USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=25 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 37 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0365) USER MOD Set 1.2: A 39 GLN : amide:sc= 0.112 X(o=-0.66,f=-0.77) USER MOD Set 1.3: A 41 TYR OH : rot -57:sc= -0.774 USER MOD Set 1.4: A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 180:sc=-0.00383 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 146:sc= -0.891 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.338) USER MOD Single : A 28 SER OG : rot 32:sc= 0.679 USER MOD Single : A 33 TYR OH : rot 165:sc= -0.831 USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= -0.343 USER MOD Single : A 43 SER OG : rot 66:sc= 0.447 USER MOD Single : A 45 THR OG1 : rot 180: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 28:sc= 0.133 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 149:sc= -0.495 (180deg=-2.76!) USER MOD Single : A 77 THR OG1 : rot 17:sc= -1.14 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -121:sc= -0.219 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 MET CE :methyl -110:sc= -0.113 (180deg=-0.893) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -0.139 K(o=-0.14,f=-2.3!) USER MOD Single : A 98 GLN :FLIP amide:sc= -0.953 F(o=-1.6!,f=-0.95) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 MET CE :methyl -138:sc= -0.0727 (180deg=-0.149) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 HIS : no HD1:sc= -0.346 X(o=-0.35,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 110 N LEU A 10 -3.434 6.243 6.487 1.00 0.00 N ATOM 111 CA LEU A 10 -2.852 4.911 6.360 1.00 0.00 C ATOM 112 C LEU A 10 -1.373 4.996 5.997 1.00 0.00 C ATOM 113 O LEU A 10 -1.020 5.266 4.848 1.00 0.00 O ATOM 114 CB LEU A 10 -3.603 4.103 5.301 1.00 0.00 C ATOM 115 CG LEU A 10 -3.008 2.739 4.950 1.00 0.00 C ATOM 116 CD1 LEU A 10 -3.188 1.765 6.103 1.00 0.00 C ATOM 117 CD2 LEU A 10 -3.645 2.190 3.681 1.00 0.00 C ATOM 0 HA LEU A 10 -2.943 4.408 7.323 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.626 3.953 5.645 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.658 4.698 4.390 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.940 2.865 4.772 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.758 0.800 5.834 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.685 2.153 6.989 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.250 1.643 6.314 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.210 1.219 3.446 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.719 2.079 3.831 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.463 2.878 2.856 1.00 0.00 H new ATOM 129 N CYS A 11 -0.513 4.763 6.982 1.00 0.00 N ATOM 130 CA CYS A 11 0.929 4.811 6.765 1.00 0.00 C ATOM 131 C CYS A 11 1.638 3.740 7.587 1.00 0.00 C ATOM 132 O CYS A 11 1.056 3.156 8.500 1.00 0.00 O ATOM 133 CB CYS A 11 1.474 6.193 7.128 1.00 0.00 C ATOM 134 SG CYS A 11 1.198 6.667 8.851 1.00 0.00 S ATOM 0 H CYS A 11 -0.789 4.539 7.938 1.00 0.00 H new ATOM 0 HA CYS A 11 1.120 4.619 5.709 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.544 6.215 6.924 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.011 6.936 6.479 1.00 0.00 H new ATOM 0 HG CYS A 11 1.696 7.849 9.061 1.00 0.00 H new ATOM 140 N GLY A 12 2.901 3.486 7.255 1.00 0.00 N ATOM 141 CA GLY A 12 3.668 2.483 7.970 1.00 0.00 C ATOM 142 C GLY A 12 4.901 2.042 7.206 1.00 0.00 C ATOM 143 O GLY A 12 4.937 2.117 5.977 1.00 0.00 O ATOM 0 H GLY A 12 3.406 3.957 6.504 1.00 0.00 H new ATOM 0 HA2 GLY A 12 3.968 2.882 8.939 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.036 1.617 8.164 1.00 0.00 H new ATOM 147 N TYR A 13 5.913 1.582 7.933 1.00 0.00 N ATOM 148 CA TYR A 13 7.154 1.131 7.316 1.00 0.00 C ATOM 149 C TYR A 13 7.017 -0.296 6.796 1.00 0.00 C ATOM 150 O TYR A 13 6.313 -1.119 7.383 1.00 0.00 O ATOM 151 CB TYR A 13 8.306 1.212 8.319 1.00 0.00 C ATOM 152 CG TYR A 13 8.776 2.623 8.589 1.00 0.00 C ATOM 153 CD1 TYR A 13 9.705 3.238 7.759 1.00 0.00 C ATOM 154 CD2 TYR A 13 8.290 3.342 9.675 1.00 0.00 C ATOM 155 CE1 TYR A 13 10.138 4.527 8.003 1.00 0.00 C ATOM 156 CE2 TYR A 13 8.716 4.632 9.926 1.00 0.00 C ATOM 157 CZ TYR A 13 9.640 5.220 9.087 1.00 0.00 C ATOM 158 OH TYR A 13 10.068 6.505 9.333 1.00 0.00 O ATOM 0 H TYR A 13 5.898 1.512 8.950 1.00 0.00 H new ATOM 0 HA TYR A 13 7.369 1.787 6.472 1.00 0.00 H new ATOM 0 HB2 TYR A 13 7.991 0.757 9.258 1.00 0.00 H new ATOM 0 HB3 TYR A 13 9.144 0.624 7.945 1.00 0.00 H new ATOM 0 HD1 TYR A 13 10.095 2.699 6.908 1.00 0.00 H new ATOM 0 HD2 TYR A 13 7.567 2.884 10.334 1.00 0.00 H new ATOM 0 HE1 TYR A 13 10.862 4.990 7.349 1.00 0.00 H new ATOM 0 HE2 TYR A 13 8.328 5.177 10.774 1.00 0.00 H new ATOM 0 HH TYR A 13 9.620 6.852 10.133 1.00 0.00 H new ATOM 168 N LEU A 14 7.695 -0.584 5.690 1.00 0.00 N ATOM 169 CA LEU A 14 7.651 -1.913 5.089 1.00 0.00 C ATOM 170 C LEU A 14 9.008 -2.292 4.505 1.00 0.00 C ATOM 171 O LEU A 14 9.936 -1.483 4.489 1.00 0.00 O ATOM 172 CB LEU A 14 6.581 -1.965 3.998 1.00 0.00 C ATOM 173 CG LEU A 14 5.141 -1.732 4.458 1.00 0.00 C ATOM 174 CD1 LEU A 14 4.199 -1.694 3.264 1.00 0.00 C ATOM 175 CD2 LEU A 14 4.715 -2.811 5.442 1.00 0.00 C ATOM 0 H LEU A 14 8.282 0.085 5.191 1.00 0.00 H new ATOM 0 HA LEU A 14 7.400 -2.630 5.870 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.825 -1.219 3.242 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.633 -2.939 3.512 1.00 0.00 H new ATOM 0 HG LEU A 14 5.092 -0.768 4.964 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.179 -1.527 3.610 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.492 -0.885 2.595 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.250 -2.643 2.730 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.688 -2.630 5.759 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.779 -3.787 4.962 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.372 -2.790 6.312 1.00 0.00 H new ATOM 187 N SER A 15 9.116 -3.526 4.024 1.00 0.00 N ATOM 188 CA SER A 15 10.360 -4.013 3.440 1.00 0.00 C ATOM 189 C SER A 15 10.171 -4.352 1.964 1.00 0.00 C ATOM 190 O SER A 15 9.299 -5.142 1.603 1.00 0.00 O ATOM 191 CB SER A 15 10.856 -5.246 4.198 1.00 0.00 C ATOM 192 OG SER A 15 12.270 -5.332 4.163 1.00 0.00 O ATOM 0 H SER A 15 8.357 -4.207 4.027 1.00 0.00 H new ATOM 0 HA SER A 15 11.105 -3.221 3.521 1.00 0.00 H new ATOM 0 HB2 SER A 15 10.517 -5.201 5.233 1.00 0.00 H new ATOM 0 HB3 SER A 15 10.423 -6.145 3.759 1.00 0.00 H new ATOM 0 HG SER A 15 12.595 -5.716 5.004 1.00 0.00 H new ATOM 198 N LYS A 16 10.996 -3.748 1.115 1.00 0.00 N ATOM 199 CA LYS A 16 10.923 -3.984 -0.322 1.00 0.00 C ATOM 200 C LYS A 16 11.916 -5.061 -0.747 1.00 0.00 C ATOM 201 O LYS A 16 13.124 -4.916 -0.555 1.00 0.00 O ATOM 202 CB LYS A 16 11.201 -2.688 -1.087 1.00 0.00 C ATOM 203 CG LYS A 16 10.831 -2.760 -2.558 1.00 0.00 C ATOM 204 CD LYS A 16 10.420 -1.399 -3.097 1.00 0.00 C ATOM 205 CE LYS A 16 9.586 -1.529 -4.362 1.00 0.00 C ATOM 206 NZ LYS A 16 10.435 -1.740 -5.567 1.00 0.00 N ATOM 0 H LYS A 16 11.723 -3.091 1.398 1.00 0.00 H new ATOM 0 HA LYS A 16 9.916 -4.329 -0.558 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.646 -1.874 -0.621 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.260 -2.443 -0.999 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.679 -3.138 -3.129 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.014 -3.468 -2.694 1.00 0.00 H new ATOM 0 HD2 LYS A 16 9.850 -0.863 -2.338 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.310 -0.805 -3.306 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.893 -2.363 -4.256 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.985 -0.630 -4.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.829 -1.824 -6.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.079 -0.932 -5.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.990 -2.612 -5.452 1.00 0.00 H new ATOM 220 N PHE A 17 11.400 -6.140 -1.326 1.00 0.00 N ATOM 221 CA PHE A 17 12.241 -7.241 -1.779 1.00 0.00 C ATOM 222 C PHE A 17 12.797 -6.963 -3.173 1.00 0.00 C ATOM 223 O PHE A 17 12.455 -5.962 -3.801 1.00 0.00 O ATOM 224 CB PHE A 17 11.447 -8.549 -1.786 1.00 0.00 C ATOM 225 CG PHE A 17 12.312 -9.775 -1.839 1.00 0.00 C ATOM 226 CD1 PHE A 17 13.358 -9.941 -0.945 1.00 0.00 C ATOM 227 CD2 PHE A 17 12.079 -10.763 -2.782 1.00 0.00 C ATOM 228 CE1 PHE A 17 14.156 -11.068 -0.993 1.00 0.00 C ATOM 229 CE2 PHE A 17 12.873 -11.893 -2.834 1.00 0.00 C ATOM 230 CZ PHE A 17 13.913 -12.046 -1.937 1.00 0.00 C ATOM 0 H PHE A 17 10.403 -6.275 -1.493 1.00 0.00 H new ATOM 0 HA PHE A 17 13.077 -7.335 -1.086 1.00 0.00 H new ATOM 0 HB2 PHE A 17 10.825 -8.592 -0.892 1.00 0.00 H new ATOM 0 HB3 PHE A 17 10.774 -8.552 -2.643 1.00 0.00 H new ATOM 0 HD1 PHE A 17 13.552 -9.181 -0.203 1.00 0.00 H new ATOM 0 HD2 PHE A 17 11.267 -10.649 -3.485 1.00 0.00 H new ATOM 0 HE1 PHE A 17 14.970 -11.184 -0.292 1.00 0.00 H new ATOM 0 HE2 PHE A 17 12.681 -12.655 -3.575 1.00 0.00 H new ATOM 0 HZ PHE A 17 14.534 -12.929 -1.974 1.00 0.00 H new ATOM 347 N TRP A 26 15.811 -7.808 1.274 1.00 0.00 N ATOM 348 CA TRP A 26 14.892 -6.936 1.997 1.00 0.00 C ATOM 349 C TRP A 26 15.534 -5.582 2.278 1.00 0.00 C ATOM 350 O TRP A 26 16.678 -5.506 2.727 1.00 0.00 O ATOM 351 CB TRP A 26 14.461 -7.592 3.310 1.00 0.00 C ATOM 352 CG TRP A 26 13.649 -8.836 3.113 1.00 0.00 C ATOM 353 CD1 TRP A 26 14.050 -10.121 3.344 1.00 0.00 C ATOM 354 CD2 TRP A 26 12.299 -8.914 2.644 1.00 0.00 C ATOM 355 NE1 TRP A 26 13.031 -10.993 3.046 1.00 0.00 N ATOM 356 CE2 TRP A 26 11.945 -10.277 2.616 1.00 0.00 C ATOM 357 CE3 TRP A 26 11.353 -7.964 2.248 1.00 0.00 C ATOM 358 CZ2 TRP A 26 10.687 -10.711 2.205 1.00 0.00 C ATOM 359 CZ3 TRP A 26 10.105 -8.397 1.840 1.00 0.00 C ATOM 360 CH2 TRP A 26 9.781 -9.760 1.822 1.00 0.00 C ATOM 0 HA TRP A 26 14.013 -6.778 1.372 1.00 0.00 H new ATOM 0 HB2 TRP A 26 15.348 -7.834 3.895 1.00 0.00 H new ATOM 0 HB3 TRP A 26 13.881 -6.876 3.892 1.00 0.00 H new ATOM 0 HD1 TRP A 26 15.025 -10.409 3.708 1.00 0.00 H new ATOM 0 HE1 TRP A 26 13.076 -12.008 3.131 1.00 0.00 H new ATOM 0 HE3 TRP A 26 11.593 -6.911 2.261 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 10.436 -11.761 2.189 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 9.367 -7.672 1.530 1.00 0.00 H new ATOM 0 HH2 TRP A 26 8.797 -10.066 1.499 1.00 0.00 H new ATOM 371 N LYS A 27 14.791 -4.513 2.012 1.00 0.00 N ATOM 372 CA LYS A 27 15.286 -3.160 2.237 1.00 0.00 C ATOM 373 C LYS A 27 14.251 -2.318 2.976 1.00 0.00 C ATOM 374 O LYS A 27 13.086 -2.262 2.581 1.00 0.00 O ATOM 375 CB LYS A 27 15.643 -2.497 0.905 1.00 0.00 C ATOM 376 CG LYS A 27 16.423 -1.203 1.059 1.00 0.00 C ATOM 377 CD LYS A 27 17.859 -1.465 1.481 1.00 0.00 C ATOM 378 CE LYS A 27 18.578 -0.175 1.844 1.00 0.00 C ATOM 379 NZ LYS A 27 18.958 0.607 0.635 1.00 0.00 N ATOM 0 H LYS A 27 13.842 -4.558 1.640 1.00 0.00 H new ATOM 0 HA LYS A 27 16.182 -3.226 2.854 1.00 0.00 H new ATOM 0 HB2 LYS A 27 16.228 -3.195 0.307 1.00 0.00 H new ATOM 0 HB3 LYS A 27 14.726 -2.295 0.352 1.00 0.00 H new ATOM 0 HG2 LYS A 27 16.414 -0.657 0.116 1.00 0.00 H new ATOM 0 HG3 LYS A 27 15.935 -0.569 1.799 1.00 0.00 H new ATOM 0 HD2 LYS A 27 17.870 -2.142 2.335 1.00 0.00 H new ATOM 0 HD3 LYS A 27 18.392 -1.964 0.672 1.00 0.00 H new ATOM 0 HE2 LYS A 27 17.935 0.432 2.482 1.00 0.00 H new ATOM 0 HE3 LYS A 27 19.472 -0.408 2.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 19.127 1.598 0.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 19.824 0.207 0.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 18.188 0.563 -0.063 1.00 0.00 H new ATOM 393 N SER A 28 14.684 -1.663 4.048 1.00 0.00 N ATOM 394 CA SER A 28 13.793 -0.825 4.843 1.00 0.00 C ATOM 395 C SER A 28 13.309 0.374 4.033 1.00 0.00 C ATOM 396 O SER A 28 14.080 1.283 3.729 1.00 0.00 O ATOM 397 CB SER A 28 14.506 -0.345 6.109 1.00 0.00 C ATOM 398 OG SER A 28 15.665 0.403 5.789 1.00 0.00 O ATOM 0 H SER A 28 15.646 -1.696 4.386 1.00 0.00 H new ATOM 0 HA SER A 28 12.927 -1.424 5.126 1.00 0.00 H new ATOM 0 HB2 SER A 28 13.827 0.267 6.703 1.00 0.00 H new ATOM 0 HB3 SER A 28 14.781 -1.203 6.723 1.00 0.00 H new ATOM 0 HG SER A 28 15.525 0.877 4.943 1.00 0.00 H new ATOM 404 N ARG A 29 12.025 0.367 3.688 1.00 0.00 N ATOM 405 CA ARG A 29 11.437 1.452 2.912 1.00 0.00 C ATOM 406 C ARG A 29 10.118 1.908 3.529 1.00 0.00 C ATOM 407 O ARG A 29 9.299 1.087 3.944 1.00 0.00 O ATOM 408 CB ARG A 29 11.210 1.009 1.466 1.00 0.00 C ATOM 409 CG ARG A 29 12.492 0.882 0.659 1.00 0.00 C ATOM 410 CD ARG A 29 13.039 2.245 0.265 1.00 0.00 C ATOM 411 NE ARG A 29 14.480 2.210 0.032 1.00 0.00 N ATOM 412 CZ ARG A 29 15.029 1.853 -1.124 1.00 0.00 C ATOM 413 NH1 ARG A 29 14.262 1.504 -2.147 1.00 0.00 N ATOM 414 NH2 ARG A 29 16.349 1.847 -1.259 1.00 0.00 N ATOM 0 H ARG A 29 11.373 -0.378 3.934 1.00 0.00 H new ATOM 0 HA ARG A 29 12.133 2.291 2.922 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.694 0.049 1.466 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.551 1.725 0.975 1.00 0.00 H new ATOM 0 HG2 ARG A 29 13.239 0.344 1.243 1.00 0.00 H new ATOM 0 HG3 ARG A 29 12.302 0.292 -0.238 1.00 0.00 H new ATOM 0 HD2 ARG A 29 12.534 2.591 -0.637 1.00 0.00 H new ATOM 0 HD3 ARG A 29 12.816 2.966 1.052 1.00 0.00 H new ATOM 0 HE ARG A 29 15.099 2.474 0.799 1.00 0.00 H new ATOM 0 HH11 ARG A 29 13.247 1.509 -2.048 1.00 0.00 H new ATOM 0 HH12 ARG A 29 14.687 1.231 -3.033 1.00 0.00 H new ATOM 0 HH21 ARG A 29 16.943 2.117 -0.475 1.00 0.00 H new ATOM 0 HH22 ARG A 29 16.770 1.573 -2.147 1.00 0.00 H new ATOM 428 N TRP A 30 9.920 3.219 3.586 1.00 0.00 N ATOM 429 CA TRP A 30 8.700 3.784 4.153 1.00 0.00 C ATOM 430 C TRP A 30 7.591 3.844 3.108 1.00 0.00 C ATOM 431 O TRP A 30 7.813 4.278 1.977 1.00 0.00 O ATOM 432 CB TRP A 30 8.971 5.184 4.707 1.00 0.00 C ATOM 433 CG TRP A 30 7.725 5.988 4.926 1.00 0.00 C ATOM 434 CD1 TRP A 30 7.219 6.955 4.104 1.00 0.00 C ATOM 435 CD2 TRP A 30 6.830 5.895 6.039 1.00 0.00 C ATOM 436 NE1 TRP A 30 6.063 7.469 4.641 1.00 0.00 N ATOM 437 CE2 TRP A 30 5.803 6.835 5.827 1.00 0.00 C ATOM 438 CE3 TRP A 30 6.795 5.109 7.194 1.00 0.00 C ATOM 439 CZ2 TRP A 30 4.755 7.008 6.727 1.00 0.00 C ATOM 440 CZ3 TRP A 30 5.755 5.282 8.087 1.00 0.00 C ATOM 441 CH2 TRP A 30 4.746 6.225 7.849 1.00 0.00 C ATOM 0 H TRP A 30 10.588 3.912 3.247 1.00 0.00 H new ATOM 0 HA TRP A 30 8.373 3.136 4.966 1.00 0.00 H new ATOM 0 HB2 TRP A 30 9.508 5.095 5.651 1.00 0.00 H new ATOM 0 HB3 TRP A 30 9.624 5.720 4.018 1.00 0.00 H new ATOM 0 HD1 TRP A 30 7.662 7.269 3.170 1.00 0.00 H new ATOM 0 HE1 TRP A 30 5.491 8.204 4.224 1.00 0.00 H new ATOM 0 HE3 TRP A 30 7.568 4.379 7.385 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 3.977 7.735 6.546 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 5.719 4.681 8.983 1.00 0.00 H new ATOM 0 HH2 TRP A 30 3.945 6.336 8.565 1.00 0.00 H new ATOM 452 N PHE A 31 6.397 3.405 3.493 1.00 0.00 N ATOM 453 CA PHE A 31 5.254 3.408 2.588 1.00 0.00 C ATOM 454 C PHE A 31 4.101 4.220 3.172 1.00 0.00 C ATOM 455 O PHE A 31 3.841 4.174 4.374 1.00 0.00 O ATOM 456 CB PHE A 31 4.794 1.976 2.308 1.00 0.00 C ATOM 457 CG PHE A 31 5.740 1.203 1.434 1.00 0.00 C ATOM 458 CD1 PHE A 31 6.943 0.734 1.938 1.00 0.00 C ATOM 459 CD2 PHE A 31 5.426 0.944 0.110 1.00 0.00 C ATOM 460 CE1 PHE A 31 7.815 0.023 1.135 1.00 0.00 C ATOM 461 CE2 PHE A 31 6.294 0.233 -0.697 1.00 0.00 C ATOM 462 CZ PHE A 31 7.490 -0.229 -0.183 1.00 0.00 C ATOM 0 H PHE A 31 6.196 3.043 4.425 1.00 0.00 H new ATOM 0 HA PHE A 31 5.565 3.872 1.652 1.00 0.00 H new ATOM 0 HB2 PHE A 31 4.674 1.450 3.255 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.813 2.004 1.833 1.00 0.00 H new ATOM 0 HD1 PHE A 31 7.202 0.926 2.969 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.492 1.302 -0.297 1.00 0.00 H new ATOM 0 HE1 PHE A 31 8.750 -0.335 1.539 1.00 0.00 H new ATOM 0 HE2 PHE A 31 6.038 0.039 -1.728 1.00 0.00 H new ATOM 0 HZ PHE A 31 8.170 -0.786 -0.811 1.00 0.00 H new ATOM 472 N PHE A 32 3.412 4.962 2.311 1.00 0.00 N ATOM 473 CA PHE A 32 2.288 5.786 2.740 1.00 0.00 C ATOM 474 C PHE A 32 1.264 5.935 1.619 1.00 0.00 C ATOM 475 O PHE A 32 1.623 6.111 0.454 1.00 0.00 O ATOM 476 CB PHE A 32 2.779 7.165 3.185 1.00 0.00 C ATOM 477 CG PHE A 32 3.153 8.065 2.042 1.00 0.00 C ATOM 478 CD1 PHE A 32 2.188 8.812 1.386 1.00 0.00 C ATOM 479 CD2 PHE A 32 4.471 8.164 1.624 1.00 0.00 C ATOM 480 CE1 PHE A 32 2.530 9.641 0.334 1.00 0.00 C ATOM 481 CE2 PHE A 32 4.818 8.992 0.574 1.00 0.00 C ATOM 482 CZ PHE A 32 3.846 9.731 -0.073 1.00 0.00 C ATOM 0 H PHE A 32 3.612 5.009 1.312 1.00 0.00 H new ATOM 0 HA PHE A 32 1.808 5.290 3.583 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.000 7.646 3.776 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.643 7.041 3.837 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.157 8.746 1.700 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.235 7.588 2.125 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.768 10.218 -0.169 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.849 9.062 0.259 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.115 10.377 -0.895 1.00 0.00 H new ATOM 492 N TYR A 33 -0.013 5.863 1.978 1.00 0.00 N ATOM 493 CA TYR A 33 -1.090 5.987 1.003 1.00 0.00 C ATOM 494 C TYR A 33 -1.473 7.449 0.798 1.00 0.00 C ATOM 495 O TYR A 33 -1.328 8.273 1.701 1.00 0.00 O ATOM 496 CB TYR A 33 -2.312 5.186 1.457 1.00 0.00 C ATOM 497 CG TYR A 33 -3.561 5.484 0.659 1.00 0.00 C ATOM 498 CD1 TYR A 33 -4.270 6.663 0.855 1.00 0.00 C ATOM 499 CD2 TYR A 33 -4.033 4.586 -0.291 1.00 0.00 C ATOM 500 CE1 TYR A 33 -5.412 6.939 0.129 1.00 0.00 C ATOM 501 CE2 TYR A 33 -5.173 4.855 -1.023 1.00 0.00 C ATOM 502 CZ TYR A 33 -5.860 6.032 -0.809 1.00 0.00 C ATOM 503 OH TYR A 33 -6.997 6.302 -1.535 1.00 0.00 O ATOM 0 H TYR A 33 -0.328 5.719 2.938 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.734 5.587 0.053 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.087 4.122 1.381 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.504 5.397 2.509 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.922 7.376 1.588 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.499 3.662 -0.460 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -5.951 7.860 0.295 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.525 4.147 -1.759 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.045 5.697 -2.305 1.00 0.00 H new ATOM 513 N ASP A 34 -1.964 7.763 -0.396 1.00 0.00 N ATOM 514 CA ASP A 34 -2.371 9.125 -0.722 1.00 0.00 C ATOM 515 C ASP A 34 -3.870 9.194 -0.993 1.00 0.00 C ATOM 516 O ASP A 34 -4.414 8.379 -1.737 1.00 0.00 O ATOM 517 CB ASP A 34 -1.596 9.635 -1.938 1.00 0.00 C ATOM 518 CG ASP A 34 -1.490 11.147 -1.965 1.00 0.00 C ATOM 519 OD1 ASP A 34 -1.116 11.734 -0.929 1.00 0.00 O ATOM 520 OD2 ASP A 34 -1.784 11.743 -3.023 1.00 0.00 O ATOM 0 H ASP A 34 -2.090 7.093 -1.154 1.00 0.00 H new ATOM 0 HA ASP A 34 -2.145 9.760 0.135 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -0.595 9.204 -1.934 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -2.087 9.292 -2.848 1.00 0.00 H new ATOM 525 N GLU A 35 -4.533 10.172 -0.382 1.00 0.00 N ATOM 526 CA GLU A 35 -5.970 10.345 -0.557 1.00 0.00 C ATOM 527 C GLU A 35 -6.265 11.436 -1.583 1.00 0.00 C ATOM 528 O GLU A 35 -7.357 12.005 -1.603 1.00 0.00 O ATOM 529 CB GLU A 35 -6.630 10.694 0.778 1.00 0.00 C ATOM 530 CG GLU A 35 -5.997 11.884 1.478 1.00 0.00 C ATOM 531 CD GLU A 35 -6.611 12.157 2.838 1.00 0.00 C ATOM 532 OE1 GLU A 35 -7.763 11.730 3.064 1.00 0.00 O ATOM 533 OE2 GLU A 35 -5.941 12.796 3.675 1.00 0.00 O ATOM 0 H GLU A 35 -4.098 10.855 0.238 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.382 9.404 -0.923 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.686 10.903 0.608 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.579 9.827 1.436 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.928 11.705 1.596 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.105 12.769 0.851 1.00 0.00 H new ATOM 540 N ARG A 36 -5.285 11.722 -2.433 1.00 0.00 N ATOM 541 CA ARG A 36 -5.438 12.745 -3.460 1.00 0.00 C ATOM 542 C ARG A 36 -5.571 12.112 -4.842 1.00 0.00 C ATOM 543 O ARG A 36 -6.442 12.487 -5.628 1.00 0.00 O ATOM 544 CB ARG A 36 -4.246 13.703 -3.439 1.00 0.00 C ATOM 545 CG ARG A 36 -3.990 14.326 -2.076 1.00 0.00 C ATOM 546 CD ARG A 36 -3.312 15.682 -2.202 1.00 0.00 C ATOM 547 NE ARG A 36 -3.553 16.525 -1.034 1.00 0.00 N ATOM 548 CZ ARG A 36 -3.162 17.791 -0.949 1.00 0.00 C ATOM 549 NH1 ARG A 36 -2.515 18.358 -1.958 1.00 0.00 N ATOM 550 NH2 ARG A 36 -3.418 18.494 0.148 1.00 0.00 N ATOM 0 H ARG A 36 -4.376 11.259 -2.431 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.348 13.305 -3.246 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.353 13.165 -3.757 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.416 14.497 -4.166 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.934 14.438 -1.543 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -3.365 13.659 -1.481 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.239 15.540 -2.332 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.677 16.188 -3.096 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.049 16.119 -0.240 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.316 17.821 -2.802 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.216 19.331 -1.890 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.915 18.061 0.926 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.117 19.467 0.212 1.00 0.00 H new ATOM 564 N LYS A 37 -4.701 11.151 -5.133 1.00 0.00 N ATOM 565 CA LYS A 37 -4.720 10.464 -6.419 1.00 0.00 C ATOM 566 C LYS A 37 -5.072 8.990 -6.244 1.00 0.00 C ATOM 567 O LYS A 37 -4.950 8.198 -7.179 1.00 0.00 O ATOM 568 CB LYS A 37 -3.362 10.597 -7.111 1.00 0.00 C ATOM 569 CG LYS A 37 -2.886 12.033 -7.247 1.00 0.00 C ATOM 570 CD LYS A 37 -1.547 12.111 -7.961 1.00 0.00 C ATOM 571 CE LYS A 37 -0.743 13.320 -7.507 1.00 0.00 C ATOM 572 NZ LYS A 37 -0.151 13.117 -6.156 1.00 0.00 N ATOM 0 H LYS A 37 -3.973 10.830 -4.495 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.485 10.930 -7.040 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.620 10.029 -6.549 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.423 10.148 -8.102 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.627 12.612 -7.797 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.799 12.484 -6.258 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.978 11.201 -7.769 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.710 12.164 -9.037 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.052 13.518 -8.226 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.387 14.200 -7.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.523 13.883 -5.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -0.907 13.122 -5.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.345 12.203 -6.128 1.00 0.00 H new ATOM 586 N CYS A 38 -5.509 8.630 -5.043 1.00 0.00 N ATOM 587 CA CYS A 38 -5.879 7.251 -4.746 1.00 0.00 C ATOM 588 C CYS A 38 -4.753 6.293 -5.120 1.00 0.00 C ATOM 589 O CYS A 38 -4.991 5.241 -5.712 1.00 0.00 O ATOM 590 CB CYS A 38 -7.158 6.871 -5.495 1.00 0.00 C ATOM 591 SG CYS A 38 -8.680 7.385 -4.665 1.00 0.00 S ATOM 0 H CYS A 38 -5.616 9.274 -4.259 1.00 0.00 H new ATOM 0 HA CYS A 38 -6.058 7.172 -3.674 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.130 7.317 -6.489 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -7.179 5.790 -5.632 1.00 0.00 H new ATOM 0 HG CYS A 38 -9.706 7.021 -5.376 1.00 0.00 H new ATOM 597 N GLN A 39 -3.526 6.666 -4.771 1.00 0.00 N ATOM 598 CA GLN A 39 -2.362 5.841 -5.073 1.00 0.00 C ATOM 599 C GLN A 39 -1.518 5.613 -3.823 1.00 0.00 C ATOM 600 O GLN A 39 -1.696 6.288 -2.809 1.00 0.00 O ATOM 601 CB GLN A 39 -1.514 6.497 -6.163 1.00 0.00 C ATOM 602 CG GLN A 39 -1.993 6.193 -7.573 1.00 0.00 C ATOM 603 CD GLN A 39 -1.113 6.820 -8.636 1.00 0.00 C ATOM 604 OE1 GLN A 39 -1.013 8.044 -8.734 1.00 0.00 O ATOM 605 NE2 GLN A 39 -0.469 5.983 -9.441 1.00 0.00 N ATOM 0 H GLN A 39 -3.312 7.534 -4.279 1.00 0.00 H new ATOM 0 HA GLN A 39 -2.716 4.875 -5.432 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -1.516 7.577 -6.013 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -0.482 6.163 -6.059 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.019 5.113 -7.719 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.014 6.555 -7.692 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -0.581 4.976 -9.324 1.00 0.00 H new ATOM 0 HE22 GLN A 39 0.137 6.347 -10.176 1.00 0.00 H new ATOM 614 N LEU A 40 -0.599 4.657 -3.902 1.00 0.00 N ATOM 615 CA LEU A 40 0.273 4.339 -2.777 1.00 0.00 C ATOM 616 C LEU A 40 1.690 4.848 -3.026 1.00 0.00 C ATOM 617 O LEU A 40 2.418 4.305 -3.857 1.00 0.00 O ATOM 618 CB LEU A 40 0.297 2.828 -2.536 1.00 0.00 C ATOM 619 CG LEU A 40 1.202 2.344 -1.403 1.00 0.00 C ATOM 620 CD1 LEU A 40 0.713 2.874 -0.065 1.00 0.00 C ATOM 621 CD2 LEU A 40 1.267 0.823 -1.385 1.00 0.00 C ATOM 0 H LEU A 40 -0.438 4.089 -4.734 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.122 4.836 -1.891 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.721 2.497 -2.328 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.609 2.338 -3.458 1.00 0.00 H new ATOM 0 HG LEU A 40 2.207 2.729 -1.577 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.370 2.519 0.729 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.720 3.964 -0.081 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.302 2.520 0.118 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.916 0.496 -0.572 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.266 0.418 -1.236 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.666 0.465 -2.334 1.00 0.00 H new ATOM 633 N TYR A 41 2.074 5.890 -2.298 1.00 0.00 N ATOM 634 CA TYR A 41 3.403 6.473 -2.439 1.00 0.00 C ATOM 635 C TYR A 41 4.318 6.022 -1.305 1.00 0.00 C ATOM 636 O TYR A 41 3.951 6.089 -0.132 1.00 0.00 O ATOM 637 CB TYR A 41 3.314 8.000 -2.462 1.00 0.00 C ATOM 638 CG TYR A 41 2.659 8.550 -3.709 1.00 0.00 C ATOM 639 CD1 TYR A 41 1.277 8.558 -3.846 1.00 0.00 C ATOM 640 CD2 TYR A 41 3.424 9.062 -4.750 1.00 0.00 C ATOM 641 CE1 TYR A 41 0.675 9.060 -4.984 1.00 0.00 C ATOM 642 CE2 TYR A 41 2.831 9.567 -5.891 1.00 0.00 C ATOM 643 CZ TYR A 41 1.457 9.563 -6.004 1.00 0.00 C ATOM 644 OH TYR A 41 0.861 10.064 -7.138 1.00 0.00 O ATOM 0 H TYR A 41 1.484 6.349 -1.604 1.00 0.00 H new ATOM 0 HA TYR A 41 3.826 6.127 -3.382 1.00 0.00 H new ATOM 0 HB2 TYR A 41 2.754 8.336 -1.589 1.00 0.00 H new ATOM 0 HB3 TYR A 41 4.318 8.415 -2.376 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.662 8.165 -3.050 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.501 9.065 -4.666 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -0.401 9.059 -5.075 1.00 0.00 H new ATOM 0 HE2 TYR A 41 3.440 9.963 -6.690 1.00 0.00 H new ATOM 0 HH TYR A 41 0.297 9.373 -7.544 1.00 0.00 H new ATOM 654 N TYR A 42 5.512 5.564 -1.665 1.00 0.00 N ATOM 655 CA TYR A 42 6.481 5.100 -0.679 1.00 0.00 C ATOM 656 C TYR A 42 7.853 5.718 -0.930 1.00 0.00 C ATOM 657 O TYR A 42 8.263 5.902 -2.077 1.00 0.00 O ATOM 658 CB TYR A 42 6.583 3.574 -0.712 1.00 0.00 C ATOM 659 CG TYR A 42 7.333 3.043 -1.912 1.00 0.00 C ATOM 660 CD1 TYR A 42 8.722 3.007 -1.928 1.00 0.00 C ATOM 661 CD2 TYR A 42 6.653 2.579 -3.032 1.00 0.00 C ATOM 662 CE1 TYR A 42 9.412 2.523 -3.023 1.00 0.00 C ATOM 663 CE2 TYR A 42 7.335 2.093 -4.130 1.00 0.00 C ATOM 664 CZ TYR A 42 8.714 2.067 -4.122 1.00 0.00 C ATOM 665 OH TYR A 42 9.396 1.584 -5.215 1.00 0.00 O ATOM 0 H TYR A 42 5.832 5.504 -2.632 1.00 0.00 H new ATOM 0 HA TYR A 42 6.136 5.413 0.306 1.00 0.00 H new ATOM 0 HB2 TYR A 42 7.079 3.232 0.196 1.00 0.00 H new ATOM 0 HB3 TYR A 42 5.578 3.151 -0.706 1.00 0.00 H new ATOM 0 HD1 TYR A 42 9.272 3.364 -1.070 1.00 0.00 H new ATOM 0 HD2 TYR A 42 5.573 2.599 -3.044 1.00 0.00 H new ATOM 0 HE1 TYR A 42 10.492 2.502 -3.018 1.00 0.00 H new ATOM 0 HE2 TYR A 42 6.791 1.735 -4.991 1.00 0.00 H new ATOM 0 HH TYR A 42 8.756 1.302 -5.902 1.00 0.00 H new ATOM 675 N SER A 43 8.559 6.036 0.150 1.00 0.00 N ATOM 676 CA SER A 43 9.884 6.637 0.048 1.00 0.00 C ATOM 677 C SER A 43 10.839 6.020 1.065 1.00 0.00 C ATOM 678 O SER A 43 10.479 5.090 1.787 1.00 0.00 O ATOM 679 CB SER A 43 9.799 8.149 0.263 1.00 0.00 C ATOM 680 OG SER A 43 9.304 8.454 1.555 1.00 0.00 O ATOM 0 H SER A 43 8.236 5.888 1.106 1.00 0.00 H new ATOM 0 HA SER A 43 10.270 6.441 -0.953 1.00 0.00 H new ATOM 0 HB2 SER A 43 10.786 8.594 0.134 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.149 8.591 -0.492 1.00 0.00 H new ATOM 0 HG SER A 43 9.949 8.158 2.231 1.00 0.00 H new ATOM 686 N ARG A 44 12.059 6.545 1.115 1.00 0.00 N ATOM 687 CA ARG A 44 13.068 6.046 2.042 1.00 0.00 C ATOM 688 C ARG A 44 12.674 6.342 3.486 1.00 0.00 C ATOM 689 O ARG A 44 12.940 5.548 4.389 1.00 0.00 O ATOM 690 CB ARG A 44 14.429 6.674 1.735 1.00 0.00 C ATOM 691 CG ARG A 44 14.793 6.648 0.259 1.00 0.00 C ATOM 692 CD ARG A 44 15.687 7.820 -0.115 1.00 0.00 C ATOM 693 NE ARG A 44 17.102 7.511 0.075 1.00 0.00 N ATOM 694 CZ ARG A 44 18.087 8.213 -0.472 1.00 0.00 C ATOM 695 NH1 ARG A 44 17.814 9.259 -1.239 1.00 0.00 N ATOM 696 NH2 ARG A 44 19.350 7.870 -0.252 1.00 0.00 N ATOM 0 H ARG A 44 12.373 7.315 0.525 1.00 0.00 H new ATOM 0 HA ARG A 44 13.137 4.965 1.916 1.00 0.00 H new ATOM 0 HB2 ARG A 44 14.430 7.707 2.083 1.00 0.00 H new ATOM 0 HB3 ARG A 44 15.198 6.147 2.300 1.00 0.00 H new ATOM 0 HG2 ARG A 44 15.301 5.712 0.025 1.00 0.00 H new ATOM 0 HG3 ARG A 44 13.884 6.676 -0.342 1.00 0.00 H new ATOM 0 HD2 ARG A 44 15.512 8.092 -1.156 1.00 0.00 H new ATOM 0 HD3 ARG A 44 15.421 8.687 0.490 1.00 0.00 H new ATOM 0 HE ARG A 44 17.347 6.712 0.660 1.00 0.00 H new ATOM 0 HH11 ARG A 44 16.845 9.527 -1.410 1.00 0.00 H new ATOM 0 HH12 ARG A 44 18.573 9.796 -1.658 1.00 0.00 H new ATOM 0 HH21 ARG A 44 19.565 7.066 0.338 1.00 0.00 H new ATOM 0 HH22 ARG A 44 20.106 8.410 -0.673 1.00 0.00 H new ATOM 710 N THR A 45 12.037 7.490 3.697 1.00 0.00 N ATOM 711 CA THR A 45 11.607 7.892 5.030 1.00 0.00 C ATOM 712 C THR A 45 10.154 8.352 5.024 1.00 0.00 C ATOM 713 O THR A 45 9.476 8.284 3.999 1.00 0.00 O ATOM 714 CB THR A 45 12.490 9.024 5.588 1.00 0.00 C ATOM 715 OG1 THR A 45 12.169 10.260 4.941 1.00 0.00 O ATOM 716 CG2 THR A 45 13.965 8.708 5.387 1.00 0.00 C ATOM 0 H THR A 45 11.808 8.158 2.961 1.00 0.00 H new ATOM 0 HA THR A 45 11.705 7.016 5.671 1.00 0.00 H new ATOM 0 HB THR A 45 12.296 9.113 6.657 1.00 0.00 H new ATOM 0 HG1 THR A 45 12.734 10.975 5.303 1.00 0.00 H new ATOM 0 HG21 THR A 45 14.569 9.521 5.789 1.00 0.00 H new ATOM 0 HG22 THR A 45 14.213 7.782 5.905 1.00 0.00 H new ATOM 0 HG23 THR A 45 14.171 8.594 4.323 1.00 0.00 H new ATOM 787 N PRO A 51 8.183 11.401 -3.093 1.00 0.00 N ATOM 788 CA PRO A 51 8.117 9.937 -3.048 1.00 0.00 C ATOM 789 C PRO A 51 8.885 9.286 -4.194 1.00 0.00 C ATOM 790 O PRO A 51 8.787 9.717 -5.344 1.00 0.00 O ATOM 791 CB PRO A 51 6.619 9.646 -3.174 1.00 0.00 C ATOM 792 CG PRO A 51 6.062 10.829 -3.887 1.00 0.00 C ATOM 793 CD PRO A 51 6.887 12.006 -3.444 1.00 0.00 C ATOM 0 HA PRO A 51 8.568 9.536 -2.140 1.00 0.00 H new ATOM 0 HB2 PRO A 51 6.440 8.727 -3.732 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.157 9.520 -2.195 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.120 10.696 -4.967 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.010 10.974 -3.640 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.991 12.746 -4.238 1.00 0.00 H new ATOM 0 HD3 PRO A 51 6.437 12.514 -2.591 1.00 0.00 H new ATOM 801 N LEU A 52 9.648 8.247 -3.873 1.00 0.00 N ATOM 802 CA LEU A 52 10.433 7.536 -4.876 1.00 0.00 C ATOM 803 C LEU A 52 9.562 7.130 -6.061 1.00 0.00 C ATOM 804 O LEU A 52 9.905 7.393 -7.214 1.00 0.00 O ATOM 805 CB LEU A 52 11.083 6.297 -4.259 1.00 0.00 C ATOM 806 CG LEU A 52 12.089 6.556 -3.136 1.00 0.00 C ATOM 807 CD1 LEU A 52 12.660 5.244 -2.619 1.00 0.00 C ATOM 808 CD2 LEU A 52 13.204 7.472 -3.620 1.00 0.00 C ATOM 0 H LEU A 52 9.740 7.878 -2.926 1.00 0.00 H new ATOM 0 HA LEU A 52 11.213 8.208 -5.235 1.00 0.00 H new ATOM 0 HB2 LEU A 52 10.294 5.652 -3.872 1.00 0.00 H new ATOM 0 HB3 LEU A 52 11.587 5.743 -5.051 1.00 0.00 H new ATOM 0 HG LEU A 52 11.570 7.051 -2.315 1.00 0.00 H new ATOM 0 HD11 LEU A 52 13.374 5.447 -1.821 1.00 0.00 H new ATOM 0 HD12 LEU A 52 11.852 4.622 -2.234 1.00 0.00 H new ATOM 0 HD13 LEU A 52 13.164 4.721 -3.432 1.00 0.00 H new ATOM 0 HD21 LEU A 52 13.910 7.646 -2.808 1.00 0.00 H new ATOM 0 HD22 LEU A 52 13.721 7.004 -4.458 1.00 0.00 H new ATOM 0 HD23 LEU A 52 12.780 8.423 -3.941 1.00 0.00 H new ATOM 820 N ASP A 53 8.435 6.492 -5.769 1.00 0.00 N ATOM 821 CA ASP A 53 7.513 6.053 -6.811 1.00 0.00 C ATOM 822 C ASP A 53 6.140 5.740 -6.224 1.00 0.00 C ATOM 823 O ASP A 53 5.987 5.614 -5.010 1.00 0.00 O ATOM 824 CB ASP A 53 8.068 4.821 -7.527 1.00 0.00 C ATOM 825 CG ASP A 53 7.133 4.306 -8.603 1.00 0.00 C ATOM 826 OD1 ASP A 53 6.853 5.061 -9.557 1.00 0.00 O ATOM 827 OD2 ASP A 53 6.681 3.147 -8.490 1.00 0.00 O ATOM 0 H ASP A 53 8.137 6.267 -4.820 1.00 0.00 H new ATOM 0 HA ASP A 53 7.405 6.864 -7.531 1.00 0.00 H new ATOM 0 HB2 ASP A 53 9.031 5.068 -7.974 1.00 0.00 H new ATOM 0 HB3 ASP A 53 8.248 4.031 -6.798 1.00 0.00 H new ATOM 832 N SER A 54 5.144 5.617 -7.096 1.00 0.00 N ATOM 833 CA SER A 54 3.782 5.324 -6.664 1.00 0.00 C ATOM 834 C SER A 54 3.255 4.065 -7.346 1.00 0.00 C ATOM 835 O SER A 54 3.813 3.607 -8.344 1.00 0.00 O ATOM 836 CB SER A 54 2.862 6.507 -6.971 1.00 0.00 C ATOM 837 OG SER A 54 2.470 6.509 -8.332 1.00 0.00 O ATOM 0 H SER A 54 5.255 5.716 -8.105 1.00 0.00 H new ATOM 0 HA SER A 54 3.797 5.154 -5.587 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.978 6.459 -6.335 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.374 7.440 -6.735 1.00 0.00 H new ATOM 0 HG SER A 54 1.881 7.274 -8.502 1.00 0.00 H new ATOM 843 N ILE A 55 2.178 3.511 -6.801 1.00 0.00 N ATOM 844 CA ILE A 55 1.575 2.306 -7.356 1.00 0.00 C ATOM 845 C ILE A 55 0.054 2.412 -7.377 1.00 0.00 C ATOM 846 O ILE A 55 -0.570 2.739 -6.367 1.00 0.00 O ATOM 847 CB ILE A 55 1.980 1.054 -6.557 1.00 0.00 C ATOM 848 CG1 ILE A 55 3.502 0.906 -6.534 1.00 0.00 C ATOM 849 CG2 ILE A 55 1.330 -0.187 -7.151 1.00 0.00 C ATOM 850 CD1 ILE A 55 4.168 1.678 -5.417 1.00 0.00 C ATOM 0 H ILE A 55 1.705 3.878 -5.975 1.00 0.00 H new ATOM 0 HA ILE A 55 1.944 2.210 -8.377 1.00 0.00 H new ATOM 0 HB ILE A 55 1.630 1.168 -5.531 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.755 -0.150 -6.436 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.906 1.243 -7.489 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.626 -1.064 -6.575 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.246 -0.081 -7.119 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.652 -0.307 -8.185 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.246 1.526 -5.463 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.946 2.740 -5.526 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.792 1.325 -4.457 1.00 0.00 H new ATOM 862 N ASP A 56 -0.537 2.133 -8.534 1.00 0.00 N ATOM 863 CA ASP A 56 -1.986 2.194 -8.686 1.00 0.00 C ATOM 864 C ASP A 56 -2.658 1.029 -7.966 1.00 0.00 C ATOM 865 O ASP A 56 -2.595 -0.115 -8.419 1.00 0.00 O ATOM 866 CB ASP A 56 -2.366 2.180 -10.168 1.00 0.00 C ATOM 867 CG ASP A 56 -3.822 1.821 -10.390 1.00 0.00 C ATOM 868 OD1 ASP A 56 -4.191 0.655 -10.136 1.00 0.00 O ATOM 869 OD2 ASP A 56 -4.592 2.706 -10.816 1.00 0.00 O ATOM 0 H ASP A 56 -0.035 1.863 -9.380 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.334 3.125 -8.238 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.167 3.161 -10.600 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.734 1.465 -10.695 1.00 0.00 H new ATOM 874 N LEU A 57 -3.300 1.326 -6.842 1.00 0.00 N ATOM 875 CA LEU A 57 -3.984 0.304 -6.057 1.00 0.00 C ATOM 876 C LEU A 57 -5.294 -0.107 -6.721 1.00 0.00 C ATOM 877 O LEU A 57 -5.826 -1.184 -6.453 1.00 0.00 O ATOM 878 CB LEU A 57 -4.254 0.815 -4.641 1.00 0.00 C ATOM 879 CG LEU A 57 -3.025 1.226 -3.830 1.00 0.00 C ATOM 880 CD1 LEU A 57 -3.442 1.809 -2.488 1.00 0.00 C ATOM 881 CD2 LEU A 57 -2.095 0.039 -3.632 1.00 0.00 C ATOM 0 H LEU A 57 -3.361 2.267 -6.453 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.336 -0.571 -6.003 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.924 1.672 -4.707 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.784 0.038 -4.091 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.487 1.994 -4.386 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.554 2.096 -1.924 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.068 2.687 -2.651 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.003 1.063 -1.926 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.226 0.350 -3.053 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.623 -0.751 -3.098 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.769 -0.334 -4.603 1.00 0.00 H new ATOM 893 N SER A 58 -5.808 0.758 -7.589 1.00 0.00 N ATOM 894 CA SER A 58 -7.057 0.487 -8.291 1.00 0.00 C ATOM 895 C SER A 58 -7.123 -0.970 -8.738 1.00 0.00 C ATOM 896 O SER A 58 -7.987 -1.728 -8.296 1.00 0.00 O ATOM 897 CB SER A 58 -7.198 1.411 -9.502 1.00 0.00 C ATOM 898 OG SER A 58 -8.255 0.988 -10.346 1.00 0.00 O ATOM 0 H SER A 58 -5.379 1.653 -7.823 1.00 0.00 H new ATOM 0 HA SER A 58 -7.880 0.676 -7.602 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.383 2.431 -9.165 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.264 1.425 -10.063 1.00 0.00 H new ATOM 0 HG SER A 58 -8.326 1.596 -11.112 1.00 0.00 H new ATOM 904 N SER A 59 -6.204 -1.355 -9.618 1.00 0.00 N ATOM 905 CA SER A 59 -6.159 -2.720 -10.129 1.00 0.00 C ATOM 906 C SER A 59 -5.094 -3.537 -9.404 1.00 0.00 C ATOM 907 O SER A 59 -4.542 -4.488 -9.957 1.00 0.00 O ATOM 908 CB SER A 59 -5.879 -2.715 -11.633 1.00 0.00 C ATOM 909 OG SER A 59 -6.481 -3.830 -12.267 1.00 0.00 O ATOM 0 H SER A 59 -5.481 -0.741 -9.992 1.00 0.00 H new ATOM 0 HA SER A 59 -7.130 -3.181 -9.949 1.00 0.00 H new ATOM 0 HB2 SER A 59 -6.259 -1.793 -12.074 1.00 0.00 H new ATOM 0 HB3 SER A 59 -4.803 -2.731 -11.806 1.00 0.00 H new ATOM 0 HG SER A 59 -6.289 -3.803 -13.228 1.00 0.00 H new ATOM 915 N ALA A 60 -4.810 -3.158 -8.162 1.00 0.00 N ATOM 916 CA ALA A 60 -3.812 -3.855 -7.360 1.00 0.00 C ATOM 917 C ALA A 60 -4.473 -4.795 -6.357 1.00 0.00 C ATOM 918 O ALA A 60 -5.361 -4.392 -5.606 1.00 0.00 O ATOM 919 CB ALA A 60 -2.921 -2.854 -6.640 1.00 0.00 C ATOM 0 H ALA A 60 -5.257 -2.372 -7.690 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.197 -4.455 -8.031 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.180 -3.388 -6.045 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.414 -2.226 -7.372 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.530 -2.229 -5.986 1.00 0.00 H new ATOM 925 N VAL A 61 -4.035 -6.050 -6.351 1.00 0.00 N ATOM 926 CA VAL A 61 -4.584 -7.047 -5.440 1.00 0.00 C ATOM 927 C VAL A 61 -3.552 -7.469 -4.401 1.00 0.00 C ATOM 928 O VAL A 61 -2.474 -7.956 -4.742 1.00 0.00 O ATOM 929 CB VAL A 61 -5.070 -8.295 -6.201 1.00 0.00 C ATOM 930 CG1 VAL A 61 -4.134 -8.614 -7.357 1.00 0.00 C ATOM 931 CG2 VAL A 61 -5.189 -9.481 -5.257 1.00 0.00 C ATOM 0 H VAL A 61 -3.301 -6.400 -6.967 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.433 -6.583 -4.937 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.058 -8.087 -6.612 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.493 -9.499 -7.883 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.105 -7.769 -8.045 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.132 -8.803 -6.972 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.534 -10.354 -5.811 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.216 -9.693 -4.815 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -5.903 -9.247 -4.468 1.00 0.00 H new ATOM 941 N PHE A 62 -3.889 -7.280 -3.129 1.00 0.00 N ATOM 942 CA PHE A 62 -2.992 -7.641 -2.038 1.00 0.00 C ATOM 943 C PHE A 62 -3.157 -9.110 -1.661 1.00 0.00 C ATOM 944 O PHE A 62 -4.260 -9.564 -1.356 1.00 0.00 O ATOM 945 CB PHE A 62 -3.256 -6.757 -0.818 1.00 0.00 C ATOM 946 CG PHE A 62 -3.784 -5.395 -1.168 1.00 0.00 C ATOM 947 CD1 PHE A 62 -2.926 -4.391 -1.587 1.00 0.00 C ATOM 948 CD2 PHE A 62 -5.139 -5.118 -1.078 1.00 0.00 C ATOM 949 CE1 PHE A 62 -3.408 -3.137 -1.910 1.00 0.00 C ATOM 950 CE2 PHE A 62 -5.627 -3.866 -1.400 1.00 0.00 C ATOM 951 CZ PHE A 62 -4.761 -2.874 -1.815 1.00 0.00 C ATOM 0 H PHE A 62 -4.777 -6.879 -2.829 1.00 0.00 H new ATOM 0 HA PHE A 62 -1.968 -7.484 -2.377 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.970 -7.258 -0.164 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.331 -6.645 -0.253 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.867 -4.591 -1.662 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.821 -5.889 -0.753 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -2.728 -2.364 -2.236 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -6.685 -3.664 -1.327 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.141 -1.894 -2.065 1.00 0.00 H new ATOM 961 N ASP A 63 -2.053 -9.849 -1.685 1.00 0.00 N ATOM 962 CA ASP A 63 -2.074 -11.267 -1.345 1.00 0.00 C ATOM 963 C ASP A 63 -1.075 -11.574 -0.234 1.00 0.00 C ATOM 964 O ASP A 63 -0.192 -10.768 0.061 1.00 0.00 O ATOM 965 CB ASP A 63 -1.761 -12.113 -2.579 1.00 0.00 C ATOM 966 CG ASP A 63 -2.131 -13.571 -2.391 1.00 0.00 C ATOM 967 OD1 ASP A 63 -3.314 -13.851 -2.105 1.00 0.00 O ATOM 968 OD2 ASP A 63 -1.237 -14.433 -2.528 1.00 0.00 O ATOM 0 H ASP A 63 -1.132 -9.489 -1.936 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.073 -11.516 -0.988 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.301 -11.712 -3.437 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.698 -12.038 -2.807 1.00 0.00 H new ATOM 973 N CYS A 64 -1.220 -12.744 0.378 1.00 0.00 N ATOM 974 CA CYS A 64 -0.331 -13.158 1.458 1.00 0.00 C ATOM 975 C CYS A 64 0.616 -14.259 0.991 1.00 0.00 C ATOM 976 O CYS A 64 0.194 -15.233 0.368 1.00 0.00 O ATOM 977 CB CYS A 64 -1.144 -13.643 2.658 1.00 0.00 C ATOM 978 SG CYS A 64 -2.211 -15.060 2.303 1.00 0.00 S ATOM 0 H CYS A 64 -1.945 -13.423 0.145 1.00 0.00 H new ATOM 0 HA CYS A 64 0.264 -12.295 1.757 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -0.459 -13.910 3.463 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -1.760 -12.821 3.023 1.00 0.00 H new ATOM 0 HG CYS A 64 -1.692 -15.764 1.341 1.00 0.00 H new ATOM 984 N LYS A 65 1.899 -14.096 1.295 1.00 0.00 N ATOM 985 CA LYS A 65 2.908 -15.075 0.906 1.00 0.00 C ATOM 986 C LYS A 65 2.705 -16.390 1.652 1.00 0.00 C ATOM 987 O LYS A 65 1.800 -16.513 2.477 1.00 0.00 O ATOM 988 CB LYS A 65 4.310 -14.530 1.184 1.00 0.00 C ATOM 989 CG LYS A 65 4.906 -13.762 0.016 1.00 0.00 C ATOM 990 CD LYS A 65 5.524 -14.698 -1.010 1.00 0.00 C ATOM 991 CE LYS A 65 6.968 -15.028 -0.664 1.00 0.00 C ATOM 992 NZ LYS A 65 7.900 -13.944 -1.081 1.00 0.00 N ATOM 0 H LYS A 65 2.265 -13.295 1.810 1.00 0.00 H new ATOM 0 HA LYS A 65 2.803 -15.263 -0.162 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.271 -13.877 2.056 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.970 -15.360 1.437 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.131 -13.161 -0.459 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.665 -13.071 0.383 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.942 -15.618 -1.062 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.481 -14.237 -1.997 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.056 -15.189 0.410 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.254 -15.960 -1.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.874 -14.207 -0.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.835 -13.807 -2.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.643 -13.060 -0.597 1.00 0.00 H new ATOM 1006 N ALA A 66 3.554 -17.369 1.358 1.00 0.00 N ATOM 1007 CA ALA A 66 3.470 -18.673 2.004 1.00 0.00 C ATOM 1008 C ALA A 66 3.933 -18.598 3.454 1.00 0.00 C ATOM 1009 O ALA A 66 3.370 -19.255 4.330 1.00 0.00 O ATOM 1010 CB ALA A 66 4.295 -19.696 1.236 1.00 0.00 C ATOM 0 H ALA A 66 4.308 -17.284 0.676 1.00 0.00 H new ATOM 0 HA ALA A 66 2.426 -18.987 2.000 1.00 0.00 H new ATOM 0 HB1 ALA A 66 4.223 -20.665 1.729 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.916 -19.778 0.217 1.00 0.00 H new ATOM 0 HB3 ALA A 66 5.337 -19.378 1.211 1.00 0.00 H new ATOM 1016 N ASP A 67 4.962 -17.795 3.701 1.00 0.00 N ATOM 1017 CA ASP A 67 5.501 -17.634 5.047 1.00 0.00 C ATOM 1018 C ASP A 67 4.831 -16.467 5.765 1.00 0.00 C ATOM 1019 O ASP A 67 5.467 -15.757 6.543 1.00 0.00 O ATOM 1020 CB ASP A 67 7.013 -17.414 4.991 1.00 0.00 C ATOM 1021 CG ASP A 67 7.753 -18.616 4.436 1.00 0.00 C ATOM 1022 OD1 ASP A 67 7.571 -18.923 3.239 1.00 0.00 O ATOM 1023 OD2 ASP A 67 8.514 -19.247 5.198 1.00 0.00 O ATOM 0 H ASP A 67 5.440 -17.245 2.987 1.00 0.00 H new ATOM 0 HA ASP A 67 5.295 -18.547 5.606 1.00 0.00 H new ATOM 0 HB2 ASP A 67 7.228 -16.542 4.373 1.00 0.00 H new ATOM 0 HB3 ASP A 67 7.383 -17.194 5.993 1.00 0.00 H new ATOM 1028 N ALA A 68 3.544 -16.274 5.496 1.00 0.00 N ATOM 1029 CA ALA A 68 2.787 -15.193 6.116 1.00 0.00 C ATOM 1030 C ALA A 68 2.829 -15.297 7.637 1.00 0.00 C ATOM 1031 O ALA A 68 2.548 -14.328 8.342 1.00 0.00 O ATOM 1032 CB ALA A 68 1.348 -15.206 5.624 1.00 0.00 C ATOM 0 H ALA A 68 3.003 -16.852 4.853 1.00 0.00 H new ATOM 0 HA ALA A 68 3.248 -14.248 5.829 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.795 -14.394 6.095 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.332 -15.076 4.542 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.884 -16.158 5.882 1.00 0.00 H new ATOM 1038 N GLU A 69 3.182 -16.477 8.136 1.00 0.00 N ATOM 1039 CA GLU A 69 3.258 -16.706 9.574 1.00 0.00 C ATOM 1040 C GLU A 69 4.075 -15.613 10.256 1.00 0.00 C ATOM 1041 O GLU A 69 3.952 -15.392 11.460 1.00 0.00 O ATOM 1042 CB GLU A 69 3.877 -18.076 9.862 1.00 0.00 C ATOM 1043 CG GLU A 69 5.262 -18.256 9.264 1.00 0.00 C ATOM 1044 CD GLU A 69 6.127 -19.205 10.071 1.00 0.00 C ATOM 1045 OE1 GLU A 69 6.031 -20.430 9.847 1.00 0.00 O ATOM 1046 OE2 GLU A 69 6.899 -18.723 10.926 1.00 0.00 O ATOM 0 H GLU A 69 3.420 -17.289 7.566 1.00 0.00 H new ATOM 0 HA GLU A 69 2.245 -16.681 9.975 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.935 -18.220 10.941 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.218 -18.852 9.472 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.168 -18.633 8.246 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.755 -17.286 9.200 1.00 0.00 H new ATOM 1053 N GLU A 70 4.910 -14.933 9.477 1.00 0.00 N ATOM 1054 CA GLU A 70 5.749 -13.864 10.006 1.00 0.00 C ATOM 1055 C GLU A 70 5.129 -12.497 9.726 1.00 0.00 C ATOM 1056 O GLU A 70 5.223 -11.582 10.543 1.00 0.00 O ATOM 1057 CB GLU A 70 7.150 -13.935 9.397 1.00 0.00 C ATOM 1058 CG GLU A 70 7.921 -12.628 9.487 1.00 0.00 C ATOM 1059 CD GLU A 70 9.419 -12.825 9.366 1.00 0.00 C ATOM 1060 OE1 GLU A 70 9.996 -13.530 10.220 1.00 0.00 O ATOM 1061 OE2 GLU A 70 10.015 -12.273 8.417 1.00 0.00 O ATOM 0 H GLU A 70 5.024 -15.103 8.478 1.00 0.00 H new ATOM 0 HA GLU A 70 5.824 -13.996 11.085 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.717 -14.717 9.902 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.067 -14.227 8.350 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.582 -11.956 8.699 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.698 -12.143 10.437 1.00 0.00 H new ATOM 1068 N GLY A 71 4.497 -12.368 8.564 1.00 0.00 N ATOM 1069 CA GLY A 71 3.872 -11.111 8.196 1.00 0.00 C ATOM 1070 C GLY A 71 4.374 -10.581 6.867 1.00 0.00 C ATOM 1071 O GLY A 71 4.896 -9.468 6.792 1.00 0.00 O ATOM 0 H GLY A 71 4.407 -13.111 7.871 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.792 -11.247 8.145 1.00 0.00 H new ATOM 0 HA3 GLY A 71 4.063 -10.372 8.974 1.00 0.00 H new ATOM 1075 N ILE A 72 4.219 -11.380 5.817 1.00 0.00 N ATOM 1076 CA ILE A 72 4.661 -10.985 4.485 1.00 0.00 C ATOM 1077 C ILE A 72 3.505 -11.016 3.490 1.00 0.00 C ATOM 1078 O ILE A 72 2.695 -11.942 3.493 1.00 0.00 O ATOM 1079 CB ILE A 72 5.789 -11.899 3.972 1.00 0.00 C ATOM 1080 CG1 ILE A 72 6.837 -12.115 5.066 1.00 0.00 C ATOM 1081 CG2 ILE A 72 6.429 -11.303 2.728 1.00 0.00 C ATOM 1082 CD1 ILE A 72 6.447 -13.170 6.077 1.00 0.00 C ATOM 0 H ILE A 72 3.791 -12.305 5.863 1.00 0.00 H new ATOM 0 HA ILE A 72 5.039 -9.966 4.568 1.00 0.00 H new ATOM 0 HB ILE A 72 5.361 -12.866 3.709 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.781 -12.400 4.602 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.008 -11.172 5.585 1.00 0.00 H new ATOM 0 HG21 ILE A 72 7.224 -11.961 2.377 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.676 -11.196 1.947 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.846 -10.325 2.967 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.236 -13.269 6.822 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.519 -12.878 6.568 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.304 -14.124 5.570 1.00 0.00 H new ATOM 1094 N PHE A 73 3.437 -9.997 2.639 1.00 0.00 N ATOM 1095 CA PHE A 73 2.381 -9.908 1.638 1.00 0.00 C ATOM 1096 C PHE A 73 2.953 -9.515 0.279 1.00 0.00 C ATOM 1097 O PHE A 73 4.155 -9.293 0.141 1.00 0.00 O ATOM 1098 CB PHE A 73 1.323 -8.892 2.071 1.00 0.00 C ATOM 1099 CG PHE A 73 1.890 -7.544 2.415 1.00 0.00 C ATOM 1100 CD1 PHE A 73 2.601 -7.356 3.590 1.00 0.00 C ATOM 1101 CD2 PHE A 73 1.714 -6.466 1.563 1.00 0.00 C ATOM 1102 CE1 PHE A 73 3.123 -6.117 3.908 1.00 0.00 C ATOM 1103 CE2 PHE A 73 2.234 -5.224 1.877 1.00 0.00 C ATOM 1104 CZ PHE A 73 2.941 -5.050 3.050 1.00 0.00 C ATOM 0 H PHE A 73 4.100 -9.222 2.623 1.00 0.00 H new ATOM 0 HA PHE A 73 1.916 -10.890 1.548 1.00 0.00 H new ATOM 0 HB2 PHE A 73 0.593 -8.776 1.270 1.00 0.00 H new ATOM 0 HB3 PHE A 73 0.788 -9.283 2.936 1.00 0.00 H new ATOM 0 HD1 PHE A 73 2.748 -8.187 4.264 1.00 0.00 H new ATOM 0 HD2 PHE A 73 1.164 -6.597 0.643 1.00 0.00 H new ATOM 0 HE1 PHE A 73 3.673 -5.983 4.827 1.00 0.00 H new ATOM 0 HE2 PHE A 73 2.087 -4.391 1.205 1.00 0.00 H new ATOM 0 HZ PHE A 73 3.351 -4.082 3.296 1.00 0.00 H new ATOM 1114 N GLU A 74 2.081 -9.431 -0.722 1.00 0.00 N ATOM 1115 CA GLU A 74 2.500 -9.066 -2.070 1.00 0.00 C ATOM 1116 C GLU A 74 1.368 -8.371 -2.822 1.00 0.00 C ATOM 1117 O GLU A 74 0.236 -8.855 -2.845 1.00 0.00 O ATOM 1118 CB GLU A 74 2.952 -10.308 -2.841 1.00 0.00 C ATOM 1119 CG GLU A 74 4.400 -10.691 -2.584 1.00 0.00 C ATOM 1120 CD GLU A 74 4.764 -12.034 -3.187 1.00 0.00 C ATOM 1121 OE1 GLU A 74 3.877 -12.909 -3.263 1.00 0.00 O ATOM 1122 OE2 GLU A 74 5.936 -12.209 -3.581 1.00 0.00 O ATOM 0 H GLU A 74 1.082 -9.611 -0.624 1.00 0.00 H new ATOM 0 HA GLU A 74 3.338 -8.373 -1.988 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.310 -11.146 -2.571 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.815 -10.133 -3.908 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.054 -9.923 -2.996 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.579 -10.719 -1.509 1.00 0.00 H new ATOM 1129 N ILE A 75 1.683 -7.235 -3.434 1.00 0.00 N ATOM 1130 CA ILE A 75 0.693 -6.474 -4.186 1.00 0.00 C ATOM 1131 C ILE A 75 0.810 -6.748 -5.682 1.00 0.00 C ATOM 1132 O ILE A 75 1.736 -6.274 -6.341 1.00 0.00 O ATOM 1133 CB ILE A 75 0.840 -4.961 -3.940 1.00 0.00 C ATOM 1134 CG1 ILE A 75 0.868 -4.667 -2.439 1.00 0.00 C ATOM 1135 CG2 ILE A 75 -0.294 -4.202 -4.613 1.00 0.00 C ATOM 1136 CD1 ILE A 75 0.804 -3.191 -2.111 1.00 0.00 C ATOM 0 H ILE A 75 2.615 -6.821 -3.424 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.287 -6.797 -3.835 1.00 0.00 H new ATOM 0 HB ILE A 75 1.782 -4.627 -4.374 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.029 -5.174 -1.962 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.779 -5.087 -2.012 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.176 -3.134 -4.430 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.272 -4.391 -5.686 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.248 -4.537 -4.206 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.828 -3.057 -1.030 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.657 -2.681 -2.559 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.119 -2.770 -2.508 1.00 0.00 H new ATOM 1148 N LYS A 76 -0.137 -7.514 -6.213 1.00 0.00 N ATOM 1149 CA LYS A 76 -0.143 -7.850 -7.632 1.00 0.00 C ATOM 1150 C LYS A 76 -0.848 -6.768 -8.444 1.00 0.00 C ATOM 1151 O LYS A 76 -2.024 -6.476 -8.221 1.00 0.00 O ATOM 1152 CB LYS A 76 -0.831 -9.199 -7.855 1.00 0.00 C ATOM 1153 CG LYS A 76 0.124 -10.380 -7.828 1.00 0.00 C ATOM 1154 CD LYS A 76 -0.558 -11.636 -7.314 1.00 0.00 C ATOM 1155 CE LYS A 76 -0.417 -11.769 -5.805 1.00 0.00 C ATOM 1156 NZ LYS A 76 -0.872 -13.101 -5.320 1.00 0.00 N ATOM 0 H LYS A 76 -0.911 -7.914 -5.682 1.00 0.00 H new ATOM 0 HA LYS A 76 0.892 -7.917 -7.968 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.592 -9.340 -7.088 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.346 -9.181 -8.816 1.00 0.00 H new ATOM 0 HG2 LYS A 76 0.511 -10.559 -8.831 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.979 -10.144 -7.194 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -1.615 -11.613 -7.581 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.125 -12.511 -7.799 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.625 -11.616 -5.523 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.998 -10.987 -5.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.324 -13.370 -4.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.882 -13.055 -5.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.729 -13.810 -6.067 1.00 0.00 H new ATOM 1170 N THR A 77 -0.123 -6.176 -9.388 1.00 0.00 N ATOM 1171 CA THR A 77 -0.679 -5.126 -10.233 1.00 0.00 C ATOM 1172 C THR A 77 -0.412 -5.409 -11.707 1.00 0.00 C ATOM 1173 O THR A 77 0.532 -6.111 -12.069 1.00 0.00 O ATOM 1174 CB THR A 77 -0.097 -3.747 -9.873 1.00 0.00 C ATOM 1175 OG1 THR A 77 1.326 -3.835 -9.741 1.00 0.00 O ATOM 1176 CG2 THR A 77 -0.700 -3.227 -8.576 1.00 0.00 C ATOM 0 H THR A 77 0.851 -6.406 -9.587 1.00 0.00 H new ATOM 0 HA THR A 77 -1.755 -5.114 -10.056 1.00 0.00 H new ATOM 0 HB THR A 77 -0.345 -3.052 -10.675 1.00 0.00 H new ATOM 0 HG1 THR A 77 1.643 -4.660 -10.165 1.00 0.00 H new ATOM 0 HG21 THR A 77 -0.274 -2.252 -8.342 1.00 0.00 H new ATOM 0 HG22 THR A 77 -1.780 -3.133 -8.689 1.00 0.00 H new ATOM 0 HG23 THR A 77 -0.479 -3.923 -7.767 1.00 0.00 H new ATOM 1184 N PRO A 78 -1.262 -4.849 -12.581 1.00 0.00 N ATOM 1185 CA PRO A 78 -1.137 -5.026 -14.031 1.00 0.00 C ATOM 1186 C PRO A 78 0.078 -4.302 -14.600 1.00 0.00 C ATOM 1187 O PRO A 78 0.299 -4.298 -15.811 1.00 0.00 O ATOM 1188 CB PRO A 78 -2.429 -4.411 -14.576 1.00 0.00 C ATOM 1189 CG PRO A 78 -2.845 -3.424 -13.540 1.00 0.00 C ATOM 1190 CD PRO A 78 -2.410 -4.000 -12.221 1.00 0.00 C ATOM 0 HA PRO A 78 -0.998 -6.072 -14.304 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -2.262 -3.928 -15.539 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -3.195 -5.171 -14.729 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -2.379 -2.454 -13.715 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -3.924 -3.268 -13.561 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -2.126 -3.219 -11.515 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -3.206 -4.579 -11.753 1.00 0.00 H new ATOM 1198 N SER A 79 0.865 -3.692 -13.719 1.00 0.00 N ATOM 1199 CA SER A 79 2.057 -2.963 -14.135 1.00 0.00 C ATOM 1200 C SER A 79 3.320 -3.657 -13.636 1.00 0.00 C ATOM 1201 O SER A 79 4.257 -3.891 -14.401 1.00 0.00 O ATOM 1202 CB SER A 79 2.010 -1.526 -13.611 1.00 0.00 C ATOM 1203 OG SER A 79 3.287 -0.916 -13.682 1.00 0.00 O ATOM 0 H SER A 79 0.698 -3.688 -12.713 1.00 0.00 H new ATOM 0 HA SER A 79 2.080 -2.945 -15.225 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.294 -0.946 -14.193 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.659 -1.523 -12.579 1.00 0.00 H new ATOM 0 HG SER A 79 3.230 0.002 -13.343 1.00 0.00 H new ATOM 1209 N ARG A 80 3.339 -3.985 -12.348 1.00 0.00 N ATOM 1210 CA ARG A 80 4.487 -4.651 -11.746 1.00 0.00 C ATOM 1211 C ARG A 80 4.132 -5.206 -10.369 1.00 0.00 C ATOM 1212 O ARG A 80 3.677 -4.473 -9.491 1.00 0.00 O ATOM 1213 CB ARG A 80 5.663 -3.681 -11.629 1.00 0.00 C ATOM 1214 CG ARG A 80 5.381 -2.486 -10.733 1.00 0.00 C ATOM 1215 CD ARG A 80 6.558 -1.524 -10.699 1.00 0.00 C ATOM 1216 NE ARG A 80 6.719 -0.811 -11.963 1.00 0.00 N ATOM 1217 CZ ARG A 80 7.394 0.327 -12.084 1.00 0.00 C ATOM 1218 NH1 ARG A 80 7.967 0.878 -11.023 1.00 0.00 N ATOM 1219 NH2 ARG A 80 7.496 0.916 -13.269 1.00 0.00 N ATOM 0 H ARG A 80 2.572 -3.800 -11.702 1.00 0.00 H new ATOM 0 HA ARG A 80 4.774 -5.481 -12.391 1.00 0.00 H new ATOM 0 HB2 ARG A 80 6.529 -4.218 -11.242 1.00 0.00 H new ATOM 0 HB3 ARG A 80 5.928 -3.324 -12.624 1.00 0.00 H new ATOM 0 HG2 ARG A 80 4.493 -1.964 -11.090 1.00 0.00 H new ATOM 0 HG3 ARG A 80 5.163 -2.831 -9.722 1.00 0.00 H new ATOM 0 HD2 ARG A 80 6.415 -0.805 -9.893 1.00 0.00 H new ATOM 0 HD3 ARG A 80 7.471 -2.076 -10.475 1.00 0.00 H new ATOM 0 HE ARG A 80 6.290 -1.208 -12.799 1.00 0.00 H new ATOM 0 HH11 ARG A 80 7.890 0.428 -10.111 1.00 0.00 H new ATOM 0 HH12 ARG A 80 8.485 1.752 -11.119 1.00 0.00 H new ATOM 0 HH21 ARG A 80 7.056 0.495 -14.087 1.00 0.00 H new ATOM 0 HH22 ARG A 80 8.014 1.790 -13.361 1.00 0.00 H new ATOM 1233 N VAL A 81 4.344 -6.506 -10.188 1.00 0.00 N ATOM 1234 CA VAL A 81 4.048 -7.159 -8.919 1.00 0.00 C ATOM 1235 C VAL A 81 5.082 -6.796 -7.859 1.00 0.00 C ATOM 1236 O VAL A 81 6.263 -7.116 -7.995 1.00 0.00 O ATOM 1237 CB VAL A 81 4.004 -8.691 -9.073 1.00 0.00 C ATOM 1238 CG1 VAL A 81 3.692 -9.353 -7.740 1.00 0.00 C ATOM 1239 CG2 VAL A 81 2.983 -9.091 -10.128 1.00 0.00 C ATOM 0 H VAL A 81 4.720 -7.127 -10.904 1.00 0.00 H new ATOM 0 HA VAL A 81 3.067 -6.804 -8.602 1.00 0.00 H new ATOM 0 HB VAL A 81 4.985 -9.034 -9.401 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.665 -10.435 -7.869 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.463 -9.093 -7.015 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.724 -9.006 -7.379 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.965 -10.177 -10.224 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.996 -8.737 -9.832 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.256 -8.647 -11.085 1.00 0.00 H new ATOM 1249 N ILE A 82 4.630 -6.126 -6.805 1.00 0.00 N ATOM 1250 CA ILE A 82 5.516 -5.720 -5.721 1.00 0.00 C ATOM 1251 C ILE A 82 5.377 -6.650 -4.520 1.00 0.00 C ATOM 1252 O ILE A 82 4.322 -7.247 -4.301 1.00 0.00 O ATOM 1253 CB ILE A 82 5.231 -4.275 -5.272 1.00 0.00 C ATOM 1254 CG1 ILE A 82 5.314 -3.321 -6.466 1.00 0.00 C ATOM 1255 CG2 ILE A 82 6.209 -3.855 -4.184 1.00 0.00 C ATOM 1256 CD1 ILE A 82 6.700 -3.218 -7.063 1.00 0.00 C ATOM 0 H ILE A 82 3.656 -5.853 -6.678 1.00 0.00 H new ATOM 0 HA ILE A 82 6.534 -5.778 -6.107 1.00 0.00 H new ATOM 0 HB ILE A 82 4.221 -4.230 -4.863 1.00 0.00 H new ATOM 0 HG12 ILE A 82 4.619 -3.655 -7.237 1.00 0.00 H new ATOM 0 HG13 ILE A 82 4.988 -2.329 -6.152 1.00 0.00 H new ATOM 0 HG21 ILE A 82 5.994 -2.831 -3.877 1.00 0.00 H new ATOM 0 HG22 ILE A 82 6.107 -4.520 -3.326 1.00 0.00 H new ATOM 0 HG23 ILE A 82 7.227 -3.913 -4.568 1.00 0.00 H new ATOM 0 HD11 ILE A 82 6.683 -2.525 -7.904 1.00 0.00 H new ATOM 0 HD12 ILE A 82 7.396 -2.854 -6.307 1.00 0.00 H new ATOM 0 HD13 ILE A 82 7.021 -4.201 -7.409 1.00 0.00 H new ATOM 1268 N THR A 83 6.448 -6.767 -3.741 1.00 0.00 N ATOM 1269 CA THR A 83 6.446 -7.623 -2.562 1.00 0.00 C ATOM 1270 C THR A 83 6.888 -6.852 -1.323 1.00 0.00 C ATOM 1271 O THR A 83 8.050 -6.464 -1.202 1.00 0.00 O ATOM 1272 CB THR A 83 7.369 -8.841 -2.750 1.00 0.00 C ATOM 1273 OG1 THR A 83 7.047 -9.515 -3.972 1.00 0.00 O ATOM 1274 CG2 THR A 83 7.236 -9.807 -1.582 1.00 0.00 C ATOM 0 H THR A 83 7.328 -6.279 -3.906 1.00 0.00 H new ATOM 0 HA THR A 83 5.422 -7.970 -2.425 1.00 0.00 H new ATOM 0 HB THR A 83 8.399 -8.486 -2.791 1.00 0.00 H new ATOM 0 HG1 THR A 83 6.791 -10.441 -3.777 1.00 0.00 H new ATOM 0 HG21 THR A 83 7.898 -10.659 -1.738 1.00 0.00 H new ATOM 0 HG22 THR A 83 7.510 -9.299 -0.657 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.205 -10.155 -1.514 1.00 0.00 H new ATOM 1282 N LEU A 84 5.954 -6.634 -0.404 1.00 0.00 N ATOM 1283 CA LEU A 84 6.247 -5.909 0.828 1.00 0.00 C ATOM 1284 C LEU A 84 5.831 -6.722 2.050 1.00 0.00 C ATOM 1285 O LEU A 84 4.849 -7.464 2.012 1.00 0.00 O ATOM 1286 CB LEU A 84 5.529 -4.559 0.832 1.00 0.00 C ATOM 1287 CG LEU A 84 5.599 -3.758 -0.468 1.00 0.00 C ATOM 1288 CD1 LEU A 84 4.824 -2.455 -0.336 1.00 0.00 C ATOM 1289 CD2 LEU A 84 7.046 -3.483 -0.849 1.00 0.00 C ATOM 0 H LEU A 84 4.987 -6.949 -0.488 1.00 0.00 H new ATOM 0 HA LEU A 84 7.323 -5.741 0.874 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.480 -4.729 1.075 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.947 -3.950 1.634 1.00 0.00 H new ATOM 0 HG LEU A 84 5.142 -4.350 -1.261 1.00 0.00 H new ATOM 0 HD11 LEU A 84 4.886 -1.899 -1.271 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.780 -2.674 -0.112 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.251 -1.858 0.470 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.076 -2.912 -1.777 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.529 -2.912 -0.056 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.572 -4.428 -0.988 1.00 0.00 H new ATOM 1301 N LYS A 85 6.585 -6.578 3.135 1.00 0.00 N ATOM 1302 CA LYS A 85 6.294 -7.295 4.370 1.00 0.00 C ATOM 1303 C LYS A 85 6.027 -6.322 5.514 1.00 0.00 C ATOM 1304 O LYS A 85 6.496 -5.185 5.497 1.00 0.00 O ATOM 1305 CB LYS A 85 7.459 -8.219 4.734 1.00 0.00 C ATOM 1306 CG LYS A 85 8.568 -7.525 5.506 1.00 0.00 C ATOM 1307 CD LYS A 85 9.741 -8.457 5.757 1.00 0.00 C ATOM 1308 CE LYS A 85 10.560 -8.012 6.959 1.00 0.00 C ATOM 1309 NZ LYS A 85 11.663 -8.965 7.262 1.00 0.00 N ATOM 0 H LYS A 85 7.403 -5.970 3.183 1.00 0.00 H new ATOM 0 HA LYS A 85 5.398 -7.895 4.210 1.00 0.00 H new ATOM 0 HB2 LYS A 85 7.080 -9.051 5.328 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.875 -8.643 3.820 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.909 -6.652 4.949 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.179 -7.164 6.458 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.373 -9.470 5.921 1.00 0.00 H new ATOM 0 HD3 LYS A 85 10.378 -8.488 4.873 1.00 0.00 H new ATOM 0 HE2 LYS A 85 10.977 -7.023 6.768 1.00 0.00 H new ATOM 0 HE3 LYS A 85 9.909 -7.922 7.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 12.197 -8.626 8.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 11.264 -9.903 7.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 12.299 -9.032 6.442 1.00 0.00 H new ATOM 1323 N ALA A 86 5.271 -6.778 6.508 1.00 0.00 N ATOM 1324 CA ALA A 86 4.944 -5.949 7.662 1.00 0.00 C ATOM 1325 C ALA A 86 5.669 -6.437 8.911 1.00 0.00 C ATOM 1326 O ALA A 86 6.380 -7.442 8.876 1.00 0.00 O ATOM 1327 CB ALA A 86 3.441 -5.936 7.893 1.00 0.00 C ATOM 0 H ALA A 86 4.874 -7.717 6.537 1.00 0.00 H new ATOM 0 HA ALA A 86 5.277 -4.932 7.454 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.211 -5.313 8.758 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.941 -5.533 7.012 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.092 -6.952 8.075 1.00 0.00 H new ATOM 1333 N ALA A 87 5.486 -5.719 10.014 1.00 0.00 N ATOM 1334 CA ALA A 87 6.122 -6.080 11.275 1.00 0.00 C ATOM 1335 C ALA A 87 5.722 -7.487 11.709 1.00 0.00 C ATOM 1336 O ALA A 87 6.539 -8.408 11.695 1.00 0.00 O ATOM 1337 CB ALA A 87 5.763 -5.071 12.355 1.00 0.00 C ATOM 0 H ALA A 87 4.902 -4.884 10.060 1.00 0.00 H new ATOM 0 HA ALA A 87 7.202 -6.067 11.125 1.00 0.00 H new ATOM 0 HB1 ALA A 87 6.245 -5.353 13.291 1.00 0.00 H new ATOM 0 HB2 ALA A 87 6.105 -4.080 12.055 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.682 -5.056 12.494 1.00 0.00 H new ATOM 1343 N THR A 88 4.460 -7.646 12.095 1.00 0.00 N ATOM 1344 CA THR A 88 3.952 -8.939 12.534 1.00 0.00 C ATOM 1345 C THR A 88 2.862 -9.449 11.598 1.00 0.00 C ATOM 1346 O THR A 88 2.549 -8.816 10.590 1.00 0.00 O ATOM 1347 CB THR A 88 3.390 -8.865 13.966 1.00 0.00 C ATOM 1348 OG1 THR A 88 2.197 -8.073 13.984 1.00 0.00 O ATOM 1349 CG2 THR A 88 4.415 -8.268 14.919 1.00 0.00 C ATOM 0 H THR A 88 3.771 -6.894 12.112 1.00 0.00 H new ATOM 0 HA THR A 88 4.794 -9.631 12.517 1.00 0.00 H new ATOM 0 HB THR A 88 3.158 -9.878 14.294 1.00 0.00 H new ATOM 0 HG1 THR A 88 1.845 -8.032 14.898 1.00 0.00 H new ATOM 0 HG21 THR A 88 3.996 -8.226 15.924 1.00 0.00 H new ATOM 0 HG22 THR A 88 5.311 -8.889 14.925 1.00 0.00 H new ATOM 0 HG23 THR A 88 4.674 -7.261 14.591 1.00 0.00 H new ATOM 1357 N LYS A 89 2.286 -10.596 11.939 1.00 0.00 N ATOM 1358 CA LYS A 89 1.228 -11.191 11.131 1.00 0.00 C ATOM 1359 C LYS A 89 -0.022 -10.317 11.141 1.00 0.00 C ATOM 1360 O LYS A 89 -0.679 -10.146 10.115 1.00 0.00 O ATOM 1361 CB LYS A 89 0.889 -12.591 11.648 1.00 0.00 C ATOM 1362 CG LYS A 89 -0.289 -13.233 10.936 1.00 0.00 C ATOM 1363 CD LYS A 89 0.159 -14.026 9.719 1.00 0.00 C ATOM 1364 CE LYS A 89 -0.973 -14.873 9.158 1.00 0.00 C ATOM 1365 NZ LYS A 89 -1.108 -16.168 9.882 1.00 0.00 N ATOM 0 H LYS A 89 2.534 -11.133 12.770 1.00 0.00 H new ATOM 0 HA LYS A 89 1.588 -11.267 10.105 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.763 -13.232 11.537 1.00 0.00 H new ATOM 0 HB3 LYS A 89 0.670 -12.532 12.714 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -0.817 -13.891 11.626 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -0.994 -12.461 10.629 1.00 0.00 H new ATOM 0 HD2 LYS A 89 0.519 -13.342 8.950 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.996 -14.669 9.990 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -1.909 -14.319 9.227 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -0.793 -15.065 8.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -1.890 -16.716 9.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -0.223 -16.708 9.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -1.305 -15.985 10.887 1.00 0.00 H new ATOM 1379 N GLN A 90 -0.343 -9.766 12.307 1.00 0.00 N ATOM 1380 CA GLN A 90 -1.514 -8.909 12.450 1.00 0.00 C ATOM 1381 C GLN A 90 -1.277 -7.551 11.797 1.00 0.00 C ATOM 1382 O GLN A 90 -2.223 -6.830 11.482 1.00 0.00 O ATOM 1383 CB GLN A 90 -1.860 -8.724 13.928 1.00 0.00 C ATOM 1384 CG GLN A 90 -3.348 -8.559 14.189 1.00 0.00 C ATOM 1385 CD GLN A 90 -3.636 -7.742 15.433 1.00 0.00 C ATOM 1386 OE1 GLN A 90 -3.511 -6.517 15.427 1.00 0.00 O ATOM 1387 NE2 GLN A 90 -4.025 -8.416 16.508 1.00 0.00 N ATOM 0 H GLN A 90 0.191 -9.898 13.166 1.00 0.00 H new ATOM 0 HA GLN A 90 -2.351 -9.393 11.947 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -1.495 -9.585 14.488 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -1.334 -7.849 14.309 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -3.813 -8.079 13.328 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -3.806 -9.543 14.291 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -4.115 -9.431 16.468 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -4.234 -7.919 17.374 1.00 0.00 H new ATOM 1396 N ALA A 91 -0.009 -7.209 11.598 1.00 0.00 N ATOM 1397 CA ALA A 91 0.352 -5.938 10.981 1.00 0.00 C ATOM 1398 C ALA A 91 -0.137 -5.870 9.538 1.00 0.00 C ATOM 1399 O ALA A 91 -0.975 -5.036 9.196 1.00 0.00 O ATOM 1400 CB ALA A 91 1.858 -5.731 11.040 1.00 0.00 C ATOM 0 H ALA A 91 0.786 -7.794 11.855 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.135 -5.140 11.541 1.00 0.00 H new ATOM 0 HB1 ALA A 91 2.113 -4.778 10.576 1.00 0.00 H new ATOM 0 HB2 ALA A 91 2.184 -5.727 12.080 1.00 0.00 H new ATOM 0 HB3 ALA A 91 2.358 -6.540 10.507 1.00 0.00 H new ATOM 1406 N MET A 92 0.392 -6.751 8.697 1.00 0.00 N ATOM 1407 CA MET A 92 0.009 -6.790 7.290 1.00 0.00 C ATOM 1408 C MET A 92 -1.509 -6.804 7.141 1.00 0.00 C ATOM 1409 O MET A 92 -2.073 -6.044 6.353 1.00 0.00 O ATOM 1410 CB MET A 92 0.611 -8.020 6.609 1.00 0.00 C ATOM 1411 CG MET A 92 0.300 -9.325 7.325 1.00 0.00 C ATOM 1412 SD MET A 92 -1.222 -10.093 6.739 1.00 0.00 S ATOM 1413 CE MET A 92 -0.720 -11.809 6.641 1.00 0.00 C ATOM 0 H MET A 92 1.087 -7.448 8.964 1.00 0.00 H new ATOM 0 HA MET A 92 0.396 -5.892 6.809 1.00 0.00 H new ATOM 0 HB2 MET A 92 0.238 -8.078 5.587 1.00 0.00 H new ATOM 0 HB3 MET A 92 1.692 -7.898 6.547 1.00 0.00 H new ATOM 0 HG2 MET A 92 1.129 -10.018 7.185 1.00 0.00 H new ATOM 0 HG3 MET A 92 0.219 -9.137 8.396 1.00 0.00 H new ATOM 0 HE1 MET A 92 -0.656 -12.110 5.595 1.00 0.00 H new ATOM 0 HE2 MET A 92 0.254 -11.931 7.114 1.00 0.00 H new ATOM 0 HE3 MET A 92 -1.453 -12.432 7.154 1.00 0.00 H new ATOM 1423 N LEU A 93 -2.166 -7.673 7.902 1.00 0.00 N ATOM 1424 CA LEU A 93 -3.620 -7.786 7.855 1.00 0.00 C ATOM 1425 C LEU A 93 -4.273 -6.407 7.844 1.00 0.00 C ATOM 1426 O LEU A 93 -5.240 -6.173 7.118 1.00 0.00 O ATOM 1427 CB LEU A 93 -4.127 -8.594 9.050 1.00 0.00 C ATOM 1428 CG LEU A 93 -3.666 -10.050 9.120 1.00 0.00 C ATOM 1429 CD1 LEU A 93 -4.039 -10.664 10.461 1.00 0.00 C ATOM 1430 CD2 LEU A 93 -4.266 -10.856 7.977 1.00 0.00 C ATOM 0 H LEU A 93 -1.715 -8.310 8.559 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.890 -8.303 6.934 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.812 -8.090 9.964 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.217 -8.579 9.037 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.581 -10.072 9.022 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -3.703 -11.700 10.493 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.561 -10.103 11.264 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -5.121 -10.629 10.589 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.927 -11.890 8.043 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.354 -10.826 8.042 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -3.948 -10.430 7.025 1.00 0.00 H new ATOM 1442 N TYR A 94 -3.738 -5.499 8.652 1.00 0.00 N ATOM 1443 CA TYR A 94 -4.269 -4.143 8.735 1.00 0.00 C ATOM 1444 C TYR A 94 -4.079 -3.401 7.416 1.00 0.00 C ATOM 1445 O TYR A 94 -4.962 -2.668 6.971 1.00 0.00 O ATOM 1446 CB TYR A 94 -3.586 -3.375 9.868 1.00 0.00 C ATOM 1447 CG TYR A 94 -3.782 -1.878 9.788 1.00 0.00 C ATOM 1448 CD1 TYR A 94 -5.030 -1.307 10.007 1.00 0.00 C ATOM 1449 CD2 TYR A 94 -2.718 -1.033 9.494 1.00 0.00 C ATOM 1450 CE1 TYR A 94 -5.213 0.060 9.934 1.00 0.00 C ATOM 1451 CE2 TYR A 94 -2.892 0.335 9.420 1.00 0.00 C ATOM 1452 CZ TYR A 94 -4.141 0.877 9.640 1.00 0.00 C ATOM 1453 OH TYR A 94 -4.319 2.240 9.568 1.00 0.00 O ATOM 0 H TYR A 94 -2.938 -5.677 9.259 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.337 -4.210 8.942 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -3.972 -3.733 10.823 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.518 -3.595 9.853 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -5.871 -1.943 10.238 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -1.739 -1.454 9.320 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -6.190 0.487 10.106 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -2.054 0.977 9.191 1.00 0.00 H new ATOM 0 HH TYR A 94 -3.465 2.670 9.353 1.00 0.00 H new ATOM 1463 N TRP A 95 -2.921 -3.598 6.796 1.00 0.00 N ATOM 1464 CA TRP A 95 -2.615 -2.949 5.526 1.00 0.00 C ATOM 1465 C TRP A 95 -3.516 -3.473 4.414 1.00 0.00 C ATOM 1466 O TRP A 95 -4.206 -2.703 3.745 1.00 0.00 O ATOM 1467 CB TRP A 95 -1.147 -3.172 5.157 1.00 0.00 C ATOM 1468 CG TRP A 95 -0.234 -2.107 5.685 1.00 0.00 C ATOM 1469 CD1 TRP A 95 0.447 -2.125 6.869 1.00 0.00 C ATOM 1470 CD2 TRP A 95 0.096 -0.868 5.049 1.00 0.00 C ATOM 1471 NE1 TRP A 95 1.181 -0.971 7.006 1.00 0.00 N ATOM 1472 CE2 TRP A 95 0.983 -0.184 5.903 1.00 0.00 C ATOM 1473 CE3 TRP A 95 -0.269 -0.271 3.839 1.00 0.00 C ATOM 1474 CZ2 TRP A 95 1.507 1.066 5.585 1.00 0.00 C ATOM 1475 CZ3 TRP A 95 0.251 0.970 3.525 1.00 0.00 C ATOM 1476 CH2 TRP A 95 1.132 1.628 4.394 1.00 0.00 C ATOM 0 H TRP A 95 -2.179 -4.201 7.151 1.00 0.00 H new ATOM 0 HA TRP A 95 -2.796 -1.880 5.641 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -0.826 -4.140 5.542 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -1.055 -3.214 4.072 1.00 0.00 H new ATOM 0 HD1 TRP A 95 0.414 -2.928 7.591 1.00 0.00 H new ATOM 0 HE1 TRP A 95 1.777 -0.738 7.801 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.945 -0.771 3.162 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 2.185 1.574 6.254 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -0.026 1.441 2.594 1.00 0.00 H new ATOM 0 HH2 TRP A 95 1.523 2.597 4.119 1.00 0.00 H new ATOM 1487 N LEU A 96 -3.508 -4.788 4.222 1.00 0.00 N ATOM 1488 CA LEU A 96 -4.326 -5.416 3.190 1.00 0.00 C ATOM 1489 C LEU A 96 -5.794 -5.037 3.354 1.00 0.00 C ATOM 1490 O LEU A 96 -6.477 -4.728 2.378 1.00 0.00 O ATOM 1491 CB LEU A 96 -4.171 -6.937 3.244 1.00 0.00 C ATOM 1492 CG LEU A 96 -2.740 -7.462 3.368 1.00 0.00 C ATOM 1493 CD1 LEU A 96 -2.733 -8.981 3.440 1.00 0.00 C ATOM 1494 CD2 LEU A 96 -1.891 -6.977 2.202 1.00 0.00 C ATOM 0 H LEU A 96 -2.944 -5.440 4.767 1.00 0.00 H new ATOM 0 HA LEU A 96 -3.983 -5.056 2.220 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.748 -7.311 4.089 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.615 -7.360 2.343 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.309 -7.073 4.291 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.706 -9.336 3.528 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -3.305 -9.307 4.309 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -3.182 -9.390 2.535 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.876 -7.360 2.307 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.319 -7.336 1.266 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.869 -5.887 2.197 1.00 0.00 H new ATOM 1506 N GLN A 97 -6.271 -5.061 4.595 1.00 0.00 N ATOM 1507 CA GLN A 97 -7.658 -4.718 4.886 1.00 0.00 C ATOM 1508 C GLN A 97 -7.920 -3.238 4.624 1.00 0.00 C ATOM 1509 O GLN A 97 -8.839 -2.882 3.887 1.00 0.00 O ATOM 1510 CB GLN A 97 -7.996 -5.058 6.338 1.00 0.00 C ATOM 1511 CG GLN A 97 -9.363 -4.560 6.778 1.00 0.00 C ATOM 1512 CD GLN A 97 -10.463 -5.572 6.522 1.00 0.00 C ATOM 1513 OE1 GLN A 97 -10.199 -6.760 6.338 1.00 0.00 O ATOM 1514 NE2 GLN A 97 -11.706 -5.104 6.508 1.00 0.00 N ATOM 0 H GLN A 97 -5.718 -5.314 5.414 1.00 0.00 H new ATOM 0 HA GLN A 97 -8.296 -5.304 4.225 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -7.953 -6.139 6.468 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -7.235 -4.628 6.989 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -9.334 -4.322 7.841 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -9.596 -3.635 6.250 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -11.879 -4.111 6.665 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -12.488 -5.737 6.340 1.00 0.00 H new ATOM 1523 N GLN A 98 -7.106 -2.382 5.233 1.00 0.00 N ATOM 1524 CA GLN A 98 -7.251 -0.941 5.066 1.00 0.00 C ATOM 1525 C GLN A 98 -7.116 -0.546 3.599 1.00 0.00 C ATOM 1526 O GLN A 98 -8.049 -0.009 3.001 1.00 0.00 O ATOM 1527 CB GLN A 98 -6.207 -0.201 5.904 1.00 0.00 C ATOM 1528 CG GLN A 98 -6.629 0.019 7.348 1.00 0.00 C ATOM 1529 CD GLN A 98 -8.056 0.517 7.469 1.00 0.00 C ATOM 1530 OE1 GLN A 98 -9.005 -0.411 7.513 1.00 0.00 O flip ATOM 1531 NE2 GLN A 98 -8.302 1.722 7.521 1.00 0.00 N flip ATOM 0 H GLN A 98 -6.340 -2.661 5.846 1.00 0.00 H new ATOM 0 HA GLN A 98 -8.247 -0.660 5.409 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -5.275 -0.766 5.889 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -6.002 0.765 5.443 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -6.526 -0.916 7.899 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -5.956 0.739 7.814 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -7.541 2.400 7.484 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -9.267 2.043 7.601 1.00 0.00 H new ATOM 1540 N LEU A 99 -5.948 -0.815 3.025 1.00 0.00 N ATOM 1541 CA LEU A 99 -5.690 -0.488 1.627 1.00 0.00 C ATOM 1542 C LEU A 99 -6.956 -0.640 0.789 1.00 0.00 C ATOM 1543 O LEU A 99 -7.321 0.259 0.032 1.00 0.00 O ATOM 1544 CB LEU A 99 -4.584 -1.385 1.069 1.00 0.00 C ATOM 1545 CG LEU A 99 -3.153 -0.997 1.440 1.00 0.00 C ATOM 1546 CD1 LEU A 99 -2.181 -2.096 1.040 1.00 0.00 C ATOM 1547 CD2 LEU A 99 -2.770 0.321 0.783 1.00 0.00 C ATOM 0 H LEU A 99 -5.165 -1.258 3.506 1.00 0.00 H new ATOM 0 HA LEU A 99 -5.366 0.552 1.576 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -4.763 -2.404 1.412 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.666 -1.395 -0.018 1.00 0.00 H new ATOM 0 HG LEU A 99 -3.101 -0.870 2.521 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -1.167 -1.802 1.312 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.442 -3.019 1.558 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.236 -2.256 -0.037 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -1.748 0.581 1.058 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.840 0.221 -0.300 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.448 1.106 1.120 1.00 0.00 H new ATOM 1559 N GLN A 100 -7.621 -1.781 0.934 1.00 0.00 N ATOM 1560 CA GLN A 100 -8.847 -2.049 0.191 1.00 0.00 C ATOM 1561 C GLN A 100 -9.857 -0.922 0.382 1.00 0.00 C ATOM 1562 O GLN A 100 -10.360 -0.356 -0.588 1.00 0.00 O ATOM 1563 CB GLN A 100 -9.458 -3.379 0.637 1.00 0.00 C ATOM 1564 CG GLN A 100 -8.957 -4.575 -0.156 1.00 0.00 C ATOM 1565 CD GLN A 100 -9.840 -5.796 0.010 1.00 0.00 C ATOM 1566 OE1 GLN A 100 -10.647 -6.117 -0.862 1.00 0.00 O ATOM 1567 NE2 GLN A 100 -9.691 -6.486 1.135 1.00 0.00 N ATOM 0 H GLN A 100 -7.332 -2.534 1.558 1.00 0.00 H new ATOM 0 HA GLN A 100 -8.595 -2.110 -0.868 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -9.237 -3.535 1.693 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -10.542 -3.320 0.544 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -8.905 -4.310 -1.212 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -7.943 -4.818 0.162 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -9.010 -6.185 1.832 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -10.258 -7.317 1.302 1.00 0.00 H new ATOM 1576 N MET A 101 -10.148 -0.602 1.639 1.00 0.00 N ATOM 1577 CA MET A 101 -11.098 0.458 1.956 1.00 0.00 C ATOM 1578 C MET A 101 -10.994 1.600 0.950 1.00 0.00 C ATOM 1579 O MET A 101 -12.006 2.115 0.474 1.00 0.00 O ATOM 1580 CB MET A 101 -10.851 0.986 3.371 1.00 0.00 C ATOM 1581 CG MET A 101 -11.138 -0.036 4.459 1.00 0.00 C ATOM 1582 SD MET A 101 -12.848 -0.608 4.442 1.00 0.00 S ATOM 1583 CE MET A 101 -12.666 -2.192 3.626 1.00 0.00 C ATOM 0 H MET A 101 -9.740 -1.061 2.453 1.00 0.00 H new ATOM 0 HA MET A 101 -12.103 0.040 1.902 1.00 0.00 H new ATOM 0 HB2 MET A 101 -9.814 1.310 3.453 1.00 0.00 H new ATOM 0 HB3 MET A 101 -11.474 1.865 3.536 1.00 0.00 H new ATOM 0 HG2 MET A 101 -10.472 -0.890 4.334 1.00 0.00 H new ATOM 0 HG3 MET A 101 -10.915 0.403 5.432 1.00 0.00 H new ATOM 0 HE1 MET A 101 -13.477 -2.328 2.910 1.00 0.00 H new ATOM 0 HE2 MET A 101 -11.710 -2.224 3.103 1.00 0.00 H new ATOM 0 HE3 MET A 101 -12.700 -2.990 4.368 1.00 0.00 H new ATOM 1593 N LYS A 102 -9.765 1.991 0.630 1.00 0.00 N ATOM 1594 CA LYS A 102 -9.529 3.071 -0.321 1.00 0.00 C ATOM 1595 C LYS A 102 -10.011 2.684 -1.715 1.00 0.00 C ATOM 1596 O LYS A 102 -10.785 3.410 -2.339 1.00 0.00 O ATOM 1597 CB LYS A 102 -8.040 3.423 -0.364 1.00 0.00 C ATOM 1598 CG LYS A 102 -7.426 3.637 1.009 1.00 0.00 C ATOM 1599 CD LYS A 102 -7.841 4.972 1.604 1.00 0.00 C ATOM 1600 CE LYS A 102 -7.027 5.306 2.844 1.00 0.00 C ATOM 1601 NZ LYS A 102 -7.667 4.786 4.084 1.00 0.00 N ATOM 0 H LYS A 102 -8.917 1.576 1.015 1.00 0.00 H new ATOM 0 HA LYS A 102 -10.093 3.943 0.010 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -7.501 2.624 -0.873 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -7.906 4.327 -0.958 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -7.732 2.830 1.675 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -6.339 3.593 0.933 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -7.713 5.759 0.860 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -8.900 4.944 1.859 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -6.027 4.883 2.747 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -6.910 6.387 2.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -7.082 5.034 4.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -8.611 5.208 4.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -7.756 3.752 4.021 1.00 0.00 H new ATOM 1615 N ARG A 103 -9.550 1.534 -2.198 1.00 0.00 N ATOM 1616 CA ARG A 103 -9.934 1.051 -3.519 1.00 0.00 C ATOM 1617 C ARG A 103 -11.402 0.636 -3.539 1.00 0.00 C ATOM 1618 O ARG A 103 -12.211 1.215 -4.264 1.00 0.00 O ATOM 1619 CB ARG A 103 -9.053 -0.130 -3.929 1.00 0.00 C ATOM 1620 CG ARG A 103 -9.544 -0.853 -5.173 1.00 0.00 C ATOM 1621 CD ARG A 103 -8.945 -2.246 -5.281 1.00 0.00 C ATOM 1622 NE ARG A 103 -9.834 -3.173 -5.975 1.00 0.00 N ATOM 1623 CZ ARG A 103 -9.529 -4.443 -6.217 1.00 0.00 C ATOM 1624 NH1 ARG A 103 -8.363 -4.935 -5.822 1.00 0.00 N ATOM 1625 NH2 ARG A 103 -10.392 -5.224 -6.854 1.00 0.00 N ATOM 0 H ARG A 103 -8.910 0.920 -1.694 1.00 0.00 H new ATOM 0 HA ARG A 103 -9.794 1.864 -4.231 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -8.038 0.228 -4.104 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -9.003 -0.839 -3.103 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -10.631 -0.924 -5.148 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -9.283 -0.274 -6.059 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -7.994 -2.191 -5.811 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -8.732 -2.627 -4.282 1.00 0.00 H new ATOM 0 HE ARG A 103 -10.740 -2.826 -6.292 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -7.698 -4.338 -5.331 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -8.131 -5.911 -6.009 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -11.291 -4.849 -7.158 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -10.157 -6.199 -7.039 1.00 0.00 H new ATOM 1639 N TRP A 104 -11.738 -0.371 -2.740 1.00 0.00 N ATOM 1640 CA TRP A 104 -13.109 -0.864 -2.667 1.00 0.00 C ATOM 1641 C TRP A 104 -14.104 0.291 -2.687 1.00 0.00 C ATOM 1642 O TRP A 104 -15.080 0.267 -3.437 1.00 0.00 O ATOM 1643 CB TRP A 104 -13.305 -1.701 -1.403 1.00 0.00 C ATOM 1644 CG TRP A 104 -14.737 -1.805 -0.975 1.00 0.00 C ATOM 1645 CD1 TRP A 104 -15.670 -2.686 -1.443 1.00 0.00 C ATOM 1646 CD2 TRP A 104 -15.400 -0.998 0.005 1.00 0.00 C ATOM 1647 NE1 TRP A 104 -16.873 -2.475 -0.813 1.00 0.00 N ATOM 1648 CE2 TRP A 104 -16.733 -1.446 0.080 1.00 0.00 C ATOM 1649 CE3 TRP A 104 -14.996 0.057 0.827 1.00 0.00 C ATOM 1650 CZ2 TRP A 104 -17.663 -0.873 0.944 1.00 0.00 C ATOM 1651 CZ3 TRP A 104 -15.920 0.625 1.684 1.00 0.00 C ATOM 1652 CH2 TRP A 104 -17.240 0.158 1.738 1.00 0.00 C ATOM 0 H TRP A 104 -11.080 -0.862 -2.134 1.00 0.00 H new ATOM 0 HA TRP A 104 -13.291 -1.491 -3.540 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -12.911 -2.703 -1.575 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -12.722 -1.264 -0.592 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -15.489 -3.438 -2.197 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -17.731 -3.000 -0.983 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -13.980 0.422 0.793 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -18.682 -1.230 0.986 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -15.619 1.442 2.323 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -17.938 0.621 2.420 1.00 0.00 H new ATOM 1663 N GLU A 105 -13.851 1.299 -1.859 1.00 0.00 N ATOM 1664 CA GLU A 105 -14.728 2.462 -1.782 1.00 0.00 C ATOM 1665 C GLU A 105 -15.062 2.984 -3.177 1.00 0.00 C ATOM 1666 O GLU A 105 -16.223 2.989 -3.588 1.00 0.00 O ATOM 1667 CB GLU A 105 -14.071 3.570 -0.955 1.00 0.00 C ATOM 1668 CG GLU A 105 -14.374 3.481 0.531 1.00 0.00 C ATOM 1669 CD GLU A 105 -13.529 4.431 1.356 1.00 0.00 C ATOM 1670 OE1 GLU A 105 -12.327 4.575 1.049 1.00 0.00 O ATOM 1671 OE2 GLU A 105 -14.069 5.030 2.310 1.00 0.00 O ATOM 0 H GLU A 105 -13.047 1.334 -1.232 1.00 0.00 H new ATOM 0 HA GLU A 105 -15.654 2.156 -1.295 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -12.992 3.529 -1.100 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -14.406 4.538 -1.328 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -15.429 3.701 0.697 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -14.204 2.460 0.872 1.00 0.00 H new ATOM 1678 N PHE A 106 -14.037 3.423 -3.900 1.00 0.00 N ATOM 1679 CA PHE A 106 -14.222 3.949 -5.247 1.00 0.00 C ATOM 1680 C PHE A 106 -15.182 3.073 -6.046 1.00 0.00 C ATOM 1681 O PHE A 106 -16.093 3.573 -6.707 1.00 0.00 O ATOM 1682 CB PHE A 106 -12.876 4.040 -5.970 1.00 0.00 C ATOM 1683 CG PHE A 106 -12.998 4.029 -7.467 1.00 0.00 C ATOM 1684 CD1 PHE A 106 -13.650 5.057 -8.130 1.00 0.00 C ATOM 1685 CD2 PHE A 106 -12.461 2.991 -8.212 1.00 0.00 C ATOM 1686 CE1 PHE A 106 -13.764 5.050 -9.507 1.00 0.00 C ATOM 1687 CE2 PHE A 106 -12.572 2.979 -9.589 1.00 0.00 C ATOM 1688 CZ PHE A 106 -13.225 4.009 -10.238 1.00 0.00 C ATOM 0 H PHE A 106 -13.070 3.425 -3.576 1.00 0.00 H new ATOM 0 HA PHE A 106 -14.652 4.947 -5.165 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -12.368 4.954 -5.662 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -12.248 3.205 -5.658 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -14.074 5.873 -7.564 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -11.950 2.182 -7.710 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -14.274 5.857 -10.011 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -12.148 2.165 -10.158 1.00 0.00 H new ATOM 0 HZ PHE A 106 -13.314 4.000 -11.314 1.00 0.00 H new ATOM 1698 N HIS A 107 -14.972 1.762 -5.980 1.00 0.00 N ATOM 1699 CA HIS A 107 -15.819 0.815 -6.697 1.00 0.00 C ATOM 1700 C HIS A 107 -17.270 0.929 -6.239 1.00 0.00 C ATOM 1701 O HIS A 107 -18.195 0.828 -7.045 1.00 0.00 O ATOM 1702 CB HIS A 107 -15.316 -0.613 -6.485 1.00 0.00 C ATOM 1703 CG HIS A 107 -14.057 -0.923 -7.235 1.00 0.00 C ATOM 1704 ND1 HIS A 107 -13.993 -0.966 -8.612 1.00 0.00 N ATOM 1705 CD2 HIS A 107 -12.810 -1.204 -6.792 1.00 0.00 C ATOM 1706 CE1 HIS A 107 -12.760 -1.261 -8.983 1.00 0.00 C ATOM 1707 NE2 HIS A 107 -12.022 -1.410 -7.898 1.00 0.00 N ATOM 0 H HIS A 107 -14.223 1.331 -5.438 1.00 0.00 H new ATOM 0 HA HIS A 107 -15.772 1.055 -7.759 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -15.144 -0.774 -5.421 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -16.094 -1.312 -6.792 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -12.493 -1.257 -5.761 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -12.414 -1.363 -10.001 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -11.028 -1.641 -7.884 1.00 0.00 H new