -9.019 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.665 -11.148 -8.567 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.730 -10.092 -8.664 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.255 -11.148 -6.693 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.283 -9.850 -6.029 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.382 -12.035 -5.090 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.701 -11.298 -5.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.997 -13.797 -6.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.603 -12.851 -7.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.070 -13.100 -7.465 1.00 0.00 H new ATOM 1170 N THR A 77 -0.246 -5.990 -9.394 1.00 0.00 N ATOM 1171 CA THR A 77 -0.763 -4.880 -10.184 1.00 0.00 C ATOM 1172 C THR A 77 -0.427 -5.054 -11.661 1.00 0.00 C ATOM 1173 O THR A 77 0.570 -5.677 -12.027 1.00 0.00 O ATOM 1174 CB THR A 77 -0.200 -3.532 -9.696 1.00 0.00 C ATOM 1175 OG1 THR A 77 1.216 -3.490 -9.902 1.00 0.00 O ATOM 1176 CG2 THR A 77 -0.511 -3.318 -8.222 1.00 0.00 C ATOM 0 H THR A 77 0.737 -6.205 -9.562 1.00 0.00 H new ATOM 0 HA THR A 77 -1.846 -4.879 -10.058 1.00 0.00 H new ATOM 0 HB THR A 77 -0.674 -2.735 -10.270 1.00 0.00 H new ATOM 0 HG1 THR A 77 1.650 -4.155 -9.328 1.00 0.00 H new ATOM 0 HG21 THR A 77 -0.104 -2.360 -7.900 1.00 0.00 H new ATOM 0 HG22 THR A 77 -1.591 -3.322 -8.074 1.00 0.00 H new ATOM 0 HG23 THR A 77 -0.061 -4.119 -7.635 1.00 0.00 H new ATOM 1184 N PRO A 78 -1.276 -4.489 -12.533 1.00 0.00 N ATOM 1185 CA PRO A 78 -1.088 -4.566 -13.984 1.00 0.00 C ATOM 1186 C PRO A 78 0.103 -3.741 -14.460 1.00 0.00 C ATOM 1187 O PRO A 78 0.367 -3.649 -15.659 1.00 0.00 O ATOM 1188 CB PRO A 78 -2.393 -3.992 -14.542 1.00 0.00 C ATOM 1189 CG PRO A 78 -2.904 -3.098 -13.466 1.00 0.00 C ATOM 1190 CD PRO A 78 -2.484 -3.730 -12.167 1.00 0.00 C ATOM 0 HA PRO A 78 -0.878 -5.584 -14.314 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -2.220 -3.440 -15.466 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -3.107 -4.783 -14.772 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -2.490 -2.094 -13.563 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -3.988 -3.002 -13.521 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -2.272 -2.980 -11.405 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -3.262 -4.380 -11.766 1.00 0.00 H new ATOM 1198 N SER A 79 0.819 -3.145 -13.513 1.00 0.00 N ATOM 1199 CA SER A 79 1.981 -2.324 -13.836 1.00 0.00 C ATOM 1200 C SER A 79 3.268 -2.996 -13.365 1.00 0.00 C ATOM 1201 O SER A 79 4.226 -3.128 -14.126 1.00 0.00 O ATOM 1202 CB SER A 79 1.849 -0.942 -13.195 1.00 0.00 C ATOM 1203 OG SER A 79 0.878 -0.158 -13.866 1.00 0.00 O ATOM 0 H SER A 79 0.616 -3.215 -12.516 1.00 0.00 H new ATOM 0 HA SER A 79 2.026 -2.211 -14.919 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.572 -1.049 -12.146 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.812 -0.433 -13.220 1.00 0.00 H new ATOM 0 HG SER A 79 0.812 0.720 -13.435 1.00 0.00 H new ATOM 1209 N ARG A 80 3.281 -3.417 -12.104 1.00 0.00 N ATOM 1210 CA ARG A 80 4.449 -4.073 -11.530 1.00 0.00 C ATOM 1211 C ARG A 80 4.099 -4.745 -10.205 1.00 0.00 C ATOM 1212 O ARG A 80 3.498 -4.129 -9.325 1.00 0.00 O ATOM 1213 CB ARG A 80 5.577 -3.061 -11.319 1.00 0.00 C ATOM 1214 CG ARG A 80 5.302 -2.067 -10.202 1.00 0.00 C ATOM 1215 CD ARG A 80 6.449 -1.082 -10.038 1.00 0.00 C ATOM 1216 NE ARG A 80 7.620 -1.703 -9.425 1.00 0.00 N ATOM 1217 CZ ARG A 80 8.679 -1.020 -9.006 1.00 0.00 C ATOM 1218 NH1 ARG A 80 8.714 0.299 -9.133 1.00 0.00 N ATOM 1219 NH2 ARG A 80 9.707 -1.657 -8.458 1.00 0.00 N ATOM 0 H ARG A 80 2.496 -3.315 -11.461 1.00 0.00 H new ATOM 0 HA ARG A 80 4.784 -4.839 -12.229 1.00 0.00 H new ATOM 0 HB2 ARG A 80 6.499 -3.598 -11.097 1.00 0.00 H new ATOM 0 HB3 ARG A 80 5.742 -2.515 -12.248 1.00 0.00 H new ATOM 0 HG2 ARG A 80 4.382 -1.523 -10.416 1.00 0.00 H new ATOM 0 HG3 ARG A 80 5.145 -2.604 -9.266 1.00 0.00 H new ATOM 0 HD2 ARG A 80 6.722 -0.678 -11.013 1.00 0.00 H new ATOM 0 HD3 ARG A 80 6.121 -0.243 -9.425 1.00 0.00 H new ATOM 0 HE ARG A 80 7.625 -2.717 -9.313 1.00 0.00 H new ATOM 0 HH11 ARG A 80 7.926 0.792 -9.553 1.00 0.00 H new ATOM 0 HH12 ARG A 80 9.529 0.821 -8.810 1.00 0.00 H new ATOM 0 HH21 ARG A 80 9.684 -2.672 -8.359 1.00 0.00 H new ATOM 0 HH22 ARG A 80 10.520 -1.131 -8.137 1.00 0.00 H new ATOM 1233 N VAL A 81 4.480 -6.011 -10.072 1.00 0.00 N ATOM 1234 CA VAL A 81 4.207 -6.767 -8.855 1.00 0.00 C ATOM 1235 C VAL A 81 5.124 -6.328 -7.718 1.00 0.00 C ATOM 1236 O VAL A 81 6.347 -6.332 -7.857 1.00 0.00 O ATOM 1237 CB VAL A 81 4.380 -8.280 -9.083 1.00 0.00 C ATOM 1238 CG1 VAL A 81 3.916 -9.061 -7.863 1.00 0.00 C ATOM 1239 CG2 VAL A 81 3.623 -8.720 -10.327 1.00 0.00 C ATOM 0 H VAL A 81 4.978 -6.535 -10.791 1.00 0.00 H new ATOM 0 HA VAL A 81 3.171 -6.564 -8.582 1.00 0.00 H new ATOM 0 HB VAL A 81 5.439 -8.488 -9.236 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.046 -10.128 -8.043 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.506 -8.765 -6.995 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.863 -8.850 -7.675 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.756 -9.792 -10.474 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.563 -8.499 -10.205 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.007 -8.185 -11.195 1.00 0.00 H new ATOM 1249 N ILE A 82 4.524 -5.950 -6.594 1.00 0.00 N ATOM 1250 CA ILE A 82 5.287 -5.510 -5.433 1.00 0.00 C ATOM 1251 C ILE A 82 5.213 -6.534 -4.306 1.00 0.00 C ATOM 1252 O ILE A 82 4.157 -7.111 -4.044 1.00 0.00 O ATOM 1253 CB ILE A 82 4.783 -4.151 -4.911 1.00 0.00 C ATOM 1254 CG1 ILE A 82 4.802 -3.110 -6.032 1.00 0.00 C ATOM 1255 CG2 ILE A 82 5.632 -3.688 -3.736 1.00 0.00 C ATOM 1256 CD1 ILE A 82 6.195 -2.731 -6.481 1.00 0.00 C ATOM 0 H ILE A 82 3.512 -5.940 -6.463 1.00 0.00 H new ATOM 0 HA ILE A 82 6.322 -5.405 -5.757 1.00 0.00 H new ATOM 0 HB ILE A 82 3.755 -4.268 -4.568 1.00 0.00 H new ATOM 0 HG12 ILE A 82 4.247 -3.498 -6.886 1.00 0.00 H new ATOM 0 HG13 ILE A 82 4.282 -2.214 -5.694 1.00 0.00 H new ATOM 0 HG21 ILE A 82 5.264 -2.727 -3.378 1.00 0.00 H new ATOM 0 HG22 ILE A 82 5.572 -4.422 -2.932 1.00 0.00 H new ATOM 0 HG23 ILE A 82 6.669 -3.584 -4.055 1.00 0.00 H new ATOM 0 HD11 ILE A 82 6.131 -1.989 -7.277 1.00 0.00 H new ATOM 0 HD12 ILE A 82 6.748 -2.313 -5.639 1.00 0.00 H new ATOM 0 HD13 ILE A 82 6.712 -3.617 -6.850 1.00 0.00 H new ATOM 1268 N THR A 83 6.342 -6.756 -3.640 1.00 0.00 N ATOM 1269 CA THR A 83 6.406 -7.711 -2.540 1.00 0.00 C ATOM 1270 C THR A 83 6.905 -7.045 -1.263 1.00 0.00 C ATOM 1271 O THR A 83 8.109 -6.869 -1.073 1.00 0.00 O ATOM 1272 CB THR A 83 7.325 -8.899 -2.880 1.00 0.00 C ATOM 1273 OG1 THR A 83 6.915 -9.498 -4.115 1.00 0.00 O ATOM 1274 CG2 THR A 83 7.297 -9.939 -1.771 1.00 0.00 C ATOM 0 H THR A 83 7.225 -6.287 -3.843 1.00 0.00 H new ATOM 0 HA THR A 83 5.393 -8.080 -2.382 1.00 0.00 H new ATOM 0 HB THR A 83 8.344 -8.525 -2.979 1.00 0.00 H new ATOM 0 HG1 THR A 83 7.505 -10.252 -4.325 1.00 0.00 H new ATOM 0 HG21 THR A 83 7.954 -10.769 -2.033 1.00 0.00 H new ATOM 0 HG22 THR A 83 7.638 -9.487 -0.840 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.279 -10.308 -1.644 1.00 0.00 H new ATOM 1282 N LEU A 84 5.974 -6.678 -0.390 1.00 0.00 N ATOM 1283 CA LEU A 84 6.320 -6.032 0.872 1.00 0.00 C ATOM 1284 C LEU A 84 5.907 -6.897 2.058 1.00 0.00 C ATOM 1285 O LEU A 84 5.064 -7.786 1.929 1.00 0.00 O ATOM 1286 CB LEU A 84 5.648 -4.662 0.967 1.00 0.00 C ATOM 1287 CG LEU A 84 5.631 -3.832 -0.318 1.00 0.00 C ATOM 1288 CD1 LEU A 84 4.773 -2.589 -0.139 1.00 0.00 C ATOM 1289 CD2 LEU A 84 7.046 -3.452 -0.726 1.00 0.00 C ATOM 0 H LEU A 84 4.974 -6.816 -0.532 1.00 0.00 H new ATOM 0 HA LEU A 84 7.402 -5.902 0.900 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.619 -4.806 1.296 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.153 -4.085 1.742 1.00 0.00 H new ATOM 0 HG LEU A 84 5.196 -4.437 -1.113 1.00 0.00 H new ATOM 0 HD11 LEU A 84 4.773 -2.011 -1.063 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.752 -2.883 0.105 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.178 -1.981 0.669 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.015 -2.862 -1.642 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.508 -2.865 0.068 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.631 -4.356 -0.897 1.00 0.00 H new ATOM 1301 N LYS A 85 6.504 -6.631 3.214 1.00 0.00 N ATOM 1302 CA LYS A 85 6.197 -7.382 4.426 1.00 0.00 C ATOM 1303 C LYS A 85 6.009 -6.444 5.614 1.00 0.00 C ATOM 1304 O LYS A 85 6.695 -5.429 5.731 1.00 0.00 O ATOM 1305 CB LYS A 85 7.313 -8.385 4.726 1.00 0.00 C ATOM 1306 CG LYS A 85 8.508 -7.771 5.435 1.00 0.00 C ATOM 1307 CD LYS A 85 9.750 -8.632 5.281 1.00 0.00 C ATOM 1308 CE LYS A 85 10.828 -8.239 6.279 1.00 0.00 C ATOM 1309 NZ LYS A 85 11.943 -9.225 6.309 1.00 0.00 N ATOM 0 H LYS A 85 7.204 -5.900 3.338 1.00 0.00 H new ATOM 0 HA LYS A 85 5.265 -7.923 4.262 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.911 -9.190 5.341 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.647 -8.834 3.791 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.701 -6.777 5.031 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.280 -7.646 6.493 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.487 -9.680 5.422 1.00 0.00 H new ATOM 0 HD3 LYS A 85 10.138 -8.534 4.267 1.00 0.00 H new ATOM 0 HE2 LYS A 85 11.220 -7.255 6.021 1.00 0.00 H new ATOM 0 HE3 LYS A 85 10.389 -8.157 7.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 12.673 -8.904 6.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 11.580 -10.151 6.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 12.357 -9.310 5.359 1.00 0.00 H new ATOM 1323 N ALA A 86 5.075 -6.792 6.494 1.00 0.00 N ATOM 1324 CA ALA A 86 4.800 -5.983 7.675 1.00 0.00 C ATOM 1325 C ALA A 86 5.608 -6.468 8.874 1.00 0.00 C ATOM 1326 O ALA A 86 6.361 -7.436 8.776 1.00 0.00 O ATOM 1327 CB ALA A 86 3.313 -6.005 7.995 1.00 0.00 C ATOM 0 H ALA A 86 4.497 -7.628 6.411 1.00 0.00 H new ATOM 0 HA ALA A 86 5.099 -4.957 7.460 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.122 -5.397 8.879 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.753 -5.603 7.150 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.997 -7.031 8.185 1.00 0.00 H new ATOM 1333 N ALA A 87 5.448 -5.788 10.004 1.00 0.00 N ATOM 1334 CA ALA A 87 6.161 -6.151 11.222 1.00 0.00 C ATOM 1335 C ALA A 87 5.816 -7.571 11.658 1.00 0.00 C ATOM 1336 O ALA A 87 6.682 -8.446 11.705 1.00 0.00 O ATOM 1337 CB ALA A 87 5.843 -5.163 12.335 1.00 0.00 C ATOM 0 H ALA A 87 4.830 -4.982 10.101 1.00 0.00 H new ATOM 0 HA ALA A 87 7.230 -6.113 11.012 1.00 0.00 H new ATOM 0 HB1 ALA A 87 6.383 -5.447 13.239 1.00 0.00 H new ATOM 0 HB2 ALA A 87 6.147 -4.162 12.030 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.771 -5.172 12.534 1.00 0.00 H new ATOM 1343 N THR A 88 4.546 -7.795 11.978 1.00 0.00 N ATOM 1344 CA THR A 88 4.087 -9.108 12.412 1.00 0.00 C ATOM 1345 C THR A 88 3.036 -9.666 11.459 1.00 0.00 C ATOM 1346 O THR A 88 2.674 -9.024 10.473 1.00 0.00 O ATOM 1347 CB THR A 88 3.497 -9.056 13.834 1.00 0.00 C ATOM 1348 OG1 THR A 88 2.283 -8.296 13.833 1.00 0.00 O ATOM 1349 CG2 THR A 88 4.488 -8.436 14.808 1.00 0.00 C ATOM 0 H THR A 88 3.816 -7.083 11.945 1.00 0.00 H new ATOM 0 HA THR A 88 4.959 -9.763 12.412 1.00 0.00 H new ATOM 0 HB THR A 88 3.286 -10.076 14.154 1.00 0.00 H new ATOM 0 HG1 THR A 88 1.913 -8.269 14.740 1.00 0.00 H new ATOM 0 HG21 THR A 88 4.050 -8.410 15.806 1.00 0.00 H new ATOM 0 HG22 THR A 88 5.400 -9.032 14.828 1.00 0.00 H new ATOM 0 HG23 THR A 88 4.725 -7.421 14.489 1.00 0.00 H new ATOM 1357 N LYS A 89 2.548 -10.865 11.759 1.00 0.00 N ATOM 1358 CA LYS A 89 1.537 -11.510 10.931 1.00 0.00 C ATOM 1359 C LYS A 89 0.239 -10.709 10.934 1.00 0.00 C ATOM 1360 O LYS A 89 -0.367 -10.488 9.886 1.00 0.00 O ATOM 1361 CB LYS A 89 1.272 -12.933 11.428 1.00 0.00 C ATOM 1362 CG LYS A 89 0.028 -13.565 10.827 1.00 0.00 C ATOM 1363 CD LYS A 89 0.337 -14.262 9.513 1.00 0.00 C ATOM 1364 CE LYS A 89 -0.835 -15.111 9.044 1.00 0.00 C ATOM 1365 NZ LYS A 89 -0.740 -15.434 7.593 1.00 0.00 N ATOM 0 H LYS A 89 2.837 -11.410 12.571 1.00 0.00 H new ATOM 0 HA LYS A 89 1.914 -11.553 9.909 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.135 -13.557 11.195 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.173 -12.917 12.513 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -0.393 -14.283 11.531 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -0.729 -12.798 10.664 1.00 0.00 H new ATOM 0 HD2 LYS A 89 0.576 -13.518 8.753 1.00 0.00 H new ATOM 0 HD3 LYS A 89 1.219 -14.891 9.632 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -0.868 -16.035 9.621 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -1.768 -14.581 9.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -1.691 -15.622 7.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -0.319 -14.630 7.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -0.143 -16.276 7.463 1.00 0.00 H new ATOM 1379 N GLN A 90 -0.181 -10.276 12.119 1.00 0.00 N ATOM 1380 CA GLN A 90 -1.406 -9.498 12.257 1.00 0.00 C ATOM 1381 C GLN A 90 -1.223 -8.089 11.703 1.00 0.00 C ATOM 1382 O GLN A 90 -2.196 -7.401 11.395 1.00 0.00 O ATOM 1383 CB GLN A 90 -1.829 -9.430 13.725 1.00 0.00 C ATOM 1384 CG GLN A 90 -3.334 -9.344 13.922 1.00 0.00 C ATOM 1385 CD GLN A 90 -3.716 -8.619 15.197 1.00 0.00 C ATOM 1386 OE1 GLN A 90 -2.863 -8.318 16.033 1.00 0.00 O ATOM 1387 NE2 GLN A 90 -5.003 -8.334 15.354 1.00 0.00 N ATOM 0 H GLN A 90 0.309 -10.451 12.996 1.00 0.00 H new ATOM 0 HA GLN A 90 -2.188 -9.995 11.683 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -1.453 -10.312 14.244 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -1.360 -8.563 14.190 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -3.779 -8.831 13.070 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -3.752 -10.351 13.942 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -5.676 -8.602 14.636 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -5.319 -7.847 16.193 1.00 0.00 H new ATOM 1396 N ALA A 91 0.031 -7.666 11.579 1.00 0.00 N ATOM 1397 CA ALA A 91 0.342 -6.340 11.061 1.00 0.00 C ATOM 1398 C ALA A 91 -0.152 -6.181 9.627 1.00 0.00 C ATOM 1399 O ALA A 91 -0.860 -5.227 9.306 1.00 0.00 O ATOM 1400 CB ALA A 91 1.839 -6.081 11.137 1.00 0.00 C ATOM 0 H ALA A 91 0.848 -8.223 11.830 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.174 -5.606 11.679 1.00 0.00 H new ATOM 0 HB1 ALA A 91 2.057 -5.087 10.747 1.00 0.00 H new ATOM 0 HB2 ALA A 91 2.167 -6.143 12.175 1.00 0.00 H new ATOM 0 HB3 ALA A 91 2.368 -6.827 10.544 1.00 0.00 H new ATOM 1406 N MET A 92 0.228 -7.122 8.768 1.00 0.00 N ATOM 1407 CA MET A 92 -0.177 -7.086 7.368 1.00 0.00 C ATOM 1408 C MET A 92 -1.695 -6.996 7.243 1.00 0.00 C ATOM 1409 O MET A 92 -2.217 -6.246 6.418 1.00 0.00 O ATOM 1410 CB MET A 92 0.334 -8.328 6.635 1.00 0.00 C ATOM 1411 CG MET A 92 0.203 -9.608 7.443 1.00 0.00 C ATOM 1412 SD MET A 92 0.649 -11.076 6.497 1.00 0.00 S ATOM 1413 CE MET A 92 -0.856 -12.038 6.634 1.00 0.00 C ATOM 0 H MET A 92 0.815 -7.918 9.017 1.00 0.00 H new ATOM 0 HA MET A 92 0.261 -6.198 6.912 1.00 0.00 H new ATOM 0 HB2 MET A 92 -0.216 -8.440 5.701 1.00 0.00 H new ATOM 0 HB3 MET A 92 1.381 -8.179 6.373 1.00 0.00 H new ATOM 0 HG2 MET A 92 0.839 -9.542 8.326 1.00 0.00 H new ATOM 0 HG3 MET A 92 -0.823 -9.706 7.796 1.00 0.00 H new ATOM 0 HE1 MET A 92 -0.783 -12.920 5.997 1.00 0.00 H new ATOM 0 HE2 MET A 92 -0.996 -12.348 7.669 1.00 0.00 H new ATOM 0 HE3 MET A 92 -1.705 -11.432 6.319 1.00 0.00 H new ATOM 1423 N LEU A 93 -2.398 -7.766 8.066 1.00 0.00 N ATOM 1424 CA LEU A 93 -3.857 -7.774 8.048 1.00 0.00 C ATOM 1425 C LEU A 93 -4.408 -6.354 7.970 1.00 0.00 C ATOM 1426 O LEU A 93 -5.334 -6.077 7.207 1.00 0.00 O ATOM 1427 CB LEU A 93 -4.399 -8.476 9.294 1.00 0.00 C ATOM 1428 CG LEU A 93 -4.507 -9.999 9.214 1.00 0.00 C ATOM 1429 CD1 LEU A 93 -5.662 -10.405 8.312 1.00 0.00 C ATOM 1430 CD2 LEU A 93 -3.201 -10.600 8.714 1.00 0.00 C ATOM 0 H LEU A 93 -1.982 -8.393 8.754 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.182 -8.319 7.162 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.758 -8.221 10.138 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.388 -8.073 9.512 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.702 -10.384 10.215 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -5.724 -11.492 8.267 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.594 -10.005 8.712 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -5.498 -10.009 7.310 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.296 -11.685 8.663 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.977 -10.208 7.722 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -2.394 -10.338 9.398 1.00 0.00 H new ATOM 1442 N TYR A 94 -3.831 -5.457 8.762 1.00 0.00 N ATOM 1443 CA TYR A 94 -4.265 -4.065 8.783 1.00 0.00 C ATOM 1444 C TYR A 94 -4.026 -3.399 7.431 1.00 0.00 C ATOM 1445 O TYR A 94 -4.878 -2.669 6.927 1.00 0.00 O ATOM 1446 CB TYR A 94 -3.527 -3.296 9.881 1.00 0.00 C ATOM 1447 CG TYR A 94 -3.618 -1.794 9.733 1.00 0.00 C ATOM 1448 CD1 TYR A 94 -4.848 -1.147 9.749 1.00 0.00 C ATOM 1449 CD2 TYR A 94 -2.474 -1.021 9.578 1.00 0.00 C ATOM 1450 CE1 TYR A 94 -4.936 0.224 9.614 1.00 0.00 C ATOM 1451 CE2 TYR A 94 -2.552 0.352 9.444 1.00 0.00 C ATOM 1452 CZ TYR A 94 -3.785 0.970 9.462 1.00 0.00 C ATOM 1453 OH TYR A 94 -3.868 2.337 9.328 1.00 0.00 O ATOM 0 H TYR A 94 -3.062 -5.669 9.398 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.335 -4.047 8.992 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -3.934 -3.583 10.850 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.478 -3.590 9.877 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -5.751 -1.727 9.869 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -1.507 -1.502 9.562 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -5.900 0.710 9.627 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -1.653 0.938 9.326 1.00 0.00 H new ATOM 0 HH TYR A 94 -2.968 2.712 9.232 1.00 0.00 H new ATOM 1463 N TRP A 95 -2.860 -3.658 6.850 1.00 0.00 N ATOM 1464 CA TRP A 95 -2.507 -3.086 5.556 1.00 0.00 C ATOM 1465 C TRP A 95 -3.406 -3.636 4.454 1.00 0.00 C ATOM 1466 O TRP A 95 -4.059 -2.878 3.735 1.00 0.00 O ATOM 1467 CB TRP A 95 -1.042 -3.376 5.229 1.00 0.00 C ATOM 1468 CG TRP A 95 -0.100 -2.326 5.737 1.00 0.00 C ATOM 1469 CD1 TRP A 95 0.572 -2.333 6.925 1.00 0.00 C ATOM 1470 CD2 TRP A 95 0.271 -1.114 5.071 1.00 0.00 C ATOM 1471 NE1 TRP A 95 1.339 -1.198 7.039 1.00 0.00 N ATOM 1472 CE2 TRP A 95 1.172 -0.435 5.914 1.00 0.00 C ATOM 1473 CE3 TRP A 95 -0.069 -0.537 3.844 1.00 0.00 C ATOM 1474 CZ2 TRP A 95 1.735 0.791 5.568 1.00 0.00 C ATOM 1475 CZ3 TRP A 95 0.490 0.680 3.503 1.00 0.00 C ATOM 1476 CH2 TRP A 95 1.385 1.333 4.361 1.00 0.00 C ATOM 0 H TRP A 95 -2.143 -4.260 7.255 1.00 0.00 H new ATOM 0 HA TRP A 95 -2.652 -2.007 5.612 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -0.766 -4.340 5.657 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -0.929 -3.463 4.148 1.00 0.00 H new ATOM 0 HD1 TRP A 95 0.510 -3.116 7.667 1.00 0.00 H new ATOM 0 HE1 TRP A 95 1.935 -0.962 7.832 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.756 -1.033 3.175 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 2.424 1.296 6.229 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 0.232 1.136 2.558 1.00 0.00 H new ATOM 0 HH2 TRP A 95 1.807 2.282 4.064 1.00 0.00 H new ATOM 1487 N LEU A 96 -3.435 -4.958 4.326 1.00 0.00 N ATOM 1488 CA LEU A 96 -4.254 -5.610 3.310 1.00 0.00 C ATOM 1489 C LEU A 96 -5.705 -5.147 3.401 1.00 0.00 C ATOM 1490 O LEU A 96 -6.311 -4.775 2.397 1.00 0.00 O ATOM 1491 CB LEU A 96 -4.181 -7.130 3.467 1.00 0.00 C ATOM 1492 CG LEU A 96 -2.777 -7.729 3.559 1.00 0.00 C ATOM 1493 CD1 LEU A 96 -2.845 -9.248 3.576 1.00 0.00 C ATOM 1494 CD2 LEU A 96 -1.914 -7.245 2.404 1.00 0.00 C ATOM 0 H LEU A 96 -2.901 -5.599 4.913 1.00 0.00 H new ATOM 0 HA LEU A 96 -3.864 -5.333 2.331 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.733 -7.409 4.364 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.695 -7.588 2.622 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.321 -7.396 4.491 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.837 -9.657 3.642 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -3.427 -9.577 4.437 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -3.321 -9.601 2.661 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.919 -7.681 2.486 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.367 -7.548 1.460 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.838 -6.158 2.437 1.00 0.00 H new ATOM 1506 N GLN A 97 -6.253 -5.171 4.611 1.00 0.00 N ATOM 1507 CA GLN A 97 -7.632 -4.752 4.833 1.00 0.00 C ATOM 1508 C GLN A 97 -7.828 -3.292 4.435 1.00 0.00 C ATOM 1509 O GLN A 97 -8.550 -2.989 3.486 1.00 0.00 O ATOM 1510 CB GLN A 97 -8.018 -4.950 6.299 1.00 0.00 C ATOM 1511 CG GLN A 97 -9.425 -4.475 6.627 1.00 0.00 C ATOM 1512 CD GLN A 97 -10.491 -5.459 6.189 1.00 0.00 C ATOM 1513 OE1 GLN A 97 -10.367 -6.664 6.410 1.00 0.00 O ATOM 1514 NE2 GLN A 97 -11.546 -4.951 5.564 1.00 0.00 N ATOM 0 H GLN A 97 -5.764 -5.476 5.453 1.00 0.00 H new ATOM 0 HA GLN A 97 -8.278 -5.370 4.209 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -7.933 -6.008 6.549 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -7.307 -4.415 6.929 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -9.507 -4.311 7.701 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -9.602 -3.514 6.143 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -11.608 -3.946 5.402 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -12.295 -5.566 5.246 1.00 0.00 H new ATOM 1523 N GLN A 98 -7.180 -2.392 5.169 1.00 0.00 N ATOM 1524 CA GLN A 98 -7.285 -0.964 4.893 1.00 0.00 C ATOM 1525 C GLN A 98 -7.018 -0.674 3.420 1.00 0.00 C ATOM 1526 O GLN A 98 -7.874 -0.134 2.718 1.00 0.00 O ATOM 1527 CB GLN A 98 -6.302 -0.182 5.766 1.00 0.00 C ATOM 1528 CG GLN A 98 -6.825 0.107 7.163 1.00 0.00 C ATOM 1529 CD GLN A 98 -8.223 0.694 7.153 1.00 0.00 C ATOM 1530 OE1 GLN A 98 -9.229 -0.172 7.142 1.00 0.00 O flip ATOM 1531 NE2 GLN A 98 -8.397 1.913 7.155 1.00 0.00 N flip ATOM 0 H GLN A 98 -6.578 -2.626 5.958 1.00 0.00 H new ATOM 0 HA GLN A 98 -8.301 -0.647 5.128 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -5.372 -0.745 5.845 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -6.063 0.761 5.274 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -6.826 -0.815 7.744 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -6.148 0.799 7.664 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -7.595 2.543 7.164 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -9.344 2.293 7.148 1.00 0.00 H new ATOM 1540 N LEU A 99 -5.826 -1.034 2.957 1.00 0.00 N ATOM 1541 CA LEU A 99 -5.446 -0.812 1.566 1.00 0.00 C ATOM 1542 C LEU A 99 -6.651 -0.957 0.643 1.00 0.00 C ATOM 1543 O LEU A 99 -6.812 -0.191 -0.307 1.00 0.00 O ATOM 1544 CB LEU A 99 -4.351 -1.796 1.153 1.00 0.00 C ATOM 1545 CG LEU A 99 -2.929 -1.438 1.585 1.00 0.00 C ATOM 1546 CD1 LEU A 99 -1.975 -2.584 1.285 1.00 0.00 C ATOM 1547 CD2 LEU A 99 -2.467 -0.162 0.895 1.00 0.00 C ATOM 0 H LEU A 99 -5.106 -1.481 3.524 1.00 0.00 H new ATOM 0 HA LEU A 99 -5.064 0.205 1.477 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -4.598 -2.776 1.562 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.366 -1.891 0.067 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.930 -1.266 2.661 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.968 -2.311 1.599 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.295 -3.475 1.826 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.978 -2.789 0.214 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -1.453 0.078 1.214 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.483 -0.306 -0.185 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.134 0.658 1.161 1.00 0.00 H new ATOM 1559 N GLN A 100 -7.495 -1.942 0.930 1.00 0.00 N ATOM 1560 CA GLN A 100 -8.687 -2.186 0.125 1.00 0.00 C ATOM 1561 C GLN A 100 -9.718 -1.081 0.331 1.00 0.00 C ATOM 1562 O GLN A 100 -10.228 -0.508 -0.631 1.00 0.00 O ATOM 1563 CB GLN A 100 -9.298 -3.543 0.479 1.00 0.00 C ATOM 1564 CG GLN A 100 -8.766 -4.689 -0.365 1.00 0.00 C ATOM 1565 CD GLN A 100 -9.745 -5.841 -0.469 1.00 0.00 C ATOM 1566 OE1 GLN A 100 -10.208 -6.181 -1.558 1.00 0.00 O ATOM 1567 NE2 GLN A 100 -10.066 -6.451 0.666 1.00 0.00 N ATOM 0 H GLN A 100 -7.376 -2.584 1.713 1.00 0.00 H new ATOM 0 HA GLN A 100 -8.392 -2.191 -0.924 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -9.104 -3.756 1.530 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -10.380 -3.487 0.360 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -8.535 -4.322 -1.365 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -7.832 -5.049 0.066 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -9.659 -6.137 1.547 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -10.720 -7.234 0.657 1.00 0.00 H new ATOM 1576 N MET A 101 -10.020 -0.787 1.592 1.00 0.00 N ATOM 1577 CA MET A 101 -10.990 0.250 1.923 1.00 0.00 C ATOM 1578 C MET A 101 -10.914 1.403 0.928 1.00 0.00 C ATOM 1579 O MET A 101 -11.923 1.804 0.347 1.00 0.00 O ATOM 1580 CB MET A 101 -10.749 0.769 3.342 1.00 0.00 C ATOM 1581 CG MET A 101 -11.419 -0.072 4.418 1.00 0.00 C ATOM 1582 SD MET A 101 -10.919 -1.803 4.357 1.00 0.00 S ATOM 1583 CE MET A 101 -12.356 -2.543 3.585 1.00 0.00 C ATOM 0 H MET A 101 -9.607 -1.252 2.400 1.00 0.00 H new ATOM 0 HA MET A 101 -11.986 -0.189 1.868 1.00 0.00 H new ATOM 0 HB2 MET A 101 -9.676 0.800 3.532 1.00 0.00 H new ATOM 0 HB3 MET A 101 -11.115 1.793 3.413 1.00 0.00 H new ATOM 0 HG2 MET A 101 -11.176 0.338 5.398 1.00 0.00 H new ATOM 0 HG3 MET A 101 -12.501 -0.006 4.304 1.00 0.00 H new ATOM 0 HE1 MET A 101 -12.039 -3.350 2.924 1.00 0.00 H new ATOM 0 HE2 MET A 101 -13.017 -2.942 4.354 1.00 0.00 H new ATOM 0 HE3 MET A 101 -12.888 -1.788 3.006 1.00 0.00 H new ATOM 1593 N LYS A 102 -9.711 1.934 0.735 1.00 0.00 N ATOM 1594 CA LYS A 102 -9.502 3.042 -0.190 1.00 0.00 C ATOM 1595 C LYS A 102 -10.002 2.685 -1.587 1.00 0.00 C ATOM 1596 O LYS A 102 -10.817 3.403 -2.167 1.00 0.00 O ATOM 1597 CB LYS A 102 -8.019 3.413 -0.248 1.00 0.00 C ATOM 1598 CG LYS A 102 -7.401 3.662 1.118 1.00 0.00 C ATOM 1599 CD LYS A 102 -7.930 4.942 1.743 1.00 0.00 C ATOM 1600 CE LYS A 102 -7.092 5.364 2.941 1.00 0.00 C ATOM 1601 NZ LYS A 102 -7.231 6.819 3.229 1.00 0.00 N ATOM 0 H LYS A 102 -8.865 1.614 1.207 1.00 0.00 H new ATOM 0 HA LYS A 102 -10.070 3.898 0.174 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -7.472 2.612 -0.745 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -7.900 4.307 -0.860 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -7.616 2.819 1.775 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -6.317 3.723 1.022 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -7.930 5.739 0.999 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -8.964 4.796 2.054 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -7.395 4.790 3.817 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -6.044 5.129 2.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -6.816 7.030 4.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -6.736 7.367 2.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -8.238 7.077 3.233 1.00 0.00 H new ATOM 1615 N ARG A 103 -9.510 1.572 -2.120 1.00 0.00 N ATOM 1616 CA ARG A 103 -9.907 1.120 -3.448 1.00 0.00 C ATOM 1617 C ARG A 103 -11.386 0.745 -3.475 1.00 0.00 C ATOM 1618 O ARG A 103 -12.186 1.384 -4.159 1.00 0.00 O ATOM 1619 CB ARG A 103 -9.059 -0.078 -3.878 1.00 0.00 C ATOM 1620 CG ARG A 103 -9.606 -0.807 -5.094 1.00 0.00 C ATOM 1621 CD ARG A 103 -8.977 -2.183 -5.248 1.00 0.00 C ATOM 1622 NE ARG A 103 -9.878 -3.126 -5.907 1.00 0.00 N ATOM 1623 CZ ARG A 103 -10.931 -3.674 -5.312 1.00 0.00 C ATOM 1624 NH1 ARG A 103 -11.215 -3.375 -4.052 1.00 0.00 N ATOM 1625 NH2 ARG A 103 -11.703 -4.523 -5.978 1.00 0.00 N ATOM 0 H ARG A 103 -8.835 0.966 -1.653 1.00 0.00 H new ATOM 0 HA ARG A 103 -9.744 1.941 -4.147 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -8.047 0.263 -4.095 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -8.988 -0.779 -3.046 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -10.687 -0.908 -5.003 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -9.415 -0.216 -5.990 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -8.056 -2.098 -5.825 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -8.704 -2.569 -4.266 1.00 0.00 H new ATOM 0 HE ARG A 103 -9.688 -3.377 -6.877 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -10.624 -2.722 -3.537 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -12.025 -3.798 -3.598 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -11.488 -4.755 -6.948 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -12.512 -4.944 -5.520 1.00 0.00 H new ATOM 1639 N TRP A 104 -11.741 -0.294 -2.728 1.00 0.00 N ATOM 1640 CA TRP A 104 -13.124 -0.754 -2.667 1.00 0.00 C ATOM 1641 C TRP A 104 -14.088 0.426 -2.608 1.00 0.00 C ATOM 1642 O TRP A 104 -15.120 0.429 -3.278 1.00 0.00 O ATOM 1643 CB TRP A 104 -13.329 -1.657 -1.450 1.00 0.00 C ATOM 1644 CG TRP A 104 -14.740 -1.662 -0.944 1.00 0.00 C ATOM 1645 CD1 TRP A 104 -15.747 -2.498 -1.333 1.00 0.00 C ATOM 1646 CD2 TRP A 104 -15.300 -0.788 0.042 1.00 0.00 C ATOM 1647 NE1 TRP A 104 -16.899 -2.196 -0.648 1.00 0.00 N ATOM 1648 CE2 TRP A 104 -16.651 -1.152 0.202 1.00 0.00 C ATOM 1649 CE3 TRP A 104 -14.791 0.266 0.806 1.00 0.00 C ATOM 1650 CZ2 TRP A 104 -17.497 -0.498 1.094 1.00 0.00 C ATOM 1651 CZ3 TRP A 104 -15.631 0.913 1.691 1.00 0.00 C ATOM 1652 CH2 TRP A 104 -16.972 0.530 1.830 1.00 0.00 C ATOM 0 H TRP A 104 -11.091 -0.834 -2.156 1.00 0.00 H new ATOM 0 HA TRP A 104 -13.332 -1.324 -3.573 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -13.040 -2.675 -1.710 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -12.665 -1.332 -0.649 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -15.652 -3.281 -2.070 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -17.794 -2.673 -0.755 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -13.759 0.569 0.706 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -18.531 -0.791 1.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -15.248 1.728 2.286 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -17.603 1.056 2.531 1.00 0.00 H new ATOM 1663 N GLU A 105 -13.745 1.426 -1.802 1.00 0.00 N ATOM 1664 CA GLU A 105 -14.582 2.611 -1.656 1.00 0.00 C ATOM 1665 C GLU A 105 -14.795 3.295 -3.004 1.00 0.00 C ATOM 1666 O GLU A 105 -15.885 3.788 -3.297 1.00 0.00 O ATOM 1667 CB GLU A 105 -13.948 3.592 -0.668 1.00 0.00 C ATOM 1668 CG GLU A 105 -14.384 3.374 0.771 1.00 0.00 C ATOM 1669 CD GLU A 105 -14.196 4.608 1.631 1.00 0.00 C ATOM 1670 OE1 GLU A 105 -14.350 5.729 1.104 1.00 0.00 O ATOM 1671 OE2 GLU A 105 -13.894 4.452 2.833 1.00 0.00 O ATOM 0 H GLU A 105 -12.894 1.439 -1.240 1.00 0.00 H new ATOM 0 HA GLU A 105 -15.551 2.295 -1.271 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -12.863 3.504 -0.727 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -14.202 4.609 -0.966 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -15.434 3.080 0.788 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -13.815 2.548 1.198 1.00 0.00 H new ATOM 1678 N PHE A 106 -13.746 3.323 -3.819 1.00 0.00 N ATOM 1679 CA PHE A 106 -13.817 3.948 -5.135 1.00 0.00 C ATOM 1680 C PHE A 106 -14.764 3.180 -6.052 1.00 0.00 C ATOM 1681 O PHE A 106 -15.480 3.772 -6.860 1.00 0.00 O ATOM 1682 CB PHE A 106 -12.424 4.018 -5.765 1.00 0.00 C ATOM 1683 CG PHE A 106 -12.447 4.051 -7.266 1.00 0.00 C ATOM 1684 CD1 PHE A 106 -12.910 5.168 -7.941 1.00 0.00 C ATOM 1685 CD2 PHE A 106 -12.005 2.963 -8.003 1.00 0.00 C ATOM 1686 CE1 PHE A 106 -12.932 5.202 -9.323 1.00 0.00 C ATOM 1687 CE2 PHE A 106 -12.024 2.991 -9.384 1.00 0.00 C ATOM 1688 CZ PHE A 106 -12.489 4.112 -10.045 1.00 0.00 C ATOM 0 H PHE A 106 -12.837 2.920 -3.592 1.00 0.00 H new ATOM 0 HA PHE A 106 -14.203 4.960 -5.009 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -11.912 4.907 -5.398 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -11.842 3.157 -5.437 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -13.258 6.023 -7.381 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -11.642 2.084 -7.492 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -13.295 6.080 -9.837 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -11.676 2.137 -9.947 1.00 0.00 H new ATOM 0 HZ PHE A 106 -12.506 4.135 -11.125 1.00 0.00 H new ATOM 1698 N HIS A 107 -14.762 1.857 -5.920 1.00 0.00 N ATOM 1699 CA HIS A 107 -15.621 1.006 -6.737 1.00 0.00 C ATOM 1700 C HIS A 107 -17.091 1.225 -6.389 1.00 0.00 C ATOM 1701 O HIS A 107 -17.941 1.314 -7.274 1.00 0.00 O ATOM 1702 CB HIS A 107 -15.252 -0.465 -6.541 1.00 0.00 C ATOM 1703 CG HIS A 107 -13.915 -0.827 -7.110 1.00 0.00 C ATOM 1704 ND1 HIS A 107 -13.656 -0.858 -8.463 1.00 0.00 N ATOM 1705 CD2 HIS A 107 -12.758 -1.175 -6.499 1.00 0.00 C ATOM 1706 CE1 HIS A 107 -12.398 -1.209 -8.661 1.00 0.00 C ATOM 1707 NE2 HIS A 107 -11.831 -1.407 -7.485 1.00 0.00 N ATOM 0 H HIS A 107 -14.176 1.351 -5.256 1.00 0.00 H new ATOM 0 HA HIS A 107 -15.469 1.275 -7.782 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -15.258 -0.694 -5.475 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -16.016 -1.088 -7.006 1.00 0.00 H new ATOM 0 HD1 HIS A 107 -14.331 -0.643 -9.197 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -12.595 -1.255 -5.434 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -11.915 -1.316 -9.621 1.00 0.00 H new