USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 606 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 51 MET CE :methyl -176:sc= -0.365 (180deg=-0.388) USER MOD Set 1.2: A 56 CYS SG : rot 96:sc= -3.39! USER MOD Set 2.1: A 35 GLN : amide:sc= -1.18 K(o=-2.4,f=-1.9) USER MOD Set 2.2: A 37 TYR OH : rot 29:sc= -1.19 USER MOD Set 3.1: A 16 LYS NZ :NH3+ -174:sc= 3.54 (180deg=3.41) USER MOD Set 3.2: A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -179:sc= 0 (180deg=-4.6e-06) USER MOD Single : A 11 MET CE :methyl -152:sc= -0.0106 (180deg=-0.194) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= 0.193 X(o=0.19,f=0) USER MOD Single : A 23 ASN : amide:sc= -0.407 X(o=-0.41,f=-0.87) USER MOD Single : A 25 GLN : amide:sc=-0.00888 X(o=-0.0089,f=-0.5) USER MOD Single : A 26 GLN : amide:sc= -0.237 K(o=-0.24,f=-2.9!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.922 K(o=-0.92,f=-3.7!) USER MOD Single : A 50 CYS SG : rot 27:sc= 0.964 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -110:sc= -7.28! (180deg=-13.1!) USER MOD Single : A 89 SER OG : rot -27:sc= 0.155 USER MOD Single : A 93 MET CE :methyl -168:sc= -6.22! (180deg=-6.91!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 100 MET CE :methyl -148:sc= -0.425 (180deg=-2.06!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 80 N ILE A 9 -6.045 8.588 9.183 1.00 0.00 N ATOM 81 CA ILE A 9 -7.427 8.182 8.993 1.00 0.00 C ATOM 82 C ILE A 9 -7.555 6.681 9.262 1.00 0.00 C ATOM 83 O ILE A 9 -8.453 6.251 9.984 1.00 0.00 O ATOM 84 CB ILE A 9 -7.924 8.603 7.609 1.00 0.00 C ATOM 85 CG1 ILE A 9 -8.033 10.126 7.505 1.00 0.00 C ATOM 86 CG2 ILE A 9 -9.244 7.910 7.266 1.00 0.00 C ATOM 87 CD1 ILE A 9 -7.675 10.607 6.098 1.00 0.00 C ATOM 0 HA ILE A 9 -8.075 8.691 9.707 1.00 0.00 H new ATOM 0 HB ILE A 9 -7.190 8.281 6.871 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.047 10.439 7.753 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -7.368 10.592 8.232 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -9.575 8.227 6.277 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.100 6.830 7.271 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -9.999 8.179 8.005 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -7.761 11.693 6.052 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.652 10.313 5.862 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -8.357 10.158 5.376 1.00 0.00 H new ATOM 99 N LYS A 10 -6.644 5.926 8.667 1.00 0.00 N ATOM 100 CA LYS A 10 -6.643 4.483 8.833 1.00 0.00 C ATOM 101 C LYS A 10 -5.201 3.972 8.810 1.00 0.00 C ATOM 102 O LYS A 10 -4.486 4.165 7.829 1.00 0.00 O ATOM 103 CB LYS A 10 -7.546 3.823 7.789 1.00 0.00 C ATOM 104 CG LYS A 10 -8.019 2.447 8.263 1.00 0.00 C ATOM 105 CD LYS A 10 -7.211 1.331 7.599 1.00 0.00 C ATOM 106 CE LYS A 10 -7.939 -0.011 7.706 1.00 0.00 C ATOM 107 NZ LYS A 10 -7.963 -0.477 9.111 1.00 0.00 N ATOM 0 H LYS A 10 -5.901 6.287 8.069 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.063 4.211 9.802 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.408 4.460 7.594 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.006 3.721 6.848 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.920 2.378 9.346 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.077 2.322 8.031 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.042 1.574 6.550 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.231 1.256 8.071 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.958 0.091 7.333 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.442 -0.752 7.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.446 -1.397 9.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.989 -0.577 9.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.472 0.215 9.698 1.00 0.00 H new ATOM 121 N MET A 11 -4.818 3.329 9.903 1.00 0.00 N ATOM 122 CA MET A 11 -3.474 2.789 10.021 1.00 0.00 C ATOM 123 C MET A 11 -3.500 1.259 10.070 1.00 0.00 C ATOM 124 O MET A 11 -4.443 0.667 10.593 1.00 0.00 O ATOM 125 CB MET A 11 -2.816 3.328 11.293 1.00 0.00 C ATOM 126 CG MET A 11 -3.179 4.798 11.517 1.00 0.00 C ATOM 127 SD MET A 11 -4.357 4.940 12.851 1.00 0.00 S ATOM 128 CE MET A 11 -5.450 6.175 12.170 1.00 0.00 C ATOM 0 H MET A 11 -5.415 3.170 10.715 1.00 0.00 H new ATOM 0 HA MET A 11 -2.901 3.097 9.146 1.00 0.00 H new ATOM 0 HB2 MET A 11 -3.135 2.736 12.151 1.00 0.00 H new ATOM 0 HB3 MET A 11 -1.733 3.224 11.219 1.00 0.00 H new ATOM 0 HG2 MET A 11 -2.282 5.371 11.751 1.00 0.00 H new ATOM 0 HG3 MET A 11 -3.598 5.221 10.604 1.00 0.00 H new ATOM 0 HE1 MET A 11 -5.914 6.737 12.981 1.00 0.00 H new ATOM 0 HE2 MET A 11 -4.881 6.855 11.537 1.00 0.00 H new ATOM 0 HE3 MET A 11 -6.224 5.688 11.576 1.00 0.00 H new ATOM 138 N GLY A 12 -2.454 0.664 9.517 1.00 0.00 N ATOM 139 CA GLY A 12 -2.345 -0.785 9.491 1.00 0.00 C ATOM 140 C GLY A 12 -1.095 -1.227 8.728 1.00 0.00 C ATOM 141 O GLY A 12 -0.556 -0.471 7.920 1.00 0.00 O ATOM 0 H GLY A 12 -1.674 1.158 9.083 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.308 -1.169 10.511 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -3.232 -1.212 9.022 1.00 0.00 H new ATOM 145 N TRP A 13 -0.669 -2.449 9.011 1.00 0.00 N ATOM 146 CA TRP A 13 0.508 -3.001 8.361 1.00 0.00 C ATOM 147 C TRP A 13 0.058 -3.683 7.068 1.00 0.00 C ATOM 148 O TRP A 13 -0.868 -4.493 7.078 1.00 0.00 O ATOM 149 CB TRP A 13 1.263 -3.942 9.302 1.00 0.00 C ATOM 150 CG TRP A 13 2.197 -3.227 10.280 1.00 0.00 C ATOM 151 CD1 TRP A 13 1.884 -2.290 11.185 1.00 0.00 C ATOM 152 CD2 TRP A 13 3.620 -3.431 10.415 1.00 0.00 C ATOM 153 NE1 TRP A 13 2.996 -1.876 11.890 1.00 0.00 N ATOM 154 CE2 TRP A 13 4.085 -2.593 11.407 1.00 0.00 C ATOM 155 CE3 TRP A 13 4.485 -4.296 9.721 1.00 0.00 C ATOM 156 CZ2 TRP A 13 5.429 -2.536 11.795 1.00 0.00 C ATOM 157 CZ3 TRP A 13 5.825 -4.227 10.121 1.00 0.00 C ATOM 158 CH2 TRP A 13 6.309 -3.389 11.118 1.00 0.00 C ATOM 0 H TRP A 13 -1.118 -3.073 9.682 1.00 0.00 H new ATOM 0 HA TRP A 13 1.216 -2.211 8.110 1.00 0.00 H new ATOM 0 HB2 TRP A 13 0.540 -4.529 9.869 1.00 0.00 H new ATOM 0 HB3 TRP A 13 1.846 -4.644 8.706 1.00 0.00 H new ATOM 0 HD1 TRP A 13 0.887 -1.907 11.343 1.00 0.00 H new ATOM 0 HE1 TRP A 13 3.015 -1.173 12.629 1.00 0.00 H new ATOM 0 HE3 TRP A 13 4.143 -4.961 8.942 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 5.769 -1.870 12.574 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 6.532 -4.871 9.619 1.00 0.00 H new ATOM 0 HH2 TRP A 13 7.359 -3.396 11.370 1.00 0.00 H new ATOM 169 N LEU A 14 0.735 -3.330 5.985 1.00 0.00 N ATOM 170 CA LEU A 14 0.416 -3.898 4.686 1.00 0.00 C ATOM 171 C LEU A 14 1.699 -4.417 4.032 1.00 0.00 C ATOM 172 O LEU A 14 2.796 -3.980 4.377 1.00 0.00 O ATOM 173 CB LEU A 14 -0.343 -2.883 3.829 1.00 0.00 C ATOM 174 CG LEU A 14 -1.837 -2.738 4.127 1.00 0.00 C ATOM 175 CD1 LEU A 14 -2.398 -1.458 3.505 1.00 0.00 C ATOM 176 CD2 LEU A 14 -2.609 -3.980 3.679 1.00 0.00 C ATOM 0 H LEU A 14 1.503 -2.658 5.980 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.254 -4.751 4.797 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.128 -1.908 3.953 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.227 -3.162 2.782 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.963 -2.653 5.206 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.461 -1.379 3.732 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.874 -0.594 3.915 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.259 -1.487 2.424 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.668 -3.850 3.902 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.479 -4.122 2.606 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.231 -4.854 4.209 1.00 0.00 H new ATOM 188 N LYS A 15 1.518 -5.342 3.101 1.00 0.00 N ATOM 189 CA LYS A 15 2.647 -5.925 2.396 1.00 0.00 C ATOM 190 C LYS A 15 2.830 -5.211 1.056 1.00 0.00 C ATOM 191 O LYS A 15 2.025 -5.382 0.142 1.00 0.00 O ATOM 192 CB LYS A 15 2.474 -7.440 2.268 1.00 0.00 C ATOM 193 CG LYS A 15 3.511 -8.184 3.112 1.00 0.00 C ATOM 194 CD LYS A 15 3.525 -9.676 2.774 1.00 0.00 C ATOM 195 CE LYS A 15 2.674 -10.470 3.768 1.00 0.00 C ATOM 196 NZ LYS A 15 3.390 -11.690 4.204 1.00 0.00 N ATOM 0 H LYS A 15 0.607 -5.702 2.818 1.00 0.00 H new ATOM 0 HA LYS A 15 3.567 -5.779 2.963 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.471 -7.723 2.586 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.572 -7.734 1.223 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.499 -7.759 2.938 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.288 -8.049 4.170 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.146 -9.827 1.763 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.550 -10.047 2.789 1.00 0.00 H new ATOM 0 HE2 LYS A 15 2.441 -9.849 4.633 1.00 0.00 H new ATOM 0 HE3 LYS A 15 1.725 -10.743 3.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.799 -12.217 4.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.591 -12.289 3.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 4.284 -11.422 4.663 1.00 0.00 H new ATOM 210 N LYS A 16 3.895 -4.425 0.980 1.00 0.00 N ATOM 211 CA LYS A 16 4.193 -3.684 -0.233 1.00 0.00 C ATOM 212 C LYS A 16 5.290 -4.413 -1.013 1.00 0.00 C ATOM 213 O LYS A 16 6.318 -4.781 -0.448 1.00 0.00 O ATOM 214 CB LYS A 16 4.536 -2.230 0.097 1.00 0.00 C ATOM 215 CG LYS A 16 5.027 -1.486 -1.147 1.00 0.00 C ATOM 216 CD LYS A 16 5.826 -0.240 -0.760 1.00 0.00 C ATOM 217 CE LYS A 16 5.325 0.990 -1.521 1.00 0.00 C ATOM 218 NZ LYS A 16 4.733 1.972 -0.585 1.00 0.00 N ATOM 0 H LYS A 16 4.562 -4.286 1.739 1.00 0.00 H new ATOM 0 HA LYS A 16 3.316 -3.641 -0.879 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.657 -1.728 0.502 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.304 -2.200 0.870 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.648 -2.148 -1.750 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.175 -1.199 -1.764 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.741 -0.068 0.313 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.883 -0.400 -0.975 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.150 1.449 -2.066 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.583 0.690 -2.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.307 2.753 -1.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.000 1.507 -0.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.475 2.347 0.040 1.00 0.00 H new ATOM 232 N GLN A 17 5.033 -4.599 -2.300 1.00 0.00 N ATOM 233 CA GLN A 17 5.985 -5.276 -3.163 1.00 0.00 C ATOM 234 C GLN A 17 7.192 -4.375 -3.432 1.00 0.00 C ATOM 235 O GLN A 17 7.038 -3.174 -3.647 1.00 0.00 O ATOM 236 CB GLN A 17 5.324 -5.714 -4.472 1.00 0.00 C ATOM 237 CG GLN A 17 6.014 -6.952 -5.047 1.00 0.00 C ATOM 238 CD GLN A 17 5.439 -7.312 -6.419 1.00 0.00 C ATOM 239 OE1 GLN A 17 5.774 -6.725 -7.434 1.00 0.00 O ATOM 240 NE2 GLN A 17 4.557 -8.308 -6.391 1.00 0.00 N ATOM 0 H GLN A 17 4.179 -4.292 -2.765 1.00 0.00 H new ATOM 0 HA GLN A 17 6.334 -6.174 -2.653 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.270 -5.929 -4.297 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.367 -4.900 -5.196 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.085 -6.768 -5.134 1.00 0.00 H new ATOM 0 HG3 GLN A 17 5.889 -7.793 -4.364 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.322 -8.756 -5.505 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.116 -8.623 -7.255 1.00 0.00 H new ATOM 341 N ASN A 23 8.999 -10.166 -4.127 1.00 0.00 N ATOM 342 CA ASN A 23 8.907 -10.329 -2.686 1.00 0.00 C ATOM 343 C ASN A 23 7.882 -9.338 -2.130 1.00 0.00 C ATOM 344 O ASN A 23 7.463 -8.416 -2.827 1.00 0.00 O ATOM 345 CB ASN A 23 10.251 -10.046 -2.013 1.00 0.00 C ATOM 346 CG ASN A 23 10.338 -10.736 -0.650 1.00 0.00 C ATOM 347 OD1 ASN A 23 10.095 -10.146 0.390 1.00 0.00 O ATOM 348 ND2 ASN A 23 10.697 -12.015 -0.713 1.00 0.00 N ATOM 0 HA ASN A 23 8.611 -11.358 -2.481 1.00 0.00 H new ATOM 0 HB2 ASN A 23 11.062 -10.393 -2.653 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.380 -8.971 -1.889 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.783 -12.563 0.143 1.00 0.00 H new ATOM 0 HD22 ASN A 23 10.886 -12.448 -1.617 1.00 0.00 H new ATOM 355 N TRP A 24 7.508 -9.563 -0.879 1.00 0.00 N ATOM 356 CA TRP A 24 6.540 -8.702 -0.221 1.00 0.00 C ATOM 357 C TRP A 24 7.145 -8.239 1.106 1.00 0.00 C ATOM 358 O TRP A 24 7.695 -9.044 1.856 1.00 0.00 O ATOM 359 CB TRP A 24 5.198 -9.416 -0.050 1.00 0.00 C ATOM 360 CG TRP A 24 4.553 -9.853 -1.366 1.00 0.00 C ATOM 361 CD1 TRP A 24 4.791 -10.968 -2.071 1.00 0.00 C ATOM 362 CD2 TRP A 24 3.549 -9.134 -2.112 1.00 0.00 C ATOM 363 NE1 TRP A 24 4.016 -11.020 -3.212 1.00 0.00 N ATOM 364 CE2 TRP A 24 3.237 -9.869 -3.238 1.00 0.00 C ATOM 365 CE3 TRP A 24 2.924 -7.903 -1.845 1.00 0.00 C ATOM 366 CZ2 TRP A 24 2.292 -9.457 -4.185 1.00 0.00 C ATOM 367 CZ3 TRP A 24 1.983 -7.505 -2.802 1.00 0.00 C ATOM 368 CH2 TRP A 24 1.657 -8.234 -3.940 1.00 0.00 C ATOM 0 H TRP A 24 7.858 -10.329 -0.304 1.00 0.00 H new ATOM 0 HA TRP A 24 6.326 -7.824 -0.831 1.00 0.00 H new ATOM 0 HB2 TRP A 24 5.343 -10.293 0.581 1.00 0.00 H new ATOM 0 HB3 TRP A 24 4.511 -8.754 0.477 1.00 0.00 H new ATOM 0 HD1 TRP A 24 5.500 -11.730 -1.783 1.00 0.00 H new ATOM 0 HE1 TRP A 24 4.015 -11.766 -3.908 1.00 0.00 H new ATOM 0 HE3 TRP A 24 3.152 -7.311 -0.971 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 2.065 -10.051 -5.058 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 1.474 -6.565 -2.645 1.00 0.00 H new ATOM 0 HH2 TRP A 24 0.917 -7.858 -4.632 1.00 0.00 H new ATOM 379 N GLN A 25 7.022 -6.943 1.356 1.00 0.00 N ATOM 380 CA GLN A 25 7.550 -6.364 2.579 1.00 0.00 C ATOM 381 C GLN A 25 6.408 -5.841 3.454 1.00 0.00 C ATOM 382 O GLN A 25 5.684 -4.930 3.055 1.00 0.00 O ATOM 383 CB GLN A 25 8.557 -5.254 2.271 1.00 0.00 C ATOM 384 CG GLN A 25 9.945 -5.835 1.992 1.00 0.00 C ATOM 385 CD GLN A 25 10.862 -5.670 3.206 1.00 0.00 C ATOM 386 OE1 GLN A 25 11.168 -4.572 3.640 1.00 0.00 O ATOM 387 NE2 GLN A 25 11.282 -6.819 3.727 1.00 0.00 N ATOM 0 H GLN A 25 6.564 -6.278 0.732 1.00 0.00 H new ATOM 0 HA GLN A 25 8.077 -7.144 3.129 1.00 0.00 H new ATOM 0 HB2 GLN A 25 8.219 -4.680 1.408 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.610 -4.563 3.112 1.00 0.00 H new ATOM 0 HG2 GLN A 25 9.857 -6.892 1.739 1.00 0.00 H new ATOM 0 HG3 GLN A 25 10.385 -5.336 1.129 1.00 0.00 H new ATOM 0 HE21 GLN A 25 10.988 -7.704 3.314 1.00 0.00 H new ATOM 0 HE22 GLN A 25 11.899 -6.815 4.539 1.00 0.00 H new ATOM 396 N GLN A 26 6.284 -6.439 4.629 1.00 0.00 N ATOM 397 CA GLN A 26 5.243 -6.045 5.563 1.00 0.00 C ATOM 398 C GLN A 26 5.652 -4.772 6.308 1.00 0.00 C ATOM 399 O GLN A 26 6.396 -4.832 7.285 1.00 0.00 O ATOM 400 CB GLN A 26 4.929 -7.176 6.544 1.00 0.00 C ATOM 401 CG GLN A 26 3.478 -7.100 7.023 1.00 0.00 C ATOM 402 CD GLN A 26 2.856 -8.495 7.115 1.00 0.00 C ATOM 403 OE1 GLN A 26 3.502 -9.506 6.894 1.00 0.00 O ATOM 404 NE2 GLN A 26 1.570 -8.493 7.450 1.00 0.00 N ATOM 0 H GLN A 26 6.887 -7.194 4.956 1.00 0.00 H new ATOM 0 HA GLN A 26 4.335 -5.836 4.997 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.107 -8.138 6.064 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.602 -7.117 7.400 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.438 -6.615 7.999 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.897 -6.484 6.337 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.089 -7.610 7.621 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.064 -9.374 7.536 1.00 0.00 H new ATOM 413 N ARG A 27 5.148 -3.649 5.816 1.00 0.00 N ATOM 414 CA ARG A 27 5.452 -2.364 6.422 1.00 0.00 C ATOM 415 C ARG A 27 4.205 -1.787 7.095 1.00 0.00 C ATOM 416 O ARG A 27 3.124 -2.368 7.010 1.00 0.00 O ATOM 417 CB ARG A 27 5.966 -1.371 5.378 1.00 0.00 C ATOM 418 CG ARG A 27 7.270 -1.863 4.749 1.00 0.00 C ATOM 419 CD ARG A 27 8.427 -1.777 5.746 1.00 0.00 C ATOM 420 NE ARG A 27 9.193 -3.044 5.743 1.00 0.00 N ATOM 421 CZ ARG A 27 10.050 -3.406 6.707 1.00 0.00 C ATOM 422 NH1 ARG A 27 10.256 -2.600 7.758 1.00 0.00 N ATOM 423 NH2 ARG A 27 10.701 -4.574 6.621 1.00 0.00 N ATOM 0 H ARG A 27 4.531 -3.603 5.005 1.00 0.00 H new ATOM 0 HA ARG A 27 6.230 -2.524 7.168 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.214 -1.232 4.602 1.00 0.00 H new ATOM 0 HB3 ARG A 27 6.127 -0.399 5.844 1.00 0.00 H new ATOM 0 HG2 ARG A 27 7.150 -2.893 4.414 1.00 0.00 H new ATOM 0 HG3 ARG A 27 7.500 -1.266 3.867 1.00 0.00 H new ATOM 0 HD2 ARG A 27 9.082 -0.946 5.485 1.00 0.00 H new ATOM 0 HD3 ARG A 27 8.042 -1.577 6.746 1.00 0.00 H new ATOM 0 HE ARG A 27 9.060 -3.681 4.958 1.00 0.00 H new ATOM 0 HH11 ARG A 27 9.760 -1.711 7.824 1.00 0.00 H new ATOM 0 HH12 ARG A 27 10.908 -2.876 8.492 1.00 0.00 H new ATOM 0 HH21 ARG A 27 10.544 -5.188 5.821 1.00 0.00 H new ATOM 0 HH22 ARG A 27 11.353 -4.849 7.355 1.00 0.00 H new ATOM 437 N TYR A 28 4.396 -0.650 7.748 1.00 0.00 N ATOM 438 CA TYR A 28 3.301 0.012 8.435 1.00 0.00 C ATOM 439 C TYR A 28 2.761 1.181 7.608 1.00 0.00 C ATOM 440 O TYR A 28 3.371 2.248 7.564 1.00 0.00 O ATOM 441 CB TYR A 28 3.887 0.554 9.740 1.00 0.00 C ATOM 442 CG TYR A 28 2.861 1.236 10.648 1.00 0.00 C ATOM 443 CD1 TYR A 28 1.512 1.036 10.436 1.00 0.00 C ATOM 444 CD2 TYR A 28 3.285 2.051 11.678 1.00 0.00 C ATOM 445 CE1 TYR A 28 0.547 1.677 11.291 1.00 0.00 C ATOM 446 CE2 TYR A 28 2.319 2.692 12.532 1.00 0.00 C ATOM 447 CZ TYR A 28 0.998 2.474 12.296 1.00 0.00 C ATOM 448 OH TYR A 28 0.086 3.080 13.103 1.00 0.00 O ATOM 0 H TYR A 28 5.294 -0.170 7.816 1.00 0.00 H new ATOM 0 HA TYR A 28 2.478 -0.683 8.603 1.00 0.00 H new ATOM 0 HB2 TYR A 28 4.351 -0.267 10.286 1.00 0.00 H new ATOM 0 HB3 TYR A 28 4.677 1.266 9.503 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.180 0.399 9.629 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.341 2.208 11.843 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -0.512 1.528 11.137 1.00 0.00 H new ATOM 0 HE2 TYR A 28 2.637 3.332 13.342 1.00 0.00 H new ATOM 0 HH TYR A 28 0.552 3.617 13.777 1.00 0.00 H new ATOM 458 N PHE A 29 1.624 0.940 6.973 1.00 0.00 N ATOM 459 CA PHE A 29 0.995 1.959 6.150 1.00 0.00 C ATOM 460 C PHE A 29 0.051 2.829 6.981 1.00 0.00 C ATOM 461 O PHE A 29 -0.619 2.335 7.886 1.00 0.00 O ATOM 462 CB PHE A 29 0.186 1.230 5.076 1.00 0.00 C ATOM 463 CG PHE A 29 0.975 0.926 3.801 1.00 0.00 C ATOM 464 CD1 PHE A 29 1.831 -0.131 3.767 1.00 0.00 C ATOM 465 CD2 PHE A 29 0.820 1.712 2.702 1.00 0.00 C ATOM 466 CE1 PHE A 29 2.563 -0.413 2.583 1.00 0.00 C ATOM 467 CE2 PHE A 29 1.552 1.429 1.518 1.00 0.00 C ATOM 468 CZ PHE A 29 2.408 0.373 1.484 1.00 0.00 C ATOM 0 H PHE A 29 1.121 0.053 7.012 1.00 0.00 H new ATOM 0 HA PHE A 29 1.755 2.608 5.716 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.189 0.294 5.491 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.683 1.835 4.817 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.954 -0.755 4.640 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.141 2.551 2.729 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.243 -1.252 2.555 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.429 2.053 0.645 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.965 0.158 0.584 1.00 0.00 H new ATOM 478 N VAL A 30 0.028 4.111 6.644 1.00 0.00 N ATOM 479 CA VAL A 30 -0.823 5.055 7.348 1.00 0.00 C ATOM 480 C VAL A 30 -1.472 6.002 6.336 1.00 0.00 C ATOM 481 O VAL A 30 -0.855 6.366 5.337 1.00 0.00 O ATOM 482 CB VAL A 30 -0.016 5.788 8.421 1.00 0.00 C ATOM 483 CG1 VAL A 30 -0.770 7.018 8.929 1.00 0.00 C ATOM 484 CG2 VAL A 30 0.342 4.849 9.575 1.00 0.00 C ATOM 0 H VAL A 30 0.585 4.517 5.893 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.627 4.532 7.866 1.00 0.00 H new ATOM 0 HB VAL A 30 0.914 6.129 7.966 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.174 7.521 9.691 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.951 7.702 8.100 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.723 6.709 9.359 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.916 5.395 10.324 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.572 4.464 10.027 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.938 4.018 9.197 1.00 0.00 H new ATOM 494 N LEU A 31 -2.709 6.374 6.632 1.00 0.00 N ATOM 495 CA LEU A 31 -3.448 7.272 5.761 1.00 0.00 C ATOM 496 C LEU A 31 -3.625 8.622 6.459 1.00 0.00 C ATOM 497 O LEU A 31 -4.128 8.684 7.580 1.00 0.00 O ATOM 498 CB LEU A 31 -4.765 6.629 5.322 1.00 0.00 C ATOM 499 CG LEU A 31 -5.123 6.777 3.842 1.00 0.00 C ATOM 500 CD1 LEU A 31 -5.643 5.457 3.269 1.00 0.00 C ATOM 501 CD2 LEU A 31 -6.113 7.924 3.629 1.00 0.00 C ATOM 0 H LEU A 31 -3.218 6.070 7.462 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.890 7.458 4.844 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.725 5.566 5.561 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.572 7.059 5.915 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.215 7.030 3.295 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.890 5.590 2.216 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.875 4.690 3.368 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.535 5.150 3.815 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.351 8.007 2.568 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.026 7.726 4.191 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.669 8.857 3.976 1.00 0.00 H new ATOM 513 N ARG A 32 -3.202 9.670 5.767 1.00 0.00 N ATOM 514 CA ARG A 32 -3.308 11.015 6.307 1.00 0.00 C ATOM 515 C ARG A 32 -3.698 12.001 5.203 1.00 0.00 C ATOM 516 O ARG A 32 -3.062 12.042 4.151 1.00 0.00 O ATOM 517 CB ARG A 32 -1.987 11.461 6.937 1.00 0.00 C ATOM 518 CG ARG A 32 -2.120 11.591 8.455 1.00 0.00 C ATOM 519 CD ARG A 32 -0.940 12.367 9.045 1.00 0.00 C ATOM 520 NE ARG A 32 -1.124 13.818 8.816 1.00 0.00 N ATOM 521 CZ ARG A 32 -1.999 14.579 9.486 1.00 0.00 C ATOM 522 NH1 ARG A 32 -2.777 14.033 10.430 1.00 0.00 N ATOM 523 NH2 ARG A 32 -2.098 15.887 9.211 1.00 0.00 N ATOM 0 H ARG A 32 -2.785 9.615 4.838 1.00 0.00 H new ATOM 0 HA ARG A 32 -4.079 11.004 7.077 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.204 10.741 6.697 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.682 12.417 6.512 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.053 12.099 8.700 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -2.170 10.600 8.905 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.860 12.166 10.113 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.009 12.033 8.587 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.548 14.266 8.103 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.703 13.037 10.639 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -3.443 14.613 10.940 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -1.507 16.303 8.491 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -2.764 16.466 9.721 1.00 0.00 H new ATOM 537 N ALA A 33 -4.740 12.769 5.482 1.00 0.00 N ATOM 538 CA ALA A 33 -5.222 13.752 4.526 1.00 0.00 C ATOM 539 C ALA A 33 -5.399 13.085 3.160 1.00 0.00 C ATOM 540 O ALA A 33 -5.834 11.937 3.078 1.00 0.00 O ATOM 541 CB ALA A 33 -4.252 14.934 4.476 1.00 0.00 C ATOM 0 H ALA A 33 -5.264 12.731 6.356 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.194 14.140 4.832 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.613 15.671 3.759 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -4.184 15.391 5.463 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -3.266 14.583 4.170 1.00 0.00 H new ATOM 547 N GLN A 34 -5.052 13.832 2.123 1.00 0.00 N ATOM 548 CA GLN A 34 -5.167 13.327 0.765 1.00 0.00 C ATOM 549 C GLN A 34 -3.818 12.788 0.283 1.00 0.00 C ATOM 550 O GLN A 34 -3.338 13.171 -0.782 1.00 0.00 O ATOM 551 CB GLN A 34 -5.694 14.409 -0.179 1.00 0.00 C ATOM 552 CG GLN A 34 -6.974 15.042 0.372 1.00 0.00 C ATOM 553 CD GLN A 34 -7.245 16.395 -0.290 1.00 0.00 C ATOM 554 OE1 GLN A 34 -8.055 16.521 -1.194 1.00 0.00 O ATOM 555 NE2 GLN A 34 -6.525 17.395 0.209 1.00 0.00 N ATOM 0 H GLN A 34 -4.691 14.783 2.195 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.885 12.507 0.762 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -4.934 15.178 -0.317 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -5.891 13.976 -1.160 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -7.818 14.374 0.200 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -6.885 15.172 1.451 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -5.864 17.220 0.966 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -6.633 18.338 -0.165 1.00 0.00 H new ATOM 564 N GLN A 35 -3.246 11.908 1.091 1.00 0.00 N ATOM 565 CA GLN A 35 -1.963 11.313 0.761 1.00 0.00 C ATOM 566 C GLN A 35 -1.777 9.997 1.518 1.00 0.00 C ATOM 567 O GLN A 35 -2.236 9.858 2.651 1.00 0.00 O ATOM 568 CB GLN A 35 -0.816 12.282 1.057 1.00 0.00 C ATOM 569 CG GLN A 35 -0.451 13.095 -0.187 1.00 0.00 C ATOM 570 CD GLN A 35 0.959 13.677 -0.067 1.00 0.00 C ATOM 571 OE1 GLN A 35 1.250 14.494 0.792 1.00 0.00 O ATOM 572 NE2 GLN A 35 1.815 13.213 -0.972 1.00 0.00 N ATOM 0 H GLN A 35 -3.648 11.593 1.974 1.00 0.00 H new ATOM 0 HA GLN A 35 -1.949 11.100 -0.308 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -1.103 12.955 1.865 1.00 0.00 H new ATOM 0 HB3 GLN A 35 0.056 11.725 1.401 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -0.512 12.461 -1.071 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -1.171 13.902 -0.323 1.00 0.00 H new ATOM 0 HE21 GLN A 35 1.506 12.530 -1.663 1.00 0.00 H new ATOM 0 HE22 GLN A 35 2.781 13.540 -0.975 1.00 0.00 H new ATOM 581 N LEU A 36 -1.104 9.063 0.862 1.00 0.00 N ATOM 582 CA LEU A 36 -0.852 7.763 1.460 1.00 0.00 C ATOM 583 C LEU A 36 0.627 7.657 1.837 1.00 0.00 C ATOM 584 O LEU A 36 1.502 7.933 1.017 1.00 0.00 O ATOM 585 CB LEU A 36 -1.331 6.645 0.531 1.00 0.00 C ATOM 586 CG LEU A 36 -1.252 5.225 1.095 1.00 0.00 C ATOM 587 CD1 LEU A 36 0.203 4.780 1.260 1.00 0.00 C ATOM 588 CD2 LEU A 36 -2.038 5.110 2.403 1.00 0.00 C ATOM 0 H LEU A 36 -0.726 9.181 -0.078 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.425 7.650 2.381 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.366 6.848 0.254 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.742 6.684 -0.386 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.717 4.547 0.379 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.230 3.767 1.662 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.701 4.799 0.291 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.715 5.456 1.944 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.966 4.091 2.783 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.625 5.801 3.138 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.084 5.356 2.222 1.00 0.00 H new ATOM 600 N TYR A 37 0.861 7.258 3.078 1.00 0.00 N ATOM 601 CA TYR A 37 2.219 7.112 3.574 1.00 0.00 C ATOM 602 C TYR A 37 2.456 5.703 4.121 1.00 0.00 C ATOM 603 O TYR A 37 1.507 4.953 4.345 1.00 0.00 O ATOM 604 CB TYR A 37 2.361 8.120 4.716 1.00 0.00 C ATOM 605 CG TYR A 37 1.808 9.509 4.393 1.00 0.00 C ATOM 606 CD1 TYR A 37 2.606 10.439 3.758 1.00 0.00 C ATOM 607 CD2 TYR A 37 0.511 9.833 4.737 1.00 0.00 C ATOM 608 CE1 TYR A 37 2.085 11.747 3.454 1.00 0.00 C ATOM 609 CE2 TYR A 37 -0.010 11.140 4.433 1.00 0.00 C ATOM 610 CZ TYR A 37 0.803 12.033 3.806 1.00 0.00 C ATOM 611 OH TYR A 37 0.311 13.268 3.519 1.00 0.00 O ATOM 0 H TYR A 37 0.133 7.031 3.755 1.00 0.00 H new ATOM 0 HA TYR A 37 2.940 7.282 2.774 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.848 7.731 5.596 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.415 8.212 4.977 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.621 10.186 3.489 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.113 9.105 5.234 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.699 12.484 2.958 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.023 11.406 4.697 1.00 0.00 H new ATOM 0 HH TYR A 37 0.759 13.622 2.722 1.00 0.00 H new ATOM 621 N TYR A 38 3.727 5.385 4.318 1.00 0.00 N ATOM 622 CA TYR A 38 4.100 4.079 4.834 1.00 0.00 C ATOM 623 C TYR A 38 5.504 4.110 5.441 1.00 0.00 C ATOM 624 O TYR A 38 6.456 4.539 4.791 1.00 0.00 O ATOM 625 CB TYR A 38 4.098 3.134 3.631 1.00 0.00 C ATOM 626 CG TYR A 38 5.444 3.040 2.911 1.00 0.00 C ATOM 627 CD1 TYR A 38 6.472 2.304 3.463 1.00 0.00 C ATOM 628 CD2 TYR A 38 5.631 3.693 1.709 1.00 0.00 C ATOM 629 CE1 TYR A 38 7.740 2.216 2.785 1.00 0.00 C ATOM 630 CE2 TYR A 38 6.899 3.605 1.032 1.00 0.00 C ATOM 631 CZ TYR A 38 7.890 2.871 1.603 1.00 0.00 C ATOM 632 OH TYR A 38 9.088 2.788 0.963 1.00 0.00 O ATOM 0 H TYR A 38 4.511 6.009 4.130 1.00 0.00 H new ATOM 0 HA TYR A 38 3.408 3.763 5.615 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.806 2.138 3.965 1.00 0.00 H new ATOM 0 HB3 TYR A 38 3.341 3.467 2.921 1.00 0.00 H new ATOM 0 HD1 TYR A 38 6.326 1.794 4.404 1.00 0.00 H new ATOM 0 HD2 TYR A 38 4.827 4.270 1.277 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.553 1.643 3.206 1.00 0.00 H new ATOM 0 HE2 TYR A 38 7.059 4.111 0.091 1.00 0.00 H new ATOM 0 HH TYR A 38 9.051 3.304 0.131 1.00 0.00 H new ATOM 642 N TYR A 39 5.589 3.649 6.681 1.00 0.00 N ATOM 643 CA TYR A 39 6.861 3.618 7.382 1.00 0.00 C ATOM 644 C TYR A 39 7.345 2.180 7.577 1.00 0.00 C ATOM 645 O TYR A 39 6.564 1.237 7.461 1.00 0.00 O ATOM 646 CB TYR A 39 6.601 4.247 8.753 1.00 0.00 C ATOM 647 CG TYR A 39 5.872 5.591 8.694 1.00 0.00 C ATOM 648 CD1 TYR A 39 4.503 5.626 8.526 1.00 0.00 C ATOM 649 CD2 TYR A 39 6.584 6.767 8.808 1.00 0.00 C ATOM 650 CE1 TYR A 39 3.817 6.891 8.470 1.00 0.00 C ATOM 651 CE2 TYR A 39 5.899 8.032 8.752 1.00 0.00 C ATOM 652 CZ TYR A 39 4.549 8.032 8.586 1.00 0.00 C ATOM 653 OH TYR A 39 3.901 9.227 8.533 1.00 0.00 O ATOM 0 H TYR A 39 4.797 3.294 7.218 1.00 0.00 H new ATOM 0 HA TYR A 39 7.625 4.150 6.815 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.014 3.553 9.354 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.554 4.384 9.265 1.00 0.00 H new ATOM 0 HD1 TYR A 39 3.946 4.705 8.437 1.00 0.00 H new ATOM 0 HD2 TYR A 39 7.656 6.739 8.939 1.00 0.00 H new ATOM 0 HE1 TYR A 39 2.746 6.933 8.339 1.00 0.00 H new ATOM 0 HE2 TYR A 39 6.445 8.960 8.840 1.00 0.00 H new ATOM 0 HH TYR A 39 4.549 9.955 8.630 1.00 0.00 H new ATOM 789 N GLN A 48 8.088 7.411 4.357 1.00 0.00 N ATOM 790 CA GLN A 48 8.978 6.885 3.336 1.00 0.00 C ATOM 791 C GLN A 48 8.472 7.266 1.943 1.00 0.00 C ATOM 792 O GLN A 48 9.201 7.870 1.158 1.00 0.00 O ATOM 793 CB GLN A 48 9.127 5.368 3.468 1.00 0.00 C ATOM 794 CG GLN A 48 9.825 4.998 4.778 1.00 0.00 C ATOM 795 CD GLN A 48 11.323 5.299 4.706 1.00 0.00 C ATOM 796 OE1 GLN A 48 11.747 6.427 4.512 1.00 0.00 O ATOM 797 NE2 GLN A 48 12.099 4.232 4.873 1.00 0.00 N ATOM 0 HA GLN A 48 9.964 7.328 3.477 1.00 0.00 H new ATOM 0 HB2 GLN A 48 8.144 4.898 3.430 1.00 0.00 H new ATOM 0 HB3 GLN A 48 9.699 4.980 2.625 1.00 0.00 H new ATOM 0 HG2 GLN A 48 9.378 5.554 5.602 1.00 0.00 H new ATOM 0 HG3 GLN A 48 9.673 3.939 4.989 1.00 0.00 H new ATOM 0 HE21 GLN A 48 11.679 3.316 5.032 1.00 0.00 H new ATOM 0 HE22 GLN A 48 13.114 4.330 4.843 1.00 0.00 H new ATOM 806 N GLY A 49 7.226 6.899 1.680 1.00 0.00 N ATOM 807 CA GLY A 49 6.614 7.195 0.396 1.00 0.00 C ATOM 808 C GLY A 49 5.355 8.046 0.572 1.00 0.00 C ATOM 809 O GLY A 49 4.782 8.095 1.659 1.00 0.00 O ATOM 0 H GLY A 49 6.624 6.399 2.334 1.00 0.00 H new ATOM 0 HA2 GLY A 49 7.327 7.721 -0.238 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.361 6.265 -0.113 1.00 0.00 H new ATOM 813 N CYS A 50 4.961 8.695 -0.514 1.00 0.00 N ATOM 814 CA CYS A 50 3.779 9.541 -0.493 1.00 0.00 C ATOM 815 C CYS A 50 3.043 9.371 -1.823 1.00 0.00 C ATOM 816 O CYS A 50 3.584 9.689 -2.881 1.00 0.00 O ATOM 817 CB CYS A 50 4.136 11.003 -0.221 1.00 0.00 C ATOM 818 SG CYS A 50 5.097 11.684 -1.621 1.00 0.00 S ATOM 0 H CYS A 50 5.439 8.652 -1.414 1.00 0.00 H new ATOM 0 HA CYS A 50 3.125 9.237 0.324 1.00 0.00 H new ATOM 0 HB2 CYS A 50 3.227 11.587 -0.075 1.00 0.00 H new ATOM 0 HB3 CYS A 50 4.715 11.079 0.699 1.00 0.00 H new ATOM 0 HG CYS A 50 4.785 11.048 -2.711 1.00 0.00 H new ATOM 824 N MET A 51 1.820 8.870 -1.727 1.00 0.00 N ATOM 825 CA MET A 51 1.005 8.654 -2.910 1.00 0.00 C ATOM 826 C MET A 51 -0.203 9.594 -2.922 1.00 0.00 C ATOM 827 O MET A 51 -0.853 9.789 -1.896 1.00 0.00 O ATOM 828 CB MET A 51 0.522 7.203 -2.939 1.00 0.00 C ATOM 829 CG MET A 51 0.440 6.681 -4.375 1.00 0.00 C ATOM 830 SD MET A 51 2.040 6.092 -4.903 1.00 0.00 S ATOM 831 CE MET A 51 1.543 4.948 -6.180 1.00 0.00 C ATOM 0 H MET A 51 1.374 8.608 -0.848 1.00 0.00 H new ATOM 0 HA MET A 51 1.613 8.862 -3.790 1.00 0.00 H new ATOM 0 HB2 MET A 51 1.201 6.578 -2.359 1.00 0.00 H new ATOM 0 HB3 MET A 51 -0.458 7.133 -2.466 1.00 0.00 H new ATOM 0 HG2 MET A 51 -0.292 5.875 -4.437 1.00 0.00 H new ATOM 0 HG3 MET A 51 0.098 7.474 -5.040 1.00 0.00 H new ATOM 0 HE1 MET A 51 2.422 4.434 -6.570 1.00 0.00 H new ATOM 0 HE2 MET A 51 0.850 4.217 -5.764 1.00 0.00 H new ATOM 0 HE3 MET A 51 1.053 5.493 -6.987 1.00 0.00 H new ATOM 841 N TYR A 52 -0.465 10.153 -4.094 1.00 0.00 N ATOM 842 CA TYR A 52 -1.583 11.068 -4.254 1.00 0.00 C ATOM 843 C TYR A 52 -2.890 10.304 -4.470 1.00 0.00 C ATOM 844 O TYR A 52 -3.119 9.750 -5.545 1.00 0.00 O ATOM 845 CB TYR A 52 -1.276 11.894 -5.505 1.00 0.00 C ATOM 846 CG TYR A 52 -1.926 13.279 -5.511 1.00 0.00 C ATOM 847 CD1 TYR A 52 -1.915 14.052 -4.367 1.00 0.00 C ATOM 848 CD2 TYR A 52 -2.525 13.755 -6.659 1.00 0.00 C ATOM 849 CE1 TYR A 52 -2.528 15.355 -4.373 1.00 0.00 C ATOM 850 CE2 TYR A 52 -3.137 15.059 -6.665 1.00 0.00 C ATOM 851 CZ TYR A 52 -3.109 15.794 -5.521 1.00 0.00 C ATOM 852 OH TYR A 52 -3.687 17.025 -5.527 1.00 0.00 O ATOM 0 H TYR A 52 0.078 9.990 -4.942 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.704 11.686 -3.364 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.196 12.010 -5.595 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.612 11.343 -6.383 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -1.447 13.679 -3.468 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.535 13.150 -7.553 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -2.526 15.970 -3.485 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -3.607 15.444 -7.558 1.00 0.00 H new ATOM 0 HH TYR A 52 -4.061 17.207 -6.414 1.00 0.00 H new ATOM 862 N LEU A 53 -3.714 10.299 -3.433 1.00 0.00 N ATOM 863 CA LEU A 53 -4.993 9.612 -3.496 1.00 0.00 C ATOM 864 C LEU A 53 -5.852 10.243 -4.593 1.00 0.00 C ATOM 865 O LEU A 53 -6.488 9.535 -5.372 1.00 0.00 O ATOM 866 CB LEU A 53 -5.663 9.599 -2.120 1.00 0.00 C ATOM 867 CG LEU A 53 -4.818 9.053 -0.968 1.00 0.00 C ATOM 868 CD1 LEU A 53 -5.656 8.902 0.303 1.00 0.00 C ATOM 869 CD2 LEU A 53 -4.133 7.743 -1.362 1.00 0.00 C ATOM 0 H LEU A 53 -3.521 10.760 -2.544 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.851 8.565 -3.765 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.962 10.618 -1.874 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.575 9.007 -2.188 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.031 9.775 -0.751 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.031 8.512 1.107 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.056 9.874 0.593 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.479 8.212 0.116 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.539 7.377 -0.525 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.888 7.002 -1.623 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.483 7.916 -2.220 1.00 0.00 H new ATOM 881 N PRO A 54 -5.844 11.603 -4.618 1.00 0.00 N ATOM 882 CA PRO A 54 -6.615 12.337 -5.607 1.00 0.00 C ATOM 883 C PRO A 54 -5.947 12.273 -6.982 1.00 0.00 C ATOM 884 O PRO A 54 -5.683 13.305 -7.597 1.00 0.00 O ATOM 885 CB PRO A 54 -6.711 13.752 -5.059 1.00 0.00 C ATOM 886 CG PRO A 54 -5.605 13.874 -4.024 1.00 0.00 C ATOM 887 CD PRO A 54 -5.103 12.473 -3.711 1.00 0.00 C ATOM 0 HA PRO A 54 -7.608 11.916 -5.763 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -6.585 14.488 -5.853 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -7.688 13.931 -4.610 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.793 14.494 -4.404 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.979 14.356 -3.121 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -4.028 12.392 -3.874 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.288 12.209 -2.670 1.00 0.00 H new ATOM 895 N GLY A 55 -5.694 11.050 -7.424 1.00 0.00 N ATOM 896 CA GLY A 55 -5.062 10.837 -8.715 1.00 0.00 C ATOM 897 C GLY A 55 -4.302 9.509 -8.741 1.00 0.00 C ATOM 898 O GLY A 55 -3.178 9.443 -9.237 1.00 0.00 O ATOM 0 H GLY A 55 -5.915 10.196 -6.911 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.819 10.843 -9.500 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -4.376 11.657 -8.928 1.00 0.00 H new ATOM 902 N CYS A 56 -4.946 8.485 -8.202 1.00 0.00 N ATOM 903 CA CYS A 56 -4.345 7.162 -8.157 1.00 0.00 C ATOM 904 C CYS A 56 -5.378 6.148 -8.652 1.00 0.00 C ATOM 905 O CYS A 56 -6.573 6.439 -8.683 1.00 0.00 O ATOM 906 CB CYS A 56 -3.835 6.820 -6.756 1.00 0.00 C ATOM 907 SG CYS A 56 -2.010 6.947 -6.706 1.00 0.00 S ATOM 0 H CYS A 56 -5.878 8.544 -7.792 1.00 0.00 H new ATOM 0 HA CYS A 56 -3.470 7.135 -8.807 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -4.275 7.498 -6.024 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -4.145 5.811 -6.483 1.00 0.00 H new ATOM 0 HG CYS A 56 -1.669 8.115 -6.249 1.00 0.00 H new ATOM 913 N THR A 57 -4.880 4.979 -9.027 1.00 0.00 N ATOM 914 CA THR A 57 -5.745 3.920 -9.519 1.00 0.00 C ATOM 915 C THR A 57 -5.589 2.663 -8.662 1.00 0.00 C ATOM 916 O THR A 57 -4.514 2.066 -8.618 1.00 0.00 O ATOM 917 CB THR A 57 -5.420 3.692 -10.997 1.00 0.00 C ATOM 918 OG1 THR A 57 -6.123 4.732 -11.671 1.00 0.00 O ATOM 919 CG2 THR A 57 -6.044 2.406 -11.542 1.00 0.00 C ATOM 0 H THR A 57 -3.888 4.742 -9.000 1.00 0.00 H new ATOM 0 HA THR A 57 -6.796 4.200 -9.442 1.00 0.00 H new ATOM 0 HB THR A 57 -4.339 3.655 -11.129 1.00 0.00 H new ATOM 0 HG1 THR A 57 -5.966 4.661 -12.636 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.783 2.292 -12.594 1.00 0.00 H new ATOM 0 HG22 THR A 57 -5.667 1.552 -10.980 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.128 2.456 -11.441 1.00 0.00 H new ATOM 927 N ILE A 58 -6.678 2.297 -8.001 1.00 0.00 N ATOM 928 CA ILE A 58 -6.675 1.121 -7.147 1.00 0.00 C ATOM 929 C ILE A 58 -7.236 -0.070 -7.926 1.00 0.00 C ATOM 930 O ILE A 58 -8.434 -0.132 -8.196 1.00 0.00 O ATOM 931 CB ILE A 58 -7.418 1.406 -5.840 1.00 0.00 C ATOM 932 CG1 ILE A 58 -6.698 2.481 -5.024 1.00 0.00 C ATOM 933 CG2 ILE A 58 -7.628 0.121 -5.037 1.00 0.00 C ATOM 934 CD1 ILE A 58 -7.514 3.775 -4.981 1.00 0.00 C ATOM 0 H ILE A 58 -7.568 2.794 -8.040 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.656 0.862 -6.858 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.406 1.796 -6.086 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.528 2.120 -4.010 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.719 2.679 -5.460 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.158 0.352 -4.113 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.215 -0.584 -5.626 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.661 -0.322 -4.799 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.980 4.523 -4.395 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -7.661 4.146 -5.995 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -8.483 3.579 -4.522 1.00 0.00 H new ATOM 946 N LYS A 59 -6.342 -0.988 -8.265 1.00 0.00 N ATOM 947 CA LYS A 59 -6.733 -2.174 -9.008 1.00 0.00 C ATOM 948 C LYS A 59 -6.449 -3.417 -8.161 1.00 0.00 C ATOM 949 O LYS A 59 -5.461 -3.462 -7.431 1.00 0.00 O ATOM 950 CB LYS A 59 -6.054 -2.196 -10.379 1.00 0.00 C ATOM 951 CG LYS A 59 -6.622 -1.105 -11.289 1.00 0.00 C ATOM 952 CD LYS A 59 -5.528 -0.506 -12.176 1.00 0.00 C ATOM 953 CE LYS A 59 -4.756 -1.604 -12.910 1.00 0.00 C ATOM 954 NZ LYS A 59 -3.550 -1.990 -12.144 1.00 0.00 N ATOM 0 H LYS A 59 -5.349 -0.934 -8.039 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.804 -2.162 -9.209 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.980 -2.052 -10.259 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.195 -3.172 -10.843 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.413 -1.522 -11.912 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -7.074 -0.320 -10.683 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.974 0.176 -12.900 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.841 0.081 -11.566 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.397 -2.474 -13.053 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.468 -1.254 -13.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.700 -1.663 -12.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.584 -1.554 -11.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.518 -3.025 -12.046 1.00 0.00 H new ATOM 968 N GLU A 60 -7.334 -4.395 -8.288 1.00 0.00 N ATOM 969 CA GLU A 60 -7.191 -5.635 -7.544 1.00 0.00 C ATOM 970 C GLU A 60 -6.347 -6.635 -8.337 1.00 0.00 C ATOM 971 O GLU A 60 -6.885 -7.467 -9.065 1.00 0.00 O ATOM 972 CB GLU A 60 -8.558 -6.226 -7.196 1.00 0.00 C ATOM 973 CG GLU A 60 -9.350 -5.280 -6.290 1.00 0.00 C ATOM 974 CD GLU A 60 -10.848 -5.582 -6.358 1.00 0.00 C ATOM 975 OE1 GLU A 60 -11.467 -5.162 -7.360 1.00 0.00 O ATOM 976 OE2 GLU A 60 -11.341 -6.227 -5.407 1.00 0.00 O ATOM 0 H GLU A 60 -8.153 -4.354 -8.895 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.677 -5.417 -6.608 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.120 -6.415 -8.111 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.427 -7.187 -6.698 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.002 -5.379 -5.262 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.170 -4.248 -6.590 1.00 0.00 H new ATOM 983 N ILE A 61 -5.037 -6.520 -8.168 1.00 0.00 N ATOM 984 CA ILE A 61 -4.114 -7.404 -8.859 1.00 0.00 C ATOM 985 C ILE A 61 -4.261 -8.822 -8.304 1.00 0.00 C ATOM 986 O ILE A 61 -4.606 -9.004 -7.137 1.00 0.00 O ATOM 987 CB ILE A 61 -2.687 -6.857 -8.778 1.00 0.00 C ATOM 988 CG1 ILE A 61 -2.674 -5.335 -8.931 1.00 0.00 C ATOM 989 CG2 ILE A 61 -1.778 -7.544 -9.799 1.00 0.00 C ATOM 990 CD1 ILE A 61 -3.524 -4.897 -10.126 1.00 0.00 C ATOM 0 H ILE A 61 -4.594 -5.829 -7.563 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.354 -7.450 -9.921 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.289 -7.084 -7.789 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.054 -4.871 -8.021 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.649 -4.988 -9.062 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.770 -7.137 -9.721 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.753 -8.616 -9.601 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.162 -7.370 -10.804 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.498 -3.811 -10.212 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.127 -5.343 -11.038 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.553 -5.225 -9.980 1.00 0.00 H new ATOM 1123 N PHE A 71 -6.502 -11.565 -2.047 1.00 0.00 N ATOM 1124 CA PHE A 71 -6.749 -10.160 -1.773 1.00 0.00 C ATOM 1125 C PHE A 71 -5.489 -9.325 -2.010 1.00 0.00 C ATOM 1126 O PHE A 71 -4.740 -9.046 -1.075 1.00 0.00 O ATOM 1127 CB PHE A 71 -7.146 -10.055 -0.299 1.00 0.00 C ATOM 1128 CG PHE A 71 -8.239 -11.039 0.122 1.00 0.00 C ATOM 1129 CD1 PHE A 71 -9.400 -11.108 -0.582 1.00 0.00 C ATOM 1130 CD2 PHE A 71 -8.050 -11.844 1.202 1.00 0.00 C ATOM 1131 CE1 PHE A 71 -10.415 -12.021 -0.191 1.00 0.00 C ATOM 1132 CE2 PHE A 71 -9.064 -12.758 1.593 1.00 0.00 C ATOM 1133 CZ PHE A 71 -10.226 -12.827 0.888 1.00 0.00 C ATOM 0 HA PHE A 71 -7.531 -9.784 -2.433 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.263 -10.223 0.317 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -7.488 -9.040 -0.097 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -9.550 -10.468 -1.439 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -7.128 -11.788 1.762 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -11.337 -12.075 -0.751 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -8.913 -13.398 2.450 1.00 0.00 H new ATOM 0 HZ PHE A 71 -10.998 -13.522 1.185 1.00 0.00 H new ATOM 1143 N VAL A 72 -5.294 -8.950 -3.266 1.00 0.00 N ATOM 1144 CA VAL A 72 -4.137 -8.153 -3.637 1.00 0.00 C ATOM 1145 C VAL A 72 -4.592 -6.972 -4.498 1.00 0.00 C ATOM 1146 O VAL A 72 -5.399 -7.140 -5.411 1.00 0.00 O ATOM 1147 CB VAL A 72 -3.096 -9.033 -4.332 1.00 0.00 C ATOM 1148 CG1 VAL A 72 -1.910 -8.199 -4.819 1.00 0.00 C ATOM 1149 CG2 VAL A 72 -2.631 -10.163 -3.411 1.00 0.00 C ATOM 0 H VAL A 72 -5.917 -9.183 -4.039 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.655 -7.743 -2.749 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.568 -9.485 -5.205 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.185 -8.849 -5.309 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.260 -7.447 -5.526 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.439 -7.706 -3.969 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.891 -10.774 -3.929 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -2.185 -9.739 -2.511 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -3.485 -10.783 -3.136 1.00 0.00 H new ATOM 1159 N PHE A 73 -4.055 -5.805 -4.175 1.00 0.00 N ATOM 1160 CA PHE A 73 -4.396 -4.597 -4.908 1.00 0.00 C ATOM 1161 C PHE A 73 -3.193 -3.656 -5.003 1.00 0.00 C ATOM 1162 O PHE A 73 -2.467 -3.469 -4.027 1.00 0.00 O ATOM 1163 CB PHE A 73 -5.512 -3.900 -4.127 1.00 0.00 C ATOM 1164 CG PHE A 73 -5.033 -3.177 -2.867 1.00 0.00 C ATOM 1165 CD1 PHE A 73 -4.706 -3.889 -1.756 1.00 0.00 C ATOM 1166 CD2 PHE A 73 -4.933 -1.820 -2.859 1.00 0.00 C ATOM 1167 CE1 PHE A 73 -4.261 -3.217 -0.587 1.00 0.00 C ATOM 1168 CE2 PHE A 73 -4.487 -1.148 -1.690 1.00 0.00 C ATOM 1169 CZ PHE A 73 -4.161 -1.861 -0.579 1.00 0.00 C ATOM 0 H PHE A 73 -3.387 -5.670 -3.416 1.00 0.00 H new ATOM 0 HA PHE A 73 -4.706 -4.852 -5.921 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.004 -3.180 -4.781 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -6.261 -4.640 -3.846 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.785 -4.966 -1.763 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -5.193 -1.254 -3.741 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -4.002 -3.783 0.296 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -4.407 -0.071 -1.683 1.00 0.00 H new ATOM 0 HZ PHE A 73 -3.822 -1.350 0.310 1.00 0.00 H new ATOM 1179 N GLU A 74 -3.019 -3.088 -6.188 1.00 0.00 N ATOM 1180 CA GLU A 74 -1.917 -2.171 -6.423 1.00 0.00 C ATOM 1181 C GLU A 74 -2.449 -0.779 -6.766 1.00 0.00 C ATOM 1182 O GLU A 74 -3.486 -0.649 -7.414 1.00 0.00 O ATOM 1183 CB GLU A 74 -0.995 -2.694 -7.528 1.00 0.00 C ATOM 1184 CG GLU A 74 -1.360 -2.081 -8.881 1.00 0.00 C ATOM 1185 CD GLU A 74 -0.836 -2.942 -10.032 1.00 0.00 C ATOM 1186 OE1 GLU A 74 0.205 -3.601 -9.820 1.00 0.00 O ATOM 1187 OE2 GLU A 74 -1.488 -2.923 -11.098 1.00 0.00 O ATOM 0 H GLU A 74 -3.623 -3.245 -6.995 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.329 -2.098 -5.508 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.041 -2.457 -7.285 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.069 -3.780 -7.585 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.443 -1.982 -8.959 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.942 -1.077 -8.954 1.00 0.00 H new ATOM 1194 N ILE A 75 -1.714 0.228 -6.316 1.00 0.00 N ATOM 1195 CA ILE A 75 -2.099 1.606 -6.567 1.00 0.00 C ATOM 1196 C ILE A 75 -1.152 2.216 -7.602 1.00 0.00 C ATOM 1197 O ILE A 75 0.067 2.101 -7.478 1.00 0.00 O ATOM 1198 CB ILE A 75 -2.164 2.392 -5.256 1.00 0.00 C ATOM 1199 CG1 ILE A 75 -2.862 1.578 -4.164 1.00 0.00 C ATOM 1200 CG2 ILE A 75 -2.826 3.755 -5.466 1.00 0.00 C ATOM 1201 CD1 ILE A 75 -2.004 1.511 -2.898 1.00 0.00 C ATOM 0 H ILE A 75 -0.854 0.117 -5.779 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.103 1.649 -6.988 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.145 2.578 -4.918 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.827 2.028 -3.930 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -3.060 0.570 -4.527 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -2.859 4.293 -4.519 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -2.251 4.331 -6.190 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.840 3.613 -5.839 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.523 0.927 -2.138 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.049 1.039 -3.130 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.828 2.520 -2.524 1.00 0.00 H new ATOM 1213 N ILE A 76 -1.747 2.851 -8.601 1.00 0.00 N ATOM 1214 CA ILE A 76 -0.971 3.478 -9.658 1.00 0.00 C ATOM 1215 C ILE A 76 -1.103 4.998 -9.547 1.00 0.00 C ATOM 1216 O ILE A 76 -2.211 5.524 -9.453 1.00 0.00 O ATOM 1217 CB ILE A 76 -1.379 2.924 -11.024 1.00 0.00 C ATOM 1218 CG1 ILE A 76 -1.207 1.404 -11.073 1.00 0.00 C ATOM 1219 CG2 ILE A 76 -0.615 3.623 -12.150 1.00 0.00 C ATOM 1220 CD1 ILE A 76 -2.547 0.708 -11.321 1.00 0.00 C ATOM 0 H ILE A 76 -2.758 2.945 -8.701 1.00 0.00 H new ATOM 0 HA ILE A 76 0.087 3.239 -9.547 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.438 3.134 -11.175 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.504 1.139 -11.863 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.779 1.052 -10.134 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -0.924 3.210 -13.110 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.831 4.691 -12.128 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.455 3.466 -12.015 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.396 -0.371 -11.351 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.240 0.955 -10.517 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.961 1.043 -12.272 1.00 0.00 H new ATOM 1232 N PRO A 77 0.074 5.680 -9.562 1.00 0.00 N ATOM 1233 CA PRO A 77 0.101 7.129 -9.464 1.00 0.00 C ATOM 1234 C PRO A 77 -0.330 7.776 -10.782 1.00 0.00 C ATOM 1235 O PRO A 77 0.489 7.968 -11.680 1.00 0.00 O ATOM 1236 CB PRO A 77 1.530 7.471 -9.074 1.00 0.00 C ATOM 1237 CG PRO A 77 2.361 6.246 -9.420 1.00 0.00 C ATOM 1238 CD PRO A 77 1.406 5.091 -9.671 1.00 0.00 C ATOM 0 HA PRO A 77 -0.602 7.513 -8.725 1.00 0.00 H new ATOM 0 HB2 PRO A 77 1.883 8.348 -9.616 1.00 0.00 H new ATOM 0 HB3 PRO A 77 1.600 7.703 -8.011 1.00 0.00 H new ATOM 0 HG2 PRO A 77 2.971 6.436 -10.303 1.00 0.00 H new ATOM 0 HG3 PRO A 77 3.045 6.006 -8.606 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.565 4.652 -10.656 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.548 4.294 -8.941 1.00 0.00 H new ATOM 1411 N SER A 89 3.905 0.603 -9.888 1.00 0.00 N ATOM 1412 CA SER A 89 2.734 0.884 -9.074 1.00 0.00 C ATOM 1413 C SER A 89 2.954 0.375 -7.648 1.00 0.00 C ATOM 1414 O SER A 89 3.875 -0.401 -7.397 1.00 0.00 O ATOM 1415 CB SER A 89 1.480 0.248 -9.677 1.00 0.00 C ATOM 1416 OG SER A 89 1.688 -1.117 -10.027 1.00 0.00 O ATOM 0 HA SER A 89 2.585 1.964 -9.049 1.00 0.00 H new ATOM 0 HB2 SER A 89 0.659 0.318 -8.963 1.00 0.00 H new ATOM 0 HB3 SER A 89 1.180 0.808 -10.563 1.00 0.00 H new ATOM 0 HG SER A 89 2.636 -1.262 -10.228 1.00 0.00 H new ATOM 1422 N TYR A 90 2.092 0.832 -6.751 1.00 0.00 N ATOM 1423 CA TYR A 90 2.181 0.433 -5.357 1.00 0.00 C ATOM 1424 C TYR A 90 1.438 -0.883 -5.116 1.00 0.00 C ATOM 1425 O TYR A 90 0.244 -0.882 -4.819 1.00 0.00 O ATOM 1426 CB TYR A 90 1.498 1.544 -4.556 1.00 0.00 C ATOM 1427 CG TYR A 90 2.471 2.532 -3.909 1.00 0.00 C ATOM 1428 CD1 TYR A 90 3.731 2.709 -4.443 1.00 0.00 C ATOM 1429 CD2 TYR A 90 2.088 3.245 -2.792 1.00 0.00 C ATOM 1430 CE1 TYR A 90 4.646 3.639 -3.834 1.00 0.00 C ATOM 1431 CE2 TYR A 90 3.003 4.175 -2.183 1.00 0.00 C ATOM 1432 CZ TYR A 90 4.237 4.326 -2.734 1.00 0.00 C ATOM 1433 OH TYR A 90 5.102 5.204 -2.159 1.00 0.00 O ATOM 0 H TYR A 90 1.329 1.475 -6.963 1.00 0.00 H new ATOM 0 HA TYR A 90 3.221 0.286 -5.065 1.00 0.00 H new ATOM 0 HB2 TYR A 90 0.825 2.092 -5.215 1.00 0.00 H new ATOM 0 HB3 TYR A 90 0.884 1.092 -3.777 1.00 0.00 H new ATOM 0 HD1 TYR A 90 4.031 2.150 -5.317 1.00 0.00 H new ATOM 0 HD2 TYR A 90 1.102 3.106 -2.374 1.00 0.00 H new ATOM 0 HE1 TYR A 90 5.635 3.788 -4.242 1.00 0.00 H new ATOM 0 HE2 TYR A 90 2.716 4.740 -1.308 1.00 0.00 H new ATOM 0 HH TYR A 90 4.675 5.623 -1.383 1.00 0.00 H new ATOM 1443 N VAL A 91 2.176 -1.975 -5.251 1.00 0.00 N ATOM 1444 CA VAL A 91 1.603 -3.295 -5.051 1.00 0.00 C ATOM 1445 C VAL A 91 1.440 -3.554 -3.552 1.00 0.00 C ATOM 1446 O VAL A 91 2.405 -3.892 -2.868 1.00 0.00 O ATOM 1447 CB VAL A 91 2.463 -4.351 -5.749 1.00 0.00 C ATOM 1448 CG1 VAL A 91 1.901 -5.755 -5.521 1.00 0.00 C ATOM 1449 CG2 VAL A 91 2.595 -4.049 -7.244 1.00 0.00 C ATOM 0 H VAL A 91 3.166 -1.973 -5.497 1.00 0.00 H new ATOM 0 HA VAL A 91 0.612 -3.352 -5.501 1.00 0.00 H new ATOM 0 HB VAL A 91 3.460 -4.315 -5.310 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.531 -6.486 -6.028 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.883 -5.970 -4.453 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.888 -5.811 -5.920 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.211 -4.814 -7.717 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.606 -4.044 -7.703 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.062 -3.073 -7.378 1.00 0.00 H new ATOM 1459 N LEU A 92 0.211 -3.385 -3.085 1.00 0.00 N ATOM 1460 CA LEU A 92 -0.091 -3.596 -1.680 1.00 0.00 C ATOM 1461 C LEU A 92 -0.928 -4.868 -1.528 1.00 0.00 C ATOM 1462 O LEU A 92 -1.792 -5.149 -2.356 1.00 0.00 O ATOM 1463 CB LEU A 92 -0.749 -2.352 -1.080 1.00 0.00 C ATOM 1464 CG LEU A 92 -0.054 -1.020 -1.370 1.00 0.00 C ATOM 1465 CD1 LEU A 92 -0.626 0.099 -0.497 1.00 0.00 C ATOM 1466 CD2 LEU A 92 1.463 -1.149 -1.216 1.00 0.00 C ATOM 0 H LEU A 92 -0.587 -3.104 -3.655 1.00 0.00 H new ATOM 0 HA LEU A 92 0.827 -3.748 -1.112 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.773 -2.293 -1.449 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.807 -2.481 0.001 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.251 -0.751 -2.408 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.114 1.035 -0.723 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.691 0.210 -0.699 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.480 -0.149 0.554 1.00 0.00 H new ATOM 0 HD21 LEU A 92 1.933 -0.189 -1.428 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.701 -1.453 -0.196 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.837 -1.898 -1.914 1.00 0.00 H new ATOM 1478 N MET A 93 -0.642 -5.603 -0.463 1.00 0.00 N ATOM 1479 CA MET A 93 -1.357 -6.838 -0.192 1.00 0.00 C ATOM 1480 C MET A 93 -1.817 -6.896 1.266 1.00 0.00 C ATOM 1481 O MET A 93 -1.084 -6.495 2.169 1.00 0.00 O ATOM 1482 CB MET A 93 -0.447 -8.031 -0.488 1.00 0.00 C ATOM 1483 CG MET A 93 -1.091 -9.340 -0.028 1.00 0.00 C ATOM 1484 SD MET A 93 -0.508 -10.695 -1.033 1.00 0.00 S ATOM 1485 CE MET A 93 1.242 -10.601 -0.695 1.00 0.00 C ATOM 0 H MET A 93 0.075 -5.366 0.222 1.00 0.00 H new ATOM 0 HA MET A 93 -2.238 -6.874 -0.833 1.00 0.00 H new ATOM 0 HB2 MET A 93 -0.241 -8.079 -1.557 1.00 0.00 H new ATOM 0 HB3 MET A 93 0.510 -7.896 0.015 1.00 0.00 H new ATOM 0 HG2 MET A 93 -0.851 -9.524 1.019 1.00 0.00 H new ATOM 0 HG3 MET A 93 -2.176 -9.265 -0.098 1.00 0.00 H new ATOM 0 HE1 MET A 93 1.783 -11.233 -1.400 1.00 0.00 H new ATOM 0 HE2 MET A 93 1.578 -9.569 -0.800 1.00 0.00 H new ATOM 0 HE3 MET A 93 1.435 -10.943 0.322 1.00 0.00 H new ATOM 1495 N ALA A 94 -3.029 -7.400 1.451 1.00 0.00 N ATOM 1496 CA ALA A 94 -3.596 -7.516 2.784 1.00 0.00 C ATOM 1497 C ALA A 94 -3.707 -8.995 3.159 1.00 0.00 C ATOM 1498 O ALA A 94 -3.656 -9.865 2.291 1.00 0.00 O ATOM 1499 CB ALA A 94 -4.947 -6.799 2.829 1.00 0.00 C ATOM 0 H ALA A 94 -3.634 -7.733 0.700 1.00 0.00 H new ATOM 0 HA ALA A 94 -2.949 -7.037 3.519 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.372 -6.886 3.829 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -4.808 -5.746 2.584 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -5.624 -7.253 2.106 1.00 0.00 H new ATOM 1505 N SER A 95 -3.857 -9.234 4.454 1.00 0.00 N ATOM 1506 CA SER A 95 -3.976 -10.593 4.954 1.00 0.00 C ATOM 1507 C SER A 95 -5.411 -11.094 4.772 1.00 0.00 C ATOM 1508 O SER A 95 -5.628 -12.193 4.264 1.00 0.00 O ATOM 1509 CB SER A 95 -3.568 -10.676 6.426 1.00 0.00 C ATOM 1510 OG SER A 95 -3.959 -11.910 7.021 1.00 0.00 O ATOM 0 H SER A 95 -3.899 -8.510 5.171 1.00 0.00 H new ATOM 0 HA SER A 95 -3.300 -11.228 4.381 1.00 0.00 H new ATOM 0 HB2 SER A 95 -2.487 -10.560 6.509 1.00 0.00 H new ATOM 0 HB3 SER A 95 -4.021 -9.850 6.974 1.00 0.00 H new ATOM 0 HG SER A 95 -3.679 -11.924 7.960 1.00 0.00 H new ATOM 1516 N SER A 96 -6.352 -10.264 5.197 1.00 0.00 N ATOM 1517 CA SER A 96 -7.759 -10.609 5.087 1.00 0.00 C ATOM 1518 C SER A 96 -8.458 -9.653 4.119 1.00 0.00 C ATOM 1519 O SER A 96 -7.885 -8.641 3.718 1.00 0.00 O ATOM 1520 CB SER A 96 -8.443 -10.573 6.455 1.00 0.00 C ATOM 1521 OG SER A 96 -8.063 -11.677 7.272 1.00 0.00 O ATOM 0 H SER A 96 -6.168 -9.353 5.618 1.00 0.00 H new ATOM 0 HA SER A 96 -7.833 -11.625 4.700 1.00 0.00 H new ATOM 0 HB2 SER A 96 -8.189 -9.642 6.963 1.00 0.00 H new ATOM 0 HB3 SER A 96 -9.525 -10.578 6.320 1.00 0.00 H new ATOM 0 HG SER A 96 -8.520 -11.616 8.137 1.00 0.00 H new ATOM 1527 N GLN A 97 -9.687 -10.007 3.771 1.00 0.00 N ATOM 1528 CA GLN A 97 -10.470 -9.193 2.857 1.00 0.00 C ATOM 1529 C GLN A 97 -11.004 -7.953 3.576 1.00 0.00 C ATOM 1530 O GLN A 97 -10.905 -6.841 3.060 1.00 0.00 O ATOM 1531 CB GLN A 97 -11.612 -10.005 2.242 1.00 0.00 C ATOM 1532 CG GLN A 97 -12.475 -9.131 1.329 1.00 0.00 C ATOM 1533 CD GLN A 97 -13.587 -9.954 0.674 1.00 0.00 C ATOM 1534 OE1 GLN A 97 -13.540 -11.171 0.613 1.00 0.00 O ATOM 1535 NE2 GLN A 97 -14.587 -9.223 0.190 1.00 0.00 N ATOM 0 H GLN A 97 -10.159 -10.847 4.106 1.00 0.00 H new ATOM 0 HA GLN A 97 -9.821 -8.866 2.044 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -11.204 -10.840 1.673 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -12.229 -10.430 3.034 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -12.912 -8.316 1.906 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -11.852 -8.677 0.559 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -14.563 -8.207 0.275 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -15.378 -9.679 -0.266 1.00 0.00 H new ATOM 1544 N ALA A 98 -11.559 -8.185 4.757 1.00 0.00 N ATOM 1545 CA ALA A 98 -12.109 -7.101 5.552 1.00 0.00 C ATOM 1546 C ALA A 98 -11.066 -5.989 5.681 1.00 0.00 C ATOM 1547 O ALA A 98 -11.416 -4.817 5.817 1.00 0.00 O ATOM 1548 CB ALA A 98 -12.557 -7.640 6.912 1.00 0.00 C ATOM 0 H ALA A 98 -11.639 -9.109 5.182 1.00 0.00 H new ATOM 0 HA ALA A 98 -12.987 -6.676 5.065 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -12.970 -6.826 7.508 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -13.319 -8.406 6.767 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -11.702 -8.073 7.431 1.00 0.00 H new ATOM 1554 N GLU A 99 -9.806 -6.395 5.632 1.00 0.00 N ATOM 1555 CA GLU A 99 -8.710 -5.447 5.742 1.00 0.00 C ATOM 1556 C GLU A 99 -8.530 -4.689 4.425 1.00 0.00 C ATOM 1557 O GLU A 99 -8.468 -3.461 4.415 1.00 0.00 O ATOM 1558 CB GLU A 99 -7.414 -6.152 6.150 1.00 0.00 C ATOM 1559 CG GLU A 99 -6.327 -5.137 6.508 1.00 0.00 C ATOM 1560 CD GLU A 99 -6.178 -5.005 8.025 1.00 0.00 C ATOM 1561 OE1 GLU A 99 -5.645 -5.961 8.628 1.00 0.00 O ATOM 1562 OE2 GLU A 99 -6.601 -3.951 8.547 1.00 0.00 O ATOM 0 H GLU A 99 -9.519 -7.367 5.518 1.00 0.00 H new ATOM 0 HA GLU A 99 -8.955 -4.727 6.523 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -7.603 -6.804 7.003 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -7.069 -6.787 5.334 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -5.377 -5.447 6.071 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -6.575 -4.167 6.078 1.00 0.00 H new ATOM 1569 N MET A 100 -8.450 -5.453 3.345 1.00 0.00 N ATOM 1570 CA MET A 100 -8.279 -4.869 2.026 1.00 0.00 C ATOM 1571 C MET A 100 -9.458 -3.961 1.671 1.00 0.00 C ATOM 1572 O MET A 100 -9.273 -2.905 1.068 1.00 0.00 O ATOM 1573 CB MET A 100 -8.161 -5.984 0.985 1.00 0.00 C ATOM 1574 CG MET A 100 -7.882 -5.409 -0.405 1.00 0.00 C ATOM 1575 SD MET A 100 -9.410 -4.898 -1.173 1.00 0.00 S ATOM 1576 CE MET A 100 -10.258 -6.467 -1.249 1.00 0.00 C ATOM 0 H MET A 100 -8.501 -6.472 3.357 1.00 0.00 H new ATOM 0 HA MET A 100 -7.370 -4.267 2.031 1.00 0.00 H new ATOM 0 HB2 MET A 100 -7.360 -6.667 1.268 1.00 0.00 H new ATOM 0 HB3 MET A 100 -9.083 -6.566 0.964 1.00 0.00 H new ATOM 0 HG2 MET A 100 -7.203 -4.560 -0.327 1.00 0.00 H new ATOM 0 HG3 MET A 100 -7.387 -6.157 -1.024 1.00 0.00 H new ATOM 0 HE1 MET A 100 -10.900 -6.492 -2.130 1.00 0.00 H new ATOM 0 HE2 MET A 100 -9.527 -7.273 -1.310 1.00 0.00 H new ATOM 0 HE3 MET A 100 -10.866 -6.596 -0.354 1.00 0.00 H new ATOM 1586 N GLU A 101 -10.644 -4.406 2.060 1.00 0.00 N ATOM 1587 CA GLU A 101 -11.853 -3.647 1.790 1.00 0.00 C ATOM 1588 C GLU A 101 -11.799 -2.292 2.499 1.00 0.00 C ATOM 1589 O GLU A 101 -12.191 -1.274 1.930 1.00 0.00 O ATOM 1590 CB GLU A 101 -13.098 -4.433 2.205 1.00 0.00 C ATOM 1591 CG GLU A 101 -13.843 -4.967 0.980 1.00 0.00 C ATOM 1592 CD GLU A 101 -14.123 -3.846 -0.023 1.00 0.00 C ATOM 1593 OE1 GLU A 101 -14.868 -2.917 0.357 1.00 0.00 O ATOM 1594 OE2 GLU A 101 -13.585 -3.943 -1.147 1.00 0.00 O ATOM 0 H GLU A 101 -10.793 -5.282 2.560 1.00 0.00 H new ATOM 0 HA GLU A 101 -11.916 -3.471 0.716 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -12.810 -5.263 2.850 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -13.760 -3.792 2.787 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -13.252 -5.748 0.502 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -14.782 -5.424 1.292 1.00 0.00 H new ATOM 1601 N GLU A 102 -11.310 -2.323 3.730 1.00 0.00 N ATOM 1602 CA GLU A 102 -11.199 -1.110 4.522 1.00 0.00 C ATOM 1603 C GLU A 102 -10.215 -0.137 3.868 1.00 0.00 C ATOM 1604 O GLU A 102 -10.565 1.007 3.584 1.00 0.00 O ATOM 1605 CB GLU A 102 -10.781 -1.430 5.959 1.00 0.00 C ATOM 1606 CG GLU A 102 -11.410 -0.444 6.945 1.00 0.00 C ATOM 1607 CD GLU A 102 -12.869 -0.807 7.228 1.00 0.00 C ATOM 1608 OE1 GLU A 102 -13.075 -1.790 7.972 1.00 0.00 O ATOM 1609 OE2 GLU A 102 -13.745 -0.093 6.695 1.00 0.00 O ATOM 0 H GLU A 102 -10.986 -3.169 4.198 1.00 0.00 H new ATOM 0 HA GLU A 102 -12.179 -0.634 4.561 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -11.084 -2.446 6.212 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -9.695 -1.391 6.043 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -10.844 -0.445 7.877 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -11.355 0.566 6.540 1.00 0.00 H new ATOM 1616 N TRP A 103 -9.004 -0.628 3.650 1.00 0.00 N ATOM 1617 CA TRP A 103 -7.968 0.184 3.035 1.00 0.00 C ATOM 1618 C TRP A 103 -8.513 0.725 1.712 1.00 0.00 C ATOM 1619 O TRP A 103 -8.702 1.931 1.562 1.00 0.00 O ATOM 1620 CB TRP A 103 -6.674 -0.615 2.866 1.00 0.00 C ATOM 1621 CG TRP A 103 -5.735 -0.541 4.072 1.00 0.00 C ATOM 1622 CD1 TRP A 103 -5.366 -1.535 4.892 1.00 0.00 C ATOM 1623 CD2 TRP A 103 -5.057 0.634 4.563 1.00 0.00 C ATOM 1624 NE1 TRP A 103 -4.503 -1.088 5.872 1.00 0.00 N ATOM 1625 CE2 TRP A 103 -4.309 0.273 5.666 1.00 0.00 C ATOM 1626 CE3 TRP A 103 -5.074 1.958 4.092 1.00 0.00 C ATOM 1627 CZ2 TRP A 103 -3.523 1.178 6.389 1.00 0.00 C ATOM 1628 CZ3 TRP A 103 -4.284 2.851 4.826 1.00 0.00 C ATOM 1629 CH2 TRP A 103 -3.526 2.504 5.938 1.00 0.00 C ATOM 0 H TRP A 103 -8.717 -1.577 3.888 1.00 0.00 H new ATOM 0 HA TRP A 103 -7.709 1.027 3.675 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -6.925 -1.659 2.678 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -6.146 -0.250 1.985 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -5.702 -2.557 4.798 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -4.085 -1.652 6.611 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -5.651 2.263 3.231 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -2.945 0.870 7.248 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -4.262 3.882 4.505 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -2.942 3.253 6.452 1.00 0.00 H new ATOM 1640 N VAL A 104 -8.751 -0.193 0.787 1.00 0.00 N ATOM 1641 CA VAL A 104 -9.271 0.177 -0.518 1.00 0.00 C ATOM 1642 C VAL A 104 -10.374 1.223 -0.345 1.00 0.00 C ATOM 1643 O VAL A 104 -10.353 2.266 -0.996 1.00 0.00 O ATOM 1644 CB VAL A 104 -9.743 -1.072 -1.266 1.00 0.00 C ATOM 1645 CG1 VAL A 104 -10.584 -0.694 -2.488 1.00 0.00 C ATOM 1646 CG2 VAL A 104 -8.557 -1.951 -1.668 1.00 0.00 C ATOM 0 H VAL A 104 -8.593 -1.192 0.916 1.00 0.00 H new ATOM 0 HA VAL A 104 -8.488 0.628 -1.127 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.374 -1.649 -0.590 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -10.907 -1.600 -3.002 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -11.458 -0.128 -2.167 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -9.987 -0.085 -3.167 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -8.920 -2.832 -2.198 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -7.889 -1.386 -2.318 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -8.016 -2.263 -0.775 1.00 0.00 H new ATOM 1656 N LYS A 105 -11.312 0.907 0.536 1.00 0.00 N ATOM 1657 CA LYS A 105 -12.421 1.807 0.803 1.00 0.00 C ATOM 1658 C LYS A 105 -11.884 3.224 1.015 1.00 0.00 C ATOM 1659 O LYS A 105 -12.171 4.125 0.229 1.00 0.00 O ATOM 1660 CB LYS A 105 -13.263 1.288 1.970 1.00 0.00 C ATOM 1661 CG LYS A 105 -14.382 2.271 2.319 1.00 0.00 C ATOM 1662 CD LYS A 105 -13.987 3.154 3.504 1.00 0.00 C ATOM 1663 CE LYS A 105 -14.491 2.562 4.822 1.00 0.00 C ATOM 1664 NZ LYS A 105 -15.170 3.599 5.630 1.00 0.00 N ATOM 0 H LYS A 105 -11.327 0.040 1.074 1.00 0.00 H new ATOM 0 HA LYS A 105 -13.094 1.846 -0.054 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -13.692 0.320 1.711 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -12.627 1.132 2.841 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -14.605 2.896 1.454 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -15.292 1.721 2.558 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -12.903 3.258 3.539 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -14.399 4.154 3.370 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -15.180 1.742 4.619 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -13.655 2.145 5.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -15.506 3.180 6.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -14.502 4.369 5.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -15.980 3.978 5.099 1.00 0.00 H new ATOM 1678 N PHE A 106 -11.113 3.376 2.082 1.00 0.00 N ATOM 1679 CA PHE A 106 -10.533 4.668 2.408 1.00 0.00 C ATOM 1680 C PHE A 106 -9.750 5.232 1.221 1.00 0.00 C ATOM 1681 O PHE A 106 -9.945 6.384 0.835 1.00 0.00 O ATOM 1682 CB PHE A 106 -9.572 4.445 3.577 1.00 0.00 C ATOM 1683 CG PHE A 106 -10.255 4.409 4.946 1.00 0.00 C ATOM 1684 CD1 PHE A 106 -10.809 5.541 5.459 1.00 0.00 C ATOM 1685 CD2 PHE A 106 -10.308 3.247 5.650 1.00 0.00 C ATOM 1686 CE1 PHE A 106 -11.443 5.508 6.729 1.00 0.00 C ATOM 1687 CE2 PHE A 106 -10.942 3.214 6.920 1.00 0.00 C ATOM 1688 CZ PHE A 106 -11.496 4.345 7.433 1.00 0.00 C ATOM 0 H PHE A 106 -10.877 2.626 2.732 1.00 0.00 H new ATOM 0 HA PHE A 106 -11.322 5.377 2.659 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -9.040 3.506 3.423 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -8.825 5.238 3.576 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -10.766 6.464 4.900 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -9.868 2.349 5.243 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -11.883 6.406 7.136 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -10.984 2.291 7.479 1.00 0.00 H new ATOM 0 HZ PHE A 106 -11.978 4.320 8.399 1.00 0.00 H new ATOM 1698 N LEU A 107 -8.881 4.395 0.674 1.00 0.00 N ATOM 1699 CA LEU A 107 -8.068 4.796 -0.462 1.00 0.00 C ATOM 1700 C LEU A 107 -8.978 5.315 -1.577 1.00 0.00 C ATOM 1701 O LEU A 107 -8.978 6.507 -1.878 1.00 0.00 O ATOM 1702 CB LEU A 107 -7.154 3.649 -0.897 1.00 0.00 C ATOM 1703 CG LEU A 107 -6.074 3.235 0.104 1.00 0.00 C ATOM 1704 CD1 LEU A 107 -5.614 1.798 -0.149 1.00 0.00 C ATOM 1705 CD2 LEU A 107 -4.905 4.222 0.089 1.00 0.00 C ATOM 0 H LEU A 107 -8.722 3.440 0.996 1.00 0.00 H new ATOM 0 HA LEU A 107 -7.404 5.615 -0.186 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -7.774 2.779 -1.113 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -6.667 3.933 -1.830 1.00 0.00 H new ATOM 0 HG LEU A 107 -6.506 3.263 1.104 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -4.846 1.529 0.576 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.462 1.121 -0.047 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -5.205 1.719 -1.156 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.151 3.904 0.810 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.465 4.250 -0.908 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -5.265 5.216 0.355 1.00 0.00 H new ATOM 1717 N ARG A 108 -9.731 4.393 -2.159 1.00 0.00 N ATOM 1718 CA ARG A 108 -10.643 4.743 -3.235 1.00 0.00 C ATOM 1719 C ARG A 108 -11.510 5.937 -2.829 1.00 0.00 C ATOM 1720 O ARG A 108 -11.713 6.858 -3.618 1.00 0.00 O ATOM 1721 CB ARG A 108 -11.549 3.563 -3.594 1.00 0.00 C ATOM 1722 CG ARG A 108 -10.969 2.763 -4.762 1.00 0.00 C ATOM 1723 CD ARG A 108 -12.056 1.938 -5.455 1.00 0.00 C ATOM 1724 NE ARG A 108 -11.711 1.742 -6.880 1.00 0.00 N ATOM 1725 CZ ARG A 108 -11.996 2.621 -7.850 1.00 0.00 C ATOM 1726 NH1 ARG A 108 -12.633 3.762 -7.554 1.00 0.00 N ATOM 1727 NH2 ARG A 108 -11.645 2.359 -9.117 1.00 0.00 N ATOM 0 H ARG A 108 -9.728 3.405 -1.906 1.00 0.00 H new ATOM 0 HA ARG A 108 -10.043 5.005 -4.106 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -11.667 2.913 -2.727 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -12.542 3.929 -3.856 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -10.510 3.442 -5.480 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -10.182 2.102 -4.399 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -12.161 0.972 -4.961 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -13.017 2.445 -5.371 1.00 0.00 H new ATOM 0 HE ARG A 108 -11.226 0.884 -7.140 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -12.901 3.961 -6.590 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -12.850 4.431 -8.292 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -11.161 1.490 -9.343 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -11.862 3.029 -9.855 1.00 0.00 H new ATOM 1741 N ARG A 109 -11.997 5.882 -1.598 1.00 0.00 N ATOM 1742 CA ARG A 109 -12.837 6.947 -1.077 1.00 0.00 C ATOM 1743 C ARG A 109 -12.187 8.309 -1.334 1.00 0.00 C ATOM 1744 O ARG A 109 -12.672 9.087 -2.155 1.00 0.00 O ATOM 1745 CB ARG A 109 -13.073 6.778 0.425 1.00 0.00 C ATOM 1746 CG ARG A 109 -13.914 7.930 0.980 1.00 0.00 C ATOM 1747 CD ARG A 109 -13.025 9.002 1.614 1.00 0.00 C ATOM 1748 NE ARG A 109 -13.795 9.768 2.619 1.00 0.00 N ATOM 1749 CZ ARG A 109 -14.575 10.817 2.327 1.00 0.00 C ATOM 1750 NH1 ARG A 109 -14.694 11.232 1.059 1.00 0.00 N ATOM 1751 NH2 ARG A 109 -15.237 11.453 3.304 1.00 0.00 N ATOM 0 H ARG A 109 -11.826 5.116 -0.946 1.00 0.00 H new ATOM 0 HA ARG A 109 -13.796 6.895 -1.592 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -13.578 5.831 0.613 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -12.116 6.738 0.945 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -14.507 8.371 0.179 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -14.615 7.548 1.722 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -12.159 8.536 2.085 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -12.646 9.674 0.844 1.00 0.00 H new ATOM 0 HE ARG A 109 -13.728 9.479 3.595 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -14.190 10.749 0.315 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -15.288 12.031 0.837 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -15.147 11.138 4.270 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -15.831 12.252 3.081 1.00 0.00 H new ATOM 1765 N VAL A 110 -11.101 8.555 -0.617 1.00 0.00 N ATOM 1766 CA VAL A 110 -10.380 9.809 -0.757 1.00 0.00 C ATOM 1767 C VAL A 110 -10.103 10.070 -2.239 1.00 0.00 C ATOM 1768 O VAL A 110 -10.434 11.135 -2.758 1.00 0.00 O ATOM 1769 CB VAL A 110 -9.108 9.779 0.092 1.00 0.00 C ATOM 1770 CG1 VAL A 110 -8.258 11.028 -0.149 1.00 0.00 C ATOM 1771 CG2 VAL A 110 -9.444 9.623 1.577 1.00 0.00 C ATOM 0 H VAL A 110 -10.702 7.907 0.063 1.00 0.00 H new ATOM 0 HA VAL A 110 -10.982 10.639 -0.387 1.00 0.00 H new ATOM 0 HB VAL A 110 -8.522 8.912 -0.213 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -7.360 10.981 0.467 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -7.975 11.078 -1.200 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -8.833 11.916 0.115 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -8.522 9.604 2.159 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -10.060 10.462 1.901 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -9.989 8.692 1.731 1.00 0.00 H new ATOM 1781 N ALA A 111 -9.498 9.080 -2.879 1.00 0.00 N ATOM 1782 CA ALA A 111 -9.172 9.189 -4.291 1.00 0.00 C ATOM 1783 C ALA A 111 -10.421 9.613 -5.066 1.00 0.00 C ATOM 1784 O ALA A 111 -10.323 10.308 -6.077 1.00 0.00 O ATOM 1785 CB ALA A 111 -8.601 7.860 -4.787 1.00 0.00 C ATOM 0 H ALA A 111 -9.225 8.198 -2.445 1.00 0.00 H new ATOM 0 HA ALA A 111 -8.409 9.951 -4.452 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -8.356 7.942 -5.846 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -7.699 7.619 -4.224 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -9.340 7.071 -4.645 1.00 0.00 H new