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 95 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 96 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 35 GLN : amide:sc= 0.184 X(o=0.65,f=0.3) USER MOD Set 2.2: A 50 CYS SG : rot 27:sc= 0.47 USER MOD Set 3.1: A 23 ASN : amide:sc= -1.19 K(o=-1.7,f=-2.7) USER MOD Set 3.2: A 25 GLN : amide:sc= -0.527 K(o=-1.7,f=-2.7) USER MOD Set 4.1: A 16 LYS NZ :NH3+ 166:sc= -0.201! (180deg=-0.383!) USER MOD Set 4.2: A 38 TYR OH : rot 180:sc=-0.00233 USER MOD Set 4.3: A 90 TYR OH : rot -149:sc= 0.861 USER MOD Set 5.1: A 15 LYS NZ :NH3+ 167:sc= 0.224 (180deg=0) USER MOD Set 5.2: A 26 GLN : amide:sc= -1.62 K(o=-1.4,f=-5!) USER MOD Single : A 10 LYS NZ :NH3+ -165:sc= -0.124 (180deg=-0.467) USER MOD Single : A 11 MET CE :methyl -169:sc= -0.89 (180deg=-1.04) USER MOD Single : A 17 GLN : amide:sc= -0.203 K(o=-0.2,f=-0.79) 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 37 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= -0.364 K(o=-0.36,f=-1.5) USER MOD Single : A 51 MET CE :methyl -173:sc= -0.323 (180deg=-0.469) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot 98:sc= -3.78! USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot -28:sc= -0.0709 USER MOD Single : A 93 MET CE :methyl -125:sc= -4.71! (180deg=-8.89!) USER MOD Single : A 97 GLN : amide:sc= -0.0467 X(o=-0.047,f=-0.029) USER MOD Single : A 100 MET CE :methyl 152:sc= -0.262 (180deg=-1.54!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 80 N ILE A 9 -6.489 8.396 9.722 1.00 0.00 N ATOM 81 CA ILE A 9 -7.796 7.797 9.515 1.00 0.00 C ATOM 82 C ILE A 9 -7.719 6.299 9.815 1.00 0.00 C ATOM 83 O ILE A 9 -8.231 5.839 10.835 1.00 0.00 O ATOM 84 CB ILE A 9 -8.316 8.118 8.112 1.00 0.00 C ATOM 85 CG1 ILE A 9 -8.241 9.619 7.829 1.00 0.00 C ATOM 86 CG2 ILE A 9 -9.729 7.566 7.912 1.00 0.00 C ATOM 87 CD1 ILE A 9 -8.421 9.906 6.337 1.00 0.00 C ATOM 0 HA ILE A 9 -8.524 8.223 10.205 1.00 0.00 H new ATOM 0 HB ILE A 9 -7.671 7.622 7.387 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.012 10.139 8.398 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -7.280 10.008 8.164 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.075 7.808 6.907 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.719 6.484 8.042 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.401 8.013 8.645 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -8.363 10.981 6.164 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -7.635 9.405 5.773 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -9.393 9.537 6.010 1.00 0.00 H new ATOM 99 N LYS A 10 -7.075 5.578 8.908 1.00 0.00 N ATOM 100 CA LYS A 10 -6.925 4.142 9.062 1.00 0.00 C ATOM 101 C LYS A 10 -5.439 3.780 9.011 1.00 0.00 C ATOM 102 O LYS A 10 -4.714 4.245 8.133 1.00 0.00 O ATOM 103 CB LYS A 10 -7.774 3.400 8.029 1.00 0.00 C ATOM 104 CG LYS A 10 -8.033 1.956 8.466 1.00 0.00 C ATOM 105 CD LYS A 10 -7.106 0.986 7.731 1.00 0.00 C ATOM 106 CE LYS A 10 -7.432 -0.464 8.093 1.00 0.00 C ATOM 107 NZ LYS A 10 -7.495 -0.630 9.563 1.00 0.00 N ATOM 0 H LYS A 10 -6.651 5.963 8.064 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.298 3.823 10.035 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.723 3.918 7.893 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.267 3.406 7.064 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.881 1.865 9.542 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.072 1.693 8.267 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.206 1.127 6.655 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.069 1.204 7.987 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.385 -0.751 7.648 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.673 -1.128 7.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.462 -1.642 9.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.686 -0.145 10.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.381 -0.219 9.921 1.00 0.00 H new ATOM 121 N MET A 11 -5.030 2.954 9.963 1.00 0.00 N ATOM 122 CA MET A 11 -3.644 2.525 10.037 1.00 0.00 C ATOM 123 C MET A 11 -3.546 1.001 10.121 1.00 0.00 C ATOM 124 O MET A 11 -4.392 0.354 10.736 1.00 0.00 O ATOM 125 CB MET A 11 -2.982 3.149 11.267 1.00 0.00 C ATOM 126 CG MET A 11 -3.315 4.638 11.374 1.00 0.00 C ATOM 127 SD MET A 11 -4.091 4.980 12.944 1.00 0.00 S ATOM 128 CE MET A 11 -5.803 5.024 12.441 1.00 0.00 C ATOM 0 H MET A 11 -5.634 2.571 10.690 1.00 0.00 H new ATOM 0 HA MET A 11 -3.132 2.853 9.132 1.00 0.00 H new ATOM 0 HB2 MET A 11 -3.318 2.632 12.166 1.00 0.00 H new ATOM 0 HB3 MET A 11 -1.902 3.018 11.209 1.00 0.00 H new ATOM 0 HG2 MET A 11 -2.406 5.230 11.272 1.00 0.00 H new ATOM 0 HG3 MET A 11 -3.979 4.930 10.560 1.00 0.00 H new ATOM 0 HE1 MET A 11 -6.411 5.417 13.255 1.00 0.00 H new ATOM 0 HE2 MET A 11 -5.909 5.666 11.566 1.00 0.00 H new ATOM 0 HE3 MET A 11 -6.136 4.016 12.194 1.00 0.00 H new ATOM 138 N GLY A 12 -2.505 0.472 9.494 1.00 0.00 N ATOM 139 CA GLY A 12 -2.285 -0.965 9.491 1.00 0.00 C ATOM 140 C GLY A 12 -0.997 -1.320 8.746 1.00 0.00 C ATOM 141 O GLY A 12 -0.369 -0.455 8.137 1.00 0.00 O ATOM 0 H GLY A 12 -1.805 1.012 8.985 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.229 -1.330 10.516 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -3.131 -1.465 9.020 1.00 0.00 H new ATOM 145 N TRP A 13 -0.641 -2.594 8.819 1.00 0.00 N ATOM 146 CA TRP A 13 0.561 -3.075 8.160 1.00 0.00 C ATOM 147 C TRP A 13 0.140 -3.813 6.888 1.00 0.00 C ATOM 148 O TRP A 13 -0.676 -4.732 6.940 1.00 0.00 O ATOM 149 CB TRP A 13 1.396 -3.941 9.105 1.00 0.00 C ATOM 150 CG TRP A 13 2.405 -3.154 9.943 1.00 0.00 C ATOM 151 CD1 TRP A 13 2.159 -2.185 10.836 1.00 0.00 C ATOM 152 CD2 TRP A 13 3.840 -3.308 9.930 1.00 0.00 C ATOM 153 NE1 TRP A 13 3.325 -1.706 11.397 1.00 0.00 N ATOM 154 CE2 TRP A 13 4.380 -2.411 10.828 1.00 0.00 C ATOM 155 CE3 TRP A 13 4.655 -4.177 9.183 1.00 0.00 C ATOM 156 CZ2 TRP A 13 5.755 -2.296 11.065 1.00 0.00 C ATOM 157 CZ3 TRP A 13 6.027 -4.050 9.431 1.00 0.00 C ATOM 158 CH2 TRP A 13 6.586 -3.152 10.332 1.00 0.00 C ATOM 0 H TRP A 13 -1.165 -3.308 9.325 1.00 0.00 H new ATOM 0 HA TRP A 13 1.207 -2.242 7.882 1.00 0.00 H new ATOM 0 HB2 TRP A 13 0.726 -4.480 9.774 1.00 0.00 H new ATOM 0 HB3 TRP A 13 1.931 -4.688 8.519 1.00 0.00 H new ATOM 0 HD1 TRP A 13 1.172 -1.824 11.085 1.00 0.00 H new ATOM 0 HE1 TRP A 13 3.399 -0.970 12.100 1.00 0.00 H new ATOM 0 HE3 TRP A 13 4.254 -4.886 8.474 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 6.153 -1.586 11.775 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 6.698 -4.695 8.884 1.00 0.00 H new ATOM 0 HH2 TRP A 13 7.657 -3.114 10.466 1.00 0.00 H new ATOM 169 N LEU A 14 0.715 -3.383 5.774 1.00 0.00 N ATOM 170 CA LEU A 14 0.409 -3.992 4.491 1.00 0.00 C ATOM 171 C LEU A 14 1.708 -4.460 3.831 1.00 0.00 C ATOM 172 O LEU A 14 2.745 -3.812 3.965 1.00 0.00 O ATOM 173 CB LEU A 14 -0.409 -3.032 3.624 1.00 0.00 C ATOM 174 CG LEU A 14 -1.688 -2.481 4.258 1.00 0.00 C ATOM 175 CD1 LEU A 14 -2.038 -1.108 3.682 1.00 0.00 C ATOM 176 CD2 LEU A 14 -2.843 -3.474 4.114 1.00 0.00 C ATOM 0 H LEU A 14 1.391 -2.620 5.734 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.216 -4.874 4.628 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.227 -2.191 3.348 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.677 -3.546 2.701 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.510 -2.347 5.325 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.951 -0.739 4.150 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.223 -0.412 3.879 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.190 -1.193 2.606 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.740 -3.058 4.573 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.031 -3.663 3.057 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.583 -4.409 4.609 1.00 0.00 H new ATOM 188 N LYS A 15 1.608 -5.582 3.133 1.00 0.00 N ATOM 189 CA LYS A 15 2.762 -6.145 2.452 1.00 0.00 C ATOM 190 C LYS A 15 2.932 -5.460 1.095 1.00 0.00 C ATOM 191 O LYS A 15 2.172 -5.723 0.163 1.00 0.00 O ATOM 192 CB LYS A 15 2.641 -7.667 2.362 1.00 0.00 C ATOM 193 CG LYS A 15 3.657 -8.353 3.278 1.00 0.00 C ATOM 194 CD LYS A 15 3.477 -9.872 3.256 1.00 0.00 C ATOM 195 CE LYS A 15 4.783 -10.585 3.612 1.00 0.00 C ATOM 196 NZ LYS A 15 4.529 -11.687 4.566 1.00 0.00 N ATOM 0 H LYS A 15 0.746 -6.116 3.024 1.00 0.00 H new ATOM 0 HA LYS A 15 3.671 -5.954 3.022 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.632 -7.972 2.639 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.800 -7.988 1.332 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.668 -8.098 2.961 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.540 -7.984 4.297 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.698 -10.160 3.962 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.144 -10.188 2.267 1.00 0.00 H new ATOM 0 HE2 LYS A 15 5.247 -10.979 2.708 1.00 0.00 H new ATOM 0 HE3 LYS A 15 5.485 -9.874 4.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.372 -12.294 4.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.317 -11.292 5.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.720 -12.251 4.237 1.00 0.00 H new ATOM 210 N LYS A 16 3.932 -4.594 1.025 1.00 0.00 N ATOM 211 CA LYS A 16 4.212 -3.870 -0.203 1.00 0.00 C ATOM 212 C LYS A 16 5.372 -4.546 -0.936 1.00 0.00 C ATOM 213 O LYS A 16 6.417 -4.808 -0.344 1.00 0.00 O ATOM 214 CB LYS A 16 4.451 -2.388 0.092 1.00 0.00 C ATOM 215 CG LYS A 16 4.945 -1.653 -1.156 1.00 0.00 C ATOM 216 CD LYS A 16 4.981 -0.141 -0.924 1.00 0.00 C ATOM 217 CE LYS A 16 6.159 0.498 -1.661 1.00 0.00 C ATOM 218 NZ LYS A 16 6.518 1.793 -1.039 1.00 0.00 N ATOM 0 H LYS A 16 4.559 -4.377 1.800 1.00 0.00 H new ATOM 0 HA LYS A 16 3.351 -3.904 -0.870 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.527 -1.930 0.446 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.184 -2.286 0.892 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.941 -2.008 -1.421 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.292 -1.880 -1.998 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.048 0.306 -1.267 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.060 0.065 0.143 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.017 -0.173 -1.638 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.901 0.650 -2.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.449 2.099 -1.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.804 2.507 -1.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.553 1.684 -0.005 1.00 0.00 H new ATOM 232 N GLN A 17 5.148 -4.810 -2.215 1.00 0.00 N ATOM 233 CA GLN A 17 6.161 -5.450 -3.036 1.00 0.00 C ATOM 234 C GLN A 17 7.475 -4.670 -2.961 1.00 0.00 C ATOM 235 O GLN A 17 7.509 -3.475 -3.249 1.00 0.00 O ATOM 236 CB GLN A 17 5.687 -5.589 -4.484 1.00 0.00 C ATOM 237 CG GLN A 17 6.553 -6.590 -5.251 1.00 0.00 C ATOM 238 CD GLN A 17 5.875 -7.016 -6.555 1.00 0.00 C ATOM 239 OE1 GLN A 17 5.412 -6.203 -7.338 1.00 0.00 O ATOM 240 NE2 GLN A 17 5.843 -8.332 -6.743 1.00 0.00 N ATOM 0 H GLN A 17 4.279 -4.592 -2.703 1.00 0.00 H new ATOM 0 HA GLN A 17 6.334 -6.454 -2.648 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.647 -5.915 -4.500 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.724 -4.618 -4.977 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.523 -6.144 -5.470 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.738 -7.467 -4.630 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.250 -8.957 -6.047 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.412 -8.717 -7.584 1.00 0.00 H new ATOM 341 N ASN A 23 9.293 -9.817 -4.099 1.00 0.00 N ATOM 342 CA ASN A 23 8.988 -10.266 -2.752 1.00 0.00 C ATOM 343 C ASN A 23 7.968 -9.316 -2.121 1.00 0.00 C ATOM 344 O ASN A 23 7.667 -8.262 -2.679 1.00 0.00 O ATOM 345 CB ASN A 23 10.241 -10.266 -1.874 1.00 0.00 C ATOM 346 CG ASN A 23 10.021 -11.090 -0.604 1.00 0.00 C ATOM 347 OD1 ASN A 23 9.324 -12.092 -0.596 1.00 0.00 O ATOM 348 ND2 ASN A 23 10.652 -10.615 0.466 1.00 0.00 N ATOM 0 HA ASN A 23 8.593 -11.280 -2.816 1.00 0.00 H new ATOM 0 HB2 ASN A 23 11.082 -10.673 -2.435 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.502 -9.242 -1.607 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.568 -11.095 1.362 1.00 0.00 H new ATOM 0 HD22 ASN A 23 11.220 -9.771 0.390 1.00 0.00 H new ATOM 355 N TRP A 24 7.464 -9.723 -0.965 1.00 0.00 N ATOM 356 CA TRP A 24 6.485 -8.921 -0.251 1.00 0.00 C ATOM 357 C TRP A 24 7.120 -8.454 1.060 1.00 0.00 C ATOM 358 O TRP A 24 7.567 -9.272 1.863 1.00 0.00 O ATOM 359 CB TRP A 24 5.186 -9.701 -0.042 1.00 0.00 C ATOM 360 CG TRP A 24 4.477 -10.091 -1.341 1.00 0.00 C ATOM 361 CD1 TRP A 24 4.655 -11.197 -2.077 1.00 0.00 C ATOM 362 CD2 TRP A 24 3.465 -9.328 -2.031 1.00 0.00 C ATOM 363 NE1 TRP A 24 3.834 -11.202 -3.187 1.00 0.00 N ATOM 364 CE2 TRP A 24 3.088 -10.029 -3.158 1.00 0.00 C ATOM 365 CE3 TRP A 24 2.888 -8.086 -1.713 1.00 0.00 C ATOM 366 CZ2 TRP A 24 2.119 -9.570 -4.058 1.00 0.00 C ATOM 367 CZ3 TRP A 24 1.921 -7.641 -2.623 1.00 0.00 C ATOM 368 CH2 TRP A 24 1.530 -8.335 -3.762 1.00 0.00 C ATOM 0 H TRP A 24 7.715 -10.598 -0.505 1.00 0.00 H new ATOM 0 HA TRP A 24 6.207 -8.043 -0.834 1.00 0.00 H new ATOM 0 HB2 TRP A 24 5.405 -10.605 0.526 1.00 0.00 H new ATOM 0 HB3 TRP A 24 4.507 -9.101 0.564 1.00 0.00 H new ATOM 0 HD1 TRP A 24 5.352 -11.985 -1.833 1.00 0.00 H new ATOM 0 HE1 TRP A 24 3.784 -11.932 -3.898 1.00 0.00 H new ATOM 0 HE3 TRP A 24 3.168 -7.520 -0.837 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 1.841 -10.138 -4.933 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 1.446 -6.692 -2.426 1.00 0.00 H new ATOM 0 HH2 TRP A 24 0.775 -7.923 -4.416 1.00 0.00 H new ATOM 379 N GLN A 25 7.140 -7.141 1.236 1.00 0.00 N ATOM 380 CA GLN A 25 7.713 -6.556 2.436 1.00 0.00 C ATOM 381 C GLN A 25 6.614 -5.932 3.300 1.00 0.00 C ATOM 382 O GLN A 25 5.925 -5.012 2.864 1.00 0.00 O ATOM 383 CB GLN A 25 8.786 -5.523 2.084 1.00 0.00 C ATOM 384 CG GLN A 25 10.094 -5.819 2.821 1.00 0.00 C ATOM 385 CD GLN A 25 10.546 -7.260 2.579 1.00 0.00 C ATOM 386 OE1 GLN A 25 10.563 -7.754 1.463 1.00 0.00 O ATOM 387 NE2 GLN A 25 10.910 -7.906 3.683 1.00 0.00 N ATOM 0 H GLN A 25 6.769 -6.466 0.568 1.00 0.00 H new ATOM 0 HA GLN A 25 8.193 -7.349 3.010 1.00 0.00 H new ATOM 0 HB2 GLN A 25 8.961 -5.528 1.008 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.435 -4.525 2.345 1.00 0.00 H new ATOM 0 HG2 GLN A 25 10.869 -5.130 2.485 1.00 0.00 H new ATOM 0 HG3 GLN A 25 9.959 -5.651 3.890 1.00 0.00 H new ATOM 0 HE21 GLN A 25 10.872 -7.434 4.586 1.00 0.00 H new ATOM 0 HE22 GLN A 25 11.227 -8.874 3.626 1.00 0.00 H new ATOM 396 N GLN A 26 6.486 -6.459 4.509 1.00 0.00 N ATOM 397 CA GLN A 26 5.483 -5.966 5.437 1.00 0.00 C ATOM 398 C GLN A 26 5.866 -4.573 5.942 1.00 0.00 C ATOM 399 O GLN A 26 6.863 -4.416 6.645 1.00 0.00 O ATOM 400 CB GLN A 26 5.289 -6.937 6.603 1.00 0.00 C ATOM 401 CG GLN A 26 3.810 -7.062 6.973 1.00 0.00 C ATOM 402 CD GLN A 26 3.300 -8.483 6.721 1.00 0.00 C ATOM 403 OE1 GLN A 26 4.059 -9.413 6.502 1.00 0.00 O ATOM 404 NE2 GLN A 26 1.976 -8.598 6.766 1.00 0.00 N ATOM 0 H GLN A 26 7.060 -7.222 4.867 1.00 0.00 H new ATOM 0 HA GLN A 26 4.533 -5.891 4.908 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.684 -7.917 6.334 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.856 -6.591 7.467 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.671 -6.803 8.022 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.224 -6.352 6.389 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.399 -7.778 6.954 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.537 -9.506 6.612 1.00 0.00 H new ATOM 413 N ARG A 27 5.053 -3.597 5.564 1.00 0.00 N ATOM 414 CA ARG A 27 5.295 -2.223 5.969 1.00 0.00 C ATOM 415 C ARG A 27 4.081 -1.669 6.718 1.00 0.00 C ATOM 416 O ARG A 27 3.001 -2.257 6.677 1.00 0.00 O ATOM 417 CB ARG A 27 5.588 -1.335 4.758 1.00 0.00 C ATOM 418 CG ARG A 27 6.670 -1.955 3.872 1.00 0.00 C ATOM 419 CD ARG A 27 7.807 -0.963 3.619 1.00 0.00 C ATOM 420 NE ARG A 27 8.555 -1.350 2.402 1.00 0.00 N ATOM 421 CZ ARG A 27 9.563 -2.232 2.389 1.00 0.00 C ATOM 422 NH1 ARG A 27 9.951 -2.823 3.527 1.00 0.00 N ATOM 423 NH2 ARG A 27 10.185 -2.522 1.238 1.00 0.00 N ATOM 0 H ARG A 27 4.226 -3.731 4.982 1.00 0.00 H new ATOM 0 HA ARG A 27 6.165 -2.219 6.626 1.00 0.00 H new ATOM 0 HB2 ARG A 27 4.676 -1.192 4.178 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.909 -0.349 5.095 1.00 0.00 H new ATOM 0 HG2 ARG A 27 7.065 -2.852 4.348 1.00 0.00 H new ATOM 0 HG3 ARG A 27 6.234 -2.264 2.922 1.00 0.00 H new ATOM 0 HD2 ARG A 27 7.404 0.043 3.503 1.00 0.00 H new ATOM 0 HD3 ARG A 27 8.479 -0.941 4.477 1.00 0.00 H new ATOM 0 HE ARG A 27 8.286 -0.918 1.518 1.00 0.00 H new ATOM 0 HH11 ARG A 27 9.479 -2.601 4.404 1.00 0.00 H new ATOM 0 HH12 ARG A 27 10.719 -3.495 3.517 1.00 0.00 H new ATOM 0 HH21 ARG A 27 9.891 -2.071 0.372 1.00 0.00 H new ATOM 0 HH22 ARG A 27 10.953 -3.194 1.228 1.00 0.00 H new ATOM 437 N TYR A 28 4.298 -0.544 7.383 1.00 0.00 N ATOM 438 CA TYR A 28 3.235 0.095 8.139 1.00 0.00 C ATOM 439 C TYR A 28 2.636 1.267 7.359 1.00 0.00 C ATOM 440 O TYR A 28 3.241 2.334 7.273 1.00 0.00 O ATOM 441 CB TYR A 28 3.888 0.629 9.416 1.00 0.00 C ATOM 442 CG TYR A 28 2.904 1.268 10.398 1.00 0.00 C ATOM 443 CD1 TYR A 28 1.578 0.886 10.393 1.00 0.00 C ATOM 444 CD2 TYR A 28 3.342 2.228 11.287 1.00 0.00 C ATOM 445 CE1 TYR A 28 0.652 1.488 11.317 1.00 0.00 C ATOM 446 CE2 TYR A 28 2.416 2.830 12.211 1.00 0.00 C ATOM 447 CZ TYR A 28 1.117 2.431 12.180 1.00 0.00 C ATOM 448 OH TYR A 28 0.242 2.999 13.053 1.00 0.00 O ATOM 0 H TYR A 28 5.195 -0.059 7.414 1.00 0.00 H new ATOM 0 HA TYR A 28 2.431 -0.612 8.344 1.00 0.00 H new ATOM 0 HB2 TYR A 28 4.405 -0.189 9.917 1.00 0.00 H new ATOM 0 HB3 TYR A 28 4.644 1.365 9.144 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.235 0.136 9.696 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.379 2.528 11.290 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -0.388 1.197 11.325 1.00 0.00 H new ATOM 0 HE2 TYR A 28 2.746 3.582 12.913 1.00 0.00 H new ATOM 0 HH TYR A 28 0.713 3.654 13.609 1.00 0.00 H new ATOM 458 N PHE A 29 1.453 1.028 6.811 1.00 0.00 N ATOM 459 CA PHE A 29 0.765 2.051 6.041 1.00 0.00 C ATOM 460 C PHE A 29 -0.196 2.849 6.925 1.00 0.00 C ATOM 461 O PHE A 29 -0.942 2.272 7.715 1.00 0.00 O ATOM 462 CB PHE A 29 -0.038 1.329 4.957 1.00 0.00 C ATOM 463 CG PHE A 29 0.786 0.942 3.727 1.00 0.00 C ATOM 464 CD1 PHE A 29 1.648 -0.108 3.788 1.00 0.00 C ATOM 465 CD2 PHE A 29 0.655 1.648 2.571 1.00 0.00 C ATOM 466 CE1 PHE A 29 2.412 -0.467 2.647 1.00 0.00 C ATOM 467 CE2 PHE A 29 1.419 1.289 1.430 1.00 0.00 C ATOM 468 CZ PHE A 29 2.282 0.239 1.491 1.00 0.00 C ATOM 0 H PHE A 29 0.954 0.142 6.885 1.00 0.00 H new ATOM 0 HA PHE A 29 1.488 2.747 5.616 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.479 0.428 5.385 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.862 1.969 4.643 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.751 -0.669 4.705 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.030 2.481 2.522 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.097 -1.301 2.696 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.315 1.850 0.513 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.863 -0.034 0.623 1.00 0.00 H new ATOM 478 N VAL A 30 -0.147 4.162 6.761 1.00 0.00 N ATOM 479 CA VAL A 30 -1.004 5.046 7.534 1.00 0.00 C ATOM 480 C VAL A 30 -1.700 6.028 6.590 1.00 0.00 C ATOM 481 O VAL A 30 -1.174 6.351 5.526 1.00 0.00 O ATOM 482 CB VAL A 30 -0.189 5.741 8.626 1.00 0.00 C ATOM 483 CG1 VAL A 30 -0.861 7.044 9.065 1.00 0.00 C ATOM 484 CG2 VAL A 30 0.036 4.810 9.819 1.00 0.00 C ATOM 0 H VAL A 30 0.473 4.636 6.104 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.783 4.476 8.041 1.00 0.00 H new ATOM 0 HB VAL A 30 0.786 5.991 8.209 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.262 7.519 9.842 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.945 7.716 8.211 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.855 6.827 9.455 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.618 5.329 10.581 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.927 4.514 10.236 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.577 3.923 9.491 1.00 0.00 H new ATOM 494 N LEU A 31 -2.873 6.476 7.013 1.00 0.00 N ATOM 495 CA LEU A 31 -3.646 7.415 6.219 1.00 0.00 C ATOM 496 C LEU A 31 -3.989 8.637 7.073 1.00 0.00 C ATOM 497 O LEU A 31 -4.552 8.502 8.159 1.00 0.00 O ATOM 498 CB LEU A 31 -4.870 6.724 5.614 1.00 0.00 C ATOM 499 CG LEU A 31 -5.058 6.893 4.105 1.00 0.00 C ATOM 500 CD1 LEU A 31 -5.278 5.540 3.426 1.00 0.00 C ATOM 501 CD2 LEU A 31 -6.189 7.878 3.800 1.00 0.00 C ATOM 0 H LEU A 31 -3.307 6.206 7.896 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.059 7.772 5.373 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.807 5.659 5.835 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.761 7.102 6.116 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.143 7.316 3.692 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.409 5.688 2.354 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.413 4.900 3.601 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.169 5.067 3.838 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.302 7.980 2.721 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.120 7.507 4.229 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.952 8.850 4.233 1.00 0.00 H new ATOM 513 N ARG A 32 -3.637 9.802 6.551 1.00 0.00 N ATOM 514 CA ARG A 32 -3.900 11.047 7.252 1.00 0.00 C ATOM 515 C ARG A 32 -4.829 11.937 6.423 1.00 0.00 C ATOM 516 O ARG A 32 -6.028 12.007 6.690 1.00 0.00 O ATOM 517 CB ARG A 32 -2.601 11.804 7.537 1.00 0.00 C ATOM 518 CG ARG A 32 -2.410 12.017 9.040 1.00 0.00 C ATOM 519 CD ARG A 32 -1.055 11.475 9.502 1.00 0.00 C ATOM 520 NE ARG A 32 -0.221 12.579 10.028 1.00 0.00 N ATOM 521 CZ ARG A 32 1.109 12.511 10.174 1.00 0.00 C ATOM 522 NH1 ARG A 32 1.764 11.393 9.835 1.00 0.00 N ATOM 523 NH2 ARG A 32 1.784 13.562 10.660 1.00 0.00 N ATOM 0 H ARG A 32 -3.171 9.910 5.650 1.00 0.00 H new ATOM 0 HA ARG A 32 -4.378 10.799 8.200 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.755 11.247 7.135 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.618 12.768 7.029 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.479 13.080 9.272 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.211 11.519 9.586 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.200 10.719 10.273 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.546 10.988 8.670 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.688 13.445 10.296 1.00 0.00 H new ATOM 0 HH11 ARG A 32 1.250 10.593 9.466 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.777 11.342 9.946 1.00 0.00 H new ATOM 0 HH21 ARG A 32 1.285 14.413 10.919 1.00 0.00 H new ATOM 0 HH22 ARG A 32 2.797 13.511 10.771 1.00 0.00 H new ATOM 537 N ALA A 33 -4.241 12.594 5.435 1.00 0.00 N ATOM 538 CA ALA A 33 -5.001 13.476 4.565 1.00 0.00 C ATOM 539 C ALA A 33 -5.155 12.821 3.191 1.00 0.00 C ATOM 540 O ALA A 33 -5.188 11.597 3.083 1.00 0.00 O ATOM 541 CB ALA A 33 -4.308 14.838 4.488 1.00 0.00 C ATOM 0 H ALA A 33 -3.246 12.534 5.217 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.001 13.642 4.965 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.878 15.500 3.836 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -4.250 15.274 5.485 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -3.302 14.712 4.088 1.00 0.00 H new ATOM 547 N GLN A 34 -5.246 13.667 2.175 1.00 0.00 N ATOM 548 CA GLN A 34 -5.397 13.186 0.812 1.00 0.00 C ATOM 549 C GLN A 34 -4.068 12.630 0.296 1.00 0.00 C ATOM 550 O GLN A 34 -3.567 13.069 -0.737 1.00 0.00 O ATOM 551 CB GLN A 34 -5.921 14.293 -0.105 1.00 0.00 C ATOM 552 CG GLN A 34 -7.230 14.876 0.432 1.00 0.00 C ATOM 553 CD GLN A 34 -7.535 16.227 -0.219 1.00 0.00 C ATOM 554 OE1 GLN A 34 -8.316 16.334 -1.150 1.00 0.00 O ATOM 555 NE2 GLN A 34 -6.879 17.249 0.323 1.00 0.00 N ATOM 0 H GLN A 34 -5.218 14.682 2.268 1.00 0.00 H new ATOM 0 HA GLN A 34 -6.131 12.380 0.810 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.175 15.083 -0.190 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.080 13.895 -1.107 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -8.048 14.182 0.239 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -7.163 14.996 1.513 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -6.239 17.089 1.101 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -7.016 18.193 -0.039 1.00 0.00 H new ATOM 564 N GLN A 35 -3.536 11.671 1.040 1.00 0.00 N ATOM 565 CA GLN A 35 -2.275 11.050 0.671 1.00 0.00 C ATOM 566 C GLN A 35 -2.072 9.754 1.458 1.00 0.00 C ATOM 567 O GLN A 35 -2.479 9.655 2.614 1.00 0.00 O ATOM 568 CB GLN A 35 -1.106 12.012 0.887 1.00 0.00 C ATOM 569 CG GLN A 35 -0.777 12.773 -0.400 1.00 0.00 C ATOM 570 CD GLN A 35 0.688 13.214 -0.416 1.00 0.00 C ATOM 571 OE1 GLN A 35 1.191 13.822 0.514 1.00 0.00 O ATOM 572 NE2 GLN A 35 1.342 12.875 -1.524 1.00 0.00 N ATOM 0 H GLN A 35 -3.955 11.309 1.896 1.00 0.00 H new ATOM 0 HA GLN A 35 -2.309 10.806 -0.391 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -1.354 12.719 1.679 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -0.229 11.456 1.219 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -0.979 12.139 -1.263 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -1.424 13.646 -0.486 1.00 0.00 H new ATOM 0 HE21 GLN A 35 0.860 12.366 -2.265 1.00 0.00 H new ATOM 0 HE22 GLN A 35 2.325 13.124 -1.632 1.00 0.00 H new ATOM 581 N LEU A 36 -1.442 8.792 0.799 1.00 0.00 N ATOM 582 CA LEU A 36 -1.179 7.506 1.423 1.00 0.00 C ATOM 583 C LEU A 36 0.269 7.471 1.918 1.00 0.00 C ATOM 584 O LEU A 36 1.200 7.666 1.139 1.00 0.00 O ATOM 585 CB LEU A 36 -1.529 6.365 0.466 1.00 0.00 C ATOM 586 CG LEU A 36 -1.457 4.953 1.052 1.00 0.00 C ATOM 587 CD1 LEU A 36 -0.004 4.513 1.245 1.00 0.00 C ATOM 588 CD2 LEU A 36 -2.263 4.855 2.349 1.00 0.00 C ATOM 0 H LEU A 36 -1.106 8.877 -0.160 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.818 7.368 2.295 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.538 6.530 0.089 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.857 6.416 -0.391 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.910 4.264 0.339 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.019 3.506 1.663 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.509 4.519 0.283 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.497 5.200 1.927 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.195 3.841 2.744 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.862 5.557 3.080 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.307 5.097 2.148 1.00 0.00 H new ATOM 600 N TYR A 37 0.412 7.220 3.212 1.00 0.00 N ATOM 601 CA TYR A 37 1.730 7.157 3.820 1.00 0.00 C ATOM 602 C TYR A 37 2.073 5.725 4.237 1.00 0.00 C ATOM 603 O TYR A 37 1.180 4.918 4.490 1.00 0.00 O ATOM 604 CB TYR A 37 1.660 8.037 5.069 1.00 0.00 C ATOM 605 CG TYR A 37 1.091 9.434 4.815 1.00 0.00 C ATOM 606 CD1 TYR A 37 1.888 10.412 4.256 1.00 0.00 C ATOM 607 CD2 TYR A 37 -0.218 9.716 5.146 1.00 0.00 C ATOM 608 CE1 TYR A 37 1.353 11.728 4.017 1.00 0.00 C ATOM 609 CE2 TYR A 37 -0.754 11.031 4.906 1.00 0.00 C ATOM 610 CZ TYR A 37 0.058 11.972 4.354 1.00 0.00 C ATOM 611 OH TYR A 37 -0.448 13.214 4.128 1.00 0.00 O ATOM 0 H TYR A 37 -0.363 7.058 3.855 1.00 0.00 H new ATOM 0 HA TYR A 37 2.494 7.489 3.117 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.047 7.537 5.819 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.661 8.135 5.489 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.913 10.191 3.998 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.841 8.951 5.585 1.00 0.00 H new ATOM 0 HE1 TYR A 37 1.966 12.503 3.580 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.778 11.265 5.159 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.384 13.243 4.416 1.00 0.00 H new ATOM 621 N TYR A 38 3.368 5.454 4.297 1.00 0.00 N ATOM 622 CA TYR A 38 3.840 4.134 4.679 1.00 0.00 C ATOM 623 C TYR A 38 5.292 4.188 5.158 1.00 0.00 C ATOM 624 O TYR A 38 6.159 4.716 4.463 1.00 0.00 O ATOM 625 CB TYR A 38 3.764 3.276 3.414 1.00 0.00 C ATOM 626 CG TYR A 38 5.059 3.255 2.599 1.00 0.00 C ATOM 627 CD1 TYR A 38 6.039 2.326 2.884 1.00 0.00 C ATOM 628 CD2 TYR A 38 5.246 4.164 1.577 1.00 0.00 C ATOM 629 CE1 TYR A 38 7.257 2.306 2.117 1.00 0.00 C ATOM 630 CE2 TYR A 38 6.464 4.144 0.810 1.00 0.00 C ATOM 631 CZ TYR A 38 7.409 3.216 1.117 1.00 0.00 C ATOM 632 OH TYR A 38 8.560 3.196 0.392 1.00 0.00 O ATOM 0 H TYR A 38 4.106 6.126 4.087 1.00 0.00 H new ATOM 0 HA TYR A 38 3.237 3.732 5.493 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.507 2.255 3.695 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.956 3.647 2.784 1.00 0.00 H new ATOM 0 HD1 TYR A 38 5.892 1.614 3.683 1.00 0.00 H new ATOM 0 HD2 TYR A 38 4.479 4.890 1.353 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.032 1.585 2.330 1.00 0.00 H new ATOM 0 HE2 TYR A 38 6.624 4.850 0.009 1.00 0.00 H new ATOM 0 HH TYR A 38 8.530 3.901 -0.289 1.00 0.00 H new ATOM 642 N TYR A 39 5.512 3.635 6.342 1.00 0.00 N ATOM 643 CA TYR A 39 6.845 3.614 6.921 1.00 0.00 C ATOM 644 C TYR A 39 7.318 2.178 7.155 1.00 0.00 C ATOM 645 O TYR A 39 6.560 1.342 7.645 1.00 0.00 O ATOM 646 CB TYR A 39 6.728 4.326 8.271 1.00 0.00 C ATOM 647 CG TYR A 39 5.932 5.631 8.219 1.00 0.00 C ATOM 648 CD1 TYR A 39 4.557 5.597 8.117 1.00 0.00 C ATOM 649 CD2 TYR A 39 6.590 6.843 8.274 1.00 0.00 C ATOM 650 CE1 TYR A 39 3.807 6.826 8.069 1.00 0.00 C ATOM 651 CE2 TYR A 39 5.841 8.072 8.226 1.00 0.00 C ATOM 652 CZ TYR A 39 4.487 8.003 8.125 1.00 0.00 C ATOM 653 OH TYR A 39 3.779 9.163 8.080 1.00 0.00 O ATOM 0 H TYR A 39 4.790 3.198 6.916 1.00 0.00 H new ATOM 0 HA TYR A 39 7.561 4.095 6.255 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.255 3.652 8.986 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.729 4.538 8.647 1.00 0.00 H new ATOM 0 HD1 TYR A 39 4.042 4.649 8.073 1.00 0.00 H new ATOM 0 HD2 TYR A 39 7.667 6.870 8.353 1.00 0.00 H new ATOM 0 HE1 TYR A 39 2.730 6.813 7.990 1.00 0.00 H new ATOM 0 HE2 TYR A 39 6.344 9.027 8.269 1.00 0.00 H new ATOM 0 HH TYR A 39 4.394 9.924 8.130 1.00 0.00 H new ATOM 789 N GLN A 48 8.411 7.066 4.216 1.00 0.00 N ATOM 790 CA GLN A 48 9.290 6.561 3.175 1.00 0.00 C ATOM 791 C GLN A 48 8.782 6.989 1.797 1.00 0.00 C ATOM 792 O GLN A 48 9.557 7.076 0.846 1.00 0.00 O ATOM 793 CB GLN A 48 9.425 5.040 3.262 1.00 0.00 C ATOM 794 CG GLN A 48 10.251 4.631 4.484 1.00 0.00 C ATOM 795 CD GLN A 48 11.698 5.110 4.353 1.00 0.00 C ATOM 796 OE1 GLN A 48 12.200 5.360 3.270 1.00 0.00 O ATOM 797 NE2 GLN A 48 12.338 5.223 5.513 1.00 0.00 N ATOM 0 HA GLN A 48 10.281 6.990 3.324 1.00 0.00 H new ATOM 0 HB2 GLN A 48 8.436 4.586 3.319 1.00 0.00 H new ATOM 0 HB3 GLN A 48 9.898 4.661 2.356 1.00 0.00 H new ATOM 0 HG2 GLN A 48 9.805 5.051 5.386 1.00 0.00 H new ATOM 0 HG3 GLN A 48 10.232 3.547 4.594 1.00 0.00 H new ATOM 0 HE21 GLN A 48 11.858 4.997 6.384 1.00 0.00 H new ATOM 0 HE22 GLN A 48 13.309 5.535 5.532 1.00 0.00 H new ATOM 806 N GLY A 49 7.484 7.243 1.733 1.00 0.00 N ATOM 807 CA GLY A 49 6.863 7.659 0.487 1.00 0.00 C ATOM 808 C GLY A 49 5.428 8.135 0.721 1.00 0.00 C ATOM 809 O GLY A 49 4.847 7.874 1.773 1.00 0.00 O ATOM 0 H GLY A 49 6.845 7.169 2.524 1.00 0.00 H new ATOM 0 HA2 GLY A 49 7.447 8.461 0.036 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.864 6.828 -0.219 1.00 0.00 H new ATOM 813 N CYS A 50 4.897 8.826 -0.277 1.00 0.00 N ATOM 814 CA CYS A 50 3.542 9.342 -0.193 1.00 0.00 C ATOM 815 C CYS A 50 2.887 9.200 -1.569 1.00 0.00 C ATOM 816 O CYS A 50 3.486 9.550 -2.584 1.00 0.00 O ATOM 817 CB CYS A 50 3.516 10.788 0.304 1.00 0.00 C ATOM 818 SG CYS A 50 4.437 11.865 -0.854 1.00 0.00 S ATOM 0 H CYS A 50 5.381 9.041 -1.149 1.00 0.00 H new ATOM 0 HA CYS A 50 2.977 8.766 0.539 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.486 11.132 0.392 1.00 0.00 H new ATOM 0 HB3 CYS A 50 3.958 10.847 1.298 1.00 0.00 H new ATOM 0 HG CYS A 50 4.418 11.340 -2.043 1.00 0.00 H new ATOM 824 N MET A 51 1.667 8.685 -1.558 1.00 0.00 N ATOM 825 CA MET A 51 0.925 8.492 -2.792 1.00 0.00 C ATOM 826 C MET A 51 -0.318 9.384 -2.830 1.00 0.00 C ATOM 827 O MET A 51 -1.169 9.308 -1.945 1.00 0.00 O ATOM 828 CB MET A 51 0.504 7.026 -2.911 1.00 0.00 C ATOM 829 CG MET A 51 0.543 6.561 -4.369 1.00 0.00 C ATOM 830 SD MET A 51 2.196 6.047 -4.802 1.00 0.00 S ATOM 831 CE MET A 51 1.824 4.823 -6.047 1.00 0.00 C ATOM 0 H MET A 51 1.173 8.395 -0.714 1.00 0.00 H new ATOM 0 HA MET A 51 1.570 8.763 -3.628 1.00 0.00 H new ATOM 0 HB2 MET A 51 1.166 6.404 -2.309 1.00 0.00 H new ATOM 0 HB3 MET A 51 -0.502 6.899 -2.512 1.00 0.00 H new ATOM 0 HG2 MET A 51 -0.153 5.735 -4.515 1.00 0.00 H new ATOM 0 HG3 MET A 51 0.221 7.369 -5.026 1.00 0.00 H new ATOM 0 HE1 MET A 51 2.741 4.310 -6.338 1.00 0.00 H new ATOM 0 HE2 MET A 51 1.115 4.099 -5.645 1.00 0.00 H new ATOM 0 HE3 MET A 51 1.389 5.311 -6.919 1.00 0.00 H new ATOM 841 N TYR A 52 -0.383 10.210 -3.864 1.00 0.00 N ATOM 842 CA TYR A 52 -1.507 11.116 -4.029 1.00 0.00 C ATOM 843 C TYR A 52 -2.794 10.344 -4.324 1.00 0.00 C ATOM 844 O TYR A 52 -2.965 9.809 -5.419 1.00 0.00 O ATOM 845 CB TYR A 52 -1.166 11.995 -5.233 1.00 0.00 C ATOM 846 CG TYR A 52 -1.799 13.388 -5.186 1.00 0.00 C ATOM 847 CD1 TYR A 52 -1.833 14.090 -3.998 1.00 0.00 C ATOM 848 CD2 TYR A 52 -2.336 13.941 -6.330 1.00 0.00 C ATOM 849 CE1 TYR A 52 -2.428 15.400 -3.953 1.00 0.00 C ATOM 850 CE2 TYR A 52 -2.932 15.251 -6.285 1.00 0.00 C ATOM 851 CZ TYR A 52 -2.948 15.916 -5.099 1.00 0.00 C ATOM 852 OH TYR A 52 -3.511 17.154 -5.057 1.00 0.00 O ATOM 0 H TYR A 52 0.325 10.271 -4.596 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.670 11.696 -3.121 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.083 12.101 -5.297 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.491 11.490 -6.142 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -1.413 13.656 -3.102 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.309 13.391 -7.259 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -2.461 15.960 -3.030 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -3.357 15.695 -7.173 1.00 0.00 H new ATOM 0 HH TYR A 52 -3.840 17.394 -5.948 1.00 0.00 H new ATOM 862 N LEU A 53 -3.668 10.310 -3.329 1.00 0.00 N ATOM 863 CA LEU A 53 -4.935 9.612 -3.468 1.00 0.00 C ATOM 864 C LEU A 53 -5.751 10.264 -4.586 1.00 0.00 C ATOM 865 O LEU A 53 -6.352 9.571 -5.405 1.00 0.00 O ATOM 866 CB LEU A 53 -5.666 9.556 -2.125 1.00 0.00 C ATOM 867 CG LEU A 53 -4.941 8.821 -0.996 1.00 0.00 C ATOM 868 CD1 LEU A 53 -5.873 8.589 0.194 1.00 0.00 C ATOM 869 CD2 LEU A 53 -4.320 7.517 -1.501 1.00 0.00 C ATOM 0 H LEU A 53 -3.524 10.755 -2.423 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.769 8.574 -3.757 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.864 10.577 -1.799 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.633 9.078 -2.280 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.124 9.452 -0.646 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.333 8.065 0.982 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.226 9.548 0.572 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.725 7.988 -0.123 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.811 7.014 -0.679 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.104 6.869 -1.893 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.603 7.738 -2.291 1.00 0.00 H new ATOM 881 N PRO A 54 -5.745 11.624 -4.584 1.00 0.00 N ATOM 882 CA PRO A 54 -6.477 12.377 -5.588 1.00 0.00 C ATOM 883 C PRO A 54 -5.753 12.341 -6.936 1.00 0.00 C ATOM 884 O PRO A 54 -5.458 13.386 -7.514 1.00 0.00 O ATOM 885 CB PRO A 54 -6.598 13.780 -5.017 1.00 0.00 C ATOM 886 CG PRO A 54 -5.536 13.883 -3.935 1.00 0.00 C ATOM 887 CD PRO A 54 -5.043 12.478 -3.630 1.00 0.00 C ATOM 0 HA PRO A 54 -7.462 11.958 -5.792 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -6.441 14.531 -5.791 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -7.593 13.950 -4.605 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.711 14.513 -4.268 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.948 14.346 -3.038 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.962 12.402 -3.751 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.269 12.193 -2.602 1.00 0.00 H new ATOM 895 N GLY A 55 -5.489 11.128 -7.398 1.00 0.00 N ATOM 896 CA GLY A 55 -4.806 10.942 -8.667 1.00 0.00 C ATOM 897 C GLY A 55 -4.075 9.598 -8.704 1.00 0.00 C ATOM 898 O GLY A 55 -2.933 9.521 -9.155 1.00 0.00 O ATOM 0 H GLY A 55 -5.736 10.264 -6.916 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.527 10.990 -9.483 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -4.094 11.752 -8.823 1.00 0.00 H new ATOM 902 N CYS A 56 -4.764 8.573 -8.225 1.00 0.00 N ATOM 903 CA CYS A 56 -4.194 7.236 -8.198 1.00 0.00 C ATOM 904 C CYS A 56 -5.232 6.260 -8.756 1.00 0.00 C ATOM 905 O CYS A 56 -6.377 6.638 -8.999 1.00 0.00 O ATOM 906 CB CYS A 56 -3.740 6.843 -6.791 1.00 0.00 C ATOM 907 SG CYS A 56 -1.912 6.857 -6.697 1.00 0.00 S ATOM 0 H CYS A 56 -5.711 8.641 -7.853 1.00 0.00 H new ATOM 0 HA CYS A 56 -3.299 7.207 -8.819 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -4.155 7.536 -6.059 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -4.118 5.851 -6.542 1.00 0.00 H new ATOM 0 HG CYS A 56 -1.513 7.979 -6.175 1.00 0.00 H new ATOM 913 N THR A 57 -4.795 5.024 -8.942 1.00 0.00 N ATOM 914 CA THR A 57 -5.672 3.991 -9.467 1.00 0.00 C ATOM 915 C THR A 57 -5.526 2.703 -8.653 1.00 0.00 C ATOM 916 O THR A 57 -4.492 2.040 -8.714 1.00 0.00 O ATOM 917 CB THR A 57 -5.354 3.810 -10.952 1.00 0.00 C ATOM 918 OG1 THR A 57 -6.217 4.736 -11.607 1.00 0.00 O ATOM 919 CG2 THR A 57 -5.799 2.446 -11.484 1.00 0.00 C ATOM 0 H THR A 57 -3.845 4.714 -8.739 1.00 0.00 H new ATOM 0 HA THR A 57 -6.720 4.279 -9.377 1.00 0.00 H new ATOM 0 HB THR A 57 -4.282 3.930 -11.111 1.00 0.00 H new ATOM 0 HG1 THR A 57 -6.075 4.686 -12.575 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.550 2.369 -12.542 1.00 0.00 H new ATOM 0 HG22 THR A 57 -5.288 1.656 -10.933 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.876 2.339 -11.356 1.00 0.00 H new ATOM 927 N ILE A 58 -6.577 2.388 -7.910 1.00 0.00 N ATOM 928 CA ILE A 58 -6.579 1.192 -7.085 1.00 0.00 C ATOM 929 C ILE A 58 -7.141 0.021 -7.894 1.00 0.00 C ATOM 930 O ILE A 58 -8.352 -0.079 -8.089 1.00 0.00 O ATOM 931 CB ILE A 58 -7.324 1.447 -5.773 1.00 0.00 C ATOM 932 CG1 ILE A 58 -6.605 2.504 -4.931 1.00 0.00 C ATOM 933 CG2 ILE A 58 -7.534 0.144 -5.000 1.00 0.00 C ATOM 934 CD1 ILE A 58 -7.434 3.786 -4.835 1.00 0.00 C ATOM 0 H ILE A 58 -7.433 2.940 -7.862 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.562 0.924 -6.800 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.311 1.842 -6.012 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.418 2.112 -3.931 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.634 2.727 -5.373 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.066 0.353 -4.072 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.120 -0.548 -5.605 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.567 -0.303 -4.771 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.900 4.520 -4.231 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -7.599 4.189 -5.834 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -8.395 3.564 -4.371 1.00 0.00 H new ATOM 946 N LYS A 59 -6.236 -0.835 -8.342 1.00 0.00 N ATOM 947 CA LYS A 59 -6.626 -1.995 -9.125 1.00 0.00 C ATOM 948 C LYS A 59 -6.389 -3.264 -8.303 1.00 0.00 C ATOM 949 O LYS A 59 -5.399 -3.363 -7.580 1.00 0.00 O ATOM 950 CB LYS A 59 -5.908 -1.996 -10.477 1.00 0.00 C ATOM 951 CG LYS A 59 -6.517 -0.957 -11.421 1.00 0.00 C ATOM 952 CD LYS A 59 -5.463 -0.408 -12.384 1.00 0.00 C ATOM 953 CE LYS A 59 -5.107 -1.441 -13.455 1.00 0.00 C ATOM 954 NZ LYS A 59 -5.939 -1.243 -14.663 1.00 0.00 N ATOM 0 H LYS A 59 -5.233 -0.749 -8.178 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.691 -1.958 -9.355 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.849 -1.783 -10.331 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.975 -2.986 -10.928 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.332 -1.408 -11.987 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.946 -0.140 -10.841 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.837 0.499 -12.859 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.567 -0.131 -11.829 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.052 -1.355 -13.715 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -5.258 -2.447 -13.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -5.685 -1.952 -15.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.943 -1.347 -14.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.775 -0.290 -15.045 1.00 0.00 H new ATOM 968 N GLU A 60 -7.315 -4.201 -8.441 1.00 0.00 N ATOM 969 CA GLU A 60 -7.219 -5.459 -7.719 1.00 0.00 C ATOM 970 C GLU A 60 -6.397 -6.470 -8.522 1.00 0.00 C ATOM 971 O GLU A 60 -6.941 -7.203 -9.346 1.00 0.00 O ATOM 972 CB GLU A 60 -8.608 -6.014 -7.398 1.00 0.00 C ATOM 973 CG GLU A 60 -9.377 -5.066 -6.476 1.00 0.00 C ATOM 974 CD GLU A 60 -10.888 -5.246 -6.641 1.00 0.00 C ATOM 975 OE1 GLU A 60 -11.432 -4.637 -7.587 1.00 0.00 O ATOM 976 OE2 GLU A 60 -11.464 -5.989 -5.817 1.00 0.00 O ATOM 0 H GLU A 60 -8.135 -4.115 -9.041 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.710 -5.275 -6.773 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.167 -6.162 -8.322 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.513 -6.991 -6.924 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.096 -5.253 -5.440 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.104 -4.035 -6.699 1.00 0.00 H new ATOM 983 N ILE A 61 -5.100 -6.476 -8.252 1.00 0.00 N ATOM 984 CA ILE A 61 -4.197 -7.385 -8.938 1.00 0.00 C ATOM 985 C ILE A 61 -4.409 -8.805 -8.409 1.00 0.00 C ATOM 986 O ILE A 61 -4.227 -9.061 -7.219 1.00 0.00 O ATOM 987 CB ILE A 61 -2.753 -6.895 -8.822 1.00 0.00 C ATOM 988 CG1 ILE A 61 -2.684 -5.368 -8.896 1.00 0.00 C ATOM 989 CG2 ILE A 61 -1.861 -7.560 -9.873 1.00 0.00 C ATOM 990 CD1 ILE A 61 -3.554 -4.835 -10.036 1.00 0.00 C ATOM 0 H ILE A 61 -4.653 -5.866 -7.568 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.417 -7.406 -10.005 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.371 -7.188 -7.844 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.015 -4.939 -7.950 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.651 -5.054 -9.045 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.840 -7.194 -9.768 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.875 -8.641 -9.731 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.232 -7.320 -10.869 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.487 -3.747 -10.067 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.205 -5.247 -10.983 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.590 -5.130 -9.872 1.00 0.00 H new ATOM 1123 N PHE A 71 -6.644 -11.424 -1.995 1.00 0.00 N ATOM 1124 CA PHE A 71 -6.653 -10.046 -1.533 1.00 0.00 C ATOM 1125 C PHE A 71 -5.349 -9.336 -1.902 1.00 0.00 C ATOM 1126 O PHE A 71 -4.456 -9.196 -1.067 1.00 0.00 O ATOM 1127 CB PHE A 71 -6.785 -10.086 -0.009 1.00 0.00 C ATOM 1128 CG PHE A 71 -7.909 -10.994 0.494 1.00 0.00 C ATOM 1129 CD1 PHE A 71 -9.073 -11.085 -0.203 1.00 0.00 C ATOM 1130 CD2 PHE A 71 -7.744 -11.710 1.639 1.00 0.00 C ATOM 1131 CE1 PHE A 71 -10.116 -11.927 0.264 1.00 0.00 C ATOM 1132 CE2 PHE A 71 -8.787 -12.552 2.106 1.00 0.00 C ATOM 1133 CZ PHE A 71 -9.952 -12.643 1.409 1.00 0.00 C ATOM 0 HA PHE A 71 -7.475 -9.503 -1.998 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -5.841 -10.423 0.419 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -6.958 -9.074 0.357 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -9.204 -10.517 -1.112 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -6.819 -11.638 2.193 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -11.040 -11.999 -0.290 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -8.656 -13.121 3.015 1.00 0.00 H new ATOM 0 HZ PHE A 71 -10.746 -13.283 1.764 1.00 0.00 H new ATOM 1143 N VAL A 72 -5.280 -8.905 -3.153 1.00 0.00 N ATOM 1144 CA VAL A 72 -4.100 -8.213 -3.642 1.00 0.00 C ATOM 1145 C VAL A 72 -4.532 -7.031 -4.512 1.00 0.00 C ATOM 1146 O VAL A 72 -5.281 -7.203 -5.473 1.00 0.00 O ATOM 1147 CB VAL A 72 -3.185 -9.194 -4.378 1.00 0.00 C ATOM 1148 CG1 VAL A 72 -2.086 -8.451 -5.141 1.00 0.00 C ATOM 1149 CG2 VAL A 72 -2.585 -10.215 -3.410 1.00 0.00 C ATOM 0 H VAL A 72 -6.022 -9.022 -3.843 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.521 -7.811 -2.811 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.790 -9.736 -5.105 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.450 -9.171 -5.655 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.539 -7.781 -5.871 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.485 -7.871 -4.441 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.939 -10.900 -3.958 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -2.001 -9.696 -2.650 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -3.387 -10.777 -2.931 1.00 0.00 H new ATOM 1159 N PHE A 73 -4.041 -5.856 -4.145 1.00 0.00 N ATOM 1160 CA PHE A 73 -4.367 -4.646 -4.880 1.00 0.00 C ATOM 1161 C PHE A 73 -3.159 -3.710 -4.960 1.00 0.00 C ATOM 1162 O PHE A 73 -2.437 -3.538 -3.979 1.00 0.00 O ATOM 1163 CB PHE A 73 -5.490 -3.945 -4.113 1.00 0.00 C ATOM 1164 CG PHE A 73 -5.019 -3.203 -2.861 1.00 0.00 C ATOM 1165 CD1 PHE A 73 -4.866 -3.875 -1.689 1.00 0.00 C ATOM 1166 CD2 PHE A 73 -4.753 -1.870 -2.920 1.00 0.00 C ATOM 1167 CE1 PHE A 73 -4.429 -3.186 -0.526 1.00 0.00 C ATOM 1168 CE2 PHE A 73 -4.316 -1.181 -1.758 1.00 0.00 C ATOM 1169 CZ PHE A 73 -4.163 -1.854 -0.586 1.00 0.00 C ATOM 0 H PHE A 73 -3.420 -5.717 -3.348 1.00 0.00 H new ATOM 0 HA PHE A 73 -4.665 -4.898 -5.898 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -5.984 -3.237 -4.779 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -6.236 -4.685 -3.825 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -5.077 -4.933 -1.642 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -4.874 -1.336 -3.851 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -4.308 -3.720 0.405 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -4.105 -0.123 -1.805 1.00 0.00 H new ATOM 0 HZ PHE A 73 -3.830 -1.330 0.298 1.00 0.00 H new ATOM 1179 N GLU A 74 -2.976 -3.131 -6.137 1.00 0.00 N ATOM 1180 CA GLU A 74 -1.868 -2.217 -6.357 1.00 0.00 C ATOM 1181 C GLU A 74 -2.391 -0.823 -6.710 1.00 0.00 C ATOM 1182 O GLU A 74 -3.416 -0.692 -7.376 1.00 0.00 O ATOM 1183 CB GLU A 74 -0.931 -2.744 -7.447 1.00 0.00 C ATOM 1184 CG GLU A 74 -1.240 -2.093 -8.796 1.00 0.00 C ATOM 1185 CD GLU A 74 -0.619 -2.890 -9.945 1.00 0.00 C ATOM 1186 OE1 GLU A 74 0.111 -3.857 -9.635 1.00 0.00 O ATOM 1187 OE2 GLU A 74 -0.888 -2.515 -11.107 1.00 0.00 O ATOM 0 H GLU A 74 -3.576 -3.277 -6.949 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.293 -2.144 -5.434 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.104 -2.543 -7.171 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.035 -3.826 -7.529 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.319 -2.030 -8.934 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.857 -1.073 -8.808 1.00 0.00 H new ATOM 1194 N ILE A 75 -1.662 0.182 -6.247 1.00 0.00 N ATOM 1195 CA ILE A 75 -2.039 1.561 -6.506 1.00 0.00 C ATOM 1196 C ILE A 75 -1.130 2.139 -7.592 1.00 0.00 C ATOM 1197 O ILE A 75 0.089 1.988 -7.531 1.00 0.00 O ATOM 1198 CB ILE A 75 -2.037 2.369 -5.207 1.00 0.00 C ATOM 1199 CG1 ILE A 75 -2.787 1.628 -4.098 1.00 0.00 C ATOM 1200 CG2 ILE A 75 -2.595 3.776 -5.435 1.00 0.00 C ATOM 1201 CD1 ILE A 75 -2.236 2.000 -2.720 1.00 0.00 C ATOM 0 H ILE A 75 -0.812 0.069 -5.694 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.060 1.612 -6.885 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.004 2.481 -4.877 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.848 1.871 -4.147 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -2.699 0.552 -4.251 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -2.582 4.329 -4.496 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.981 4.296 -6.171 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.619 3.706 -5.801 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.787 1.460 -1.950 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.180 1.733 -2.666 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.348 3.072 -2.561 1.00 0.00 H new ATOM 1213 N ILE A 76 -1.758 2.790 -8.560 1.00 0.00 N ATOM 1214 CA ILE A 76 -1.021 3.392 -9.658 1.00 0.00 C ATOM 1215 C ILE A 76 -1.094 4.915 -9.541 1.00 0.00 C ATOM 1216 O ILE A 76 -2.181 5.482 -9.438 1.00 0.00 O ATOM 1217 CB ILE A 76 -1.522 2.853 -10.999 1.00 0.00 C ATOM 1218 CG1 ILE A 76 -1.130 1.385 -11.181 1.00 0.00 C ATOM 1219 CG2 ILE A 76 -1.034 3.725 -12.158 1.00 0.00 C ATOM 1220 CD1 ILE A 76 -2.362 0.479 -11.141 1.00 0.00 C ATOM 0 H ILE A 76 -2.769 2.914 -8.607 1.00 0.00 H new ATOM 0 HA ILE A 76 0.033 3.118 -9.605 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.611 2.898 -10.999 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.612 1.259 -12.132 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.433 1.091 -10.396 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.404 3.319 -13.099 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.405 4.742 -12.030 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.056 3.736 -12.171 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.055 -0.559 -11.273 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.864 0.590 -10.180 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -3.046 0.759 -11.942 1.00 0.00 H new ATOM 1232 N PRO A 77 0.108 5.552 -9.562 1.00 0.00 N ATOM 1233 CA PRO A 77 0.190 6.999 -9.460 1.00 0.00 C ATOM 1234 C PRO A 77 -0.226 7.666 -10.773 1.00 0.00 C ATOM 1235 O PRO A 77 -0.277 7.014 -11.815 1.00 0.00 O ATOM 1236 CB PRO A 77 1.633 7.285 -9.079 1.00 0.00 C ATOM 1237 CG PRO A 77 2.415 6.031 -9.436 1.00 0.00 C ATOM 1238 CD PRO A 77 1.415 4.914 -9.683 1.00 0.00 C ATOM 0 HA PRO A 77 -0.493 7.408 -8.715 1.00 0.00 H new ATOM 0 HB2 PRO A 77 2.015 8.151 -9.620 1.00 0.00 H new ATOM 0 HB3 PRO A 77 1.719 7.510 -8.016 1.00 0.00 H new ATOM 0 HG2 PRO A 77 3.025 6.201 -10.323 1.00 0.00 H new ATOM 0 HG3 PRO A 77 3.096 5.762 -8.628 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.550 4.473 -10.671 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.532 4.110 -8.956 1.00 0.00 H new ATOM 1411 N SER A 89 4.035 0.716 -9.942 1.00 0.00 N ATOM 1412 CA SER A 89 2.854 0.862 -9.109 1.00 0.00 C ATOM 1413 C SER A 89 3.155 0.387 -7.686 1.00 0.00 C ATOM 1414 O SER A 89 4.225 -0.160 -7.424 1.00 0.00 O ATOM 1415 CB SER A 89 1.671 0.085 -9.689 1.00 0.00 C ATOM 1416 OG SER A 89 1.939 -1.312 -9.772 1.00 0.00 O ATOM 0 HA SER A 89 2.583 1.917 -9.083 1.00 0.00 H new ATOM 0 HB2 SER A 89 0.790 0.249 -9.068 1.00 0.00 H new ATOM 0 HB3 SER A 89 1.437 0.469 -10.682 1.00 0.00 H new ATOM 0 HG SER A 89 2.903 -1.455 -9.875 1.00 0.00 H new ATOM 1422 N TYR A 90 2.192 0.614 -6.805 1.00 0.00 N ATOM 1423 CA TYR A 90 2.340 0.215 -5.415 1.00 0.00 C ATOM 1424 C TYR A 90 1.596 -1.092 -5.137 1.00 0.00 C ATOM 1425 O TYR A 90 0.418 -1.077 -4.783 1.00 0.00 O ATOM 1426 CB TYR A 90 1.708 1.335 -4.586 1.00 0.00 C ATOM 1427 CG TYR A 90 2.722 2.211 -3.847 1.00 0.00 C ATOM 1428 CD1 TYR A 90 3.990 2.384 -4.364 1.00 0.00 C ATOM 1429 CD2 TYR A 90 2.368 2.827 -2.664 1.00 0.00 C ATOM 1430 CE1 TYR A 90 4.944 3.208 -3.668 1.00 0.00 C ATOM 1431 CE2 TYR A 90 3.323 3.652 -1.969 1.00 0.00 C ATOM 1432 CZ TYR A 90 4.563 3.802 -2.505 1.00 0.00 C ATOM 1433 OH TYR A 90 5.465 4.580 -1.849 1.00 0.00 O ATOM 0 H TYR A 90 1.306 1.069 -7.026 1.00 0.00 H new ATOM 0 HA TYR A 90 3.390 0.056 -5.171 1.00 0.00 H new ATOM 0 HB2 TYR A 90 1.109 1.966 -5.243 1.00 0.00 H new ATOM 0 HB3 TYR A 90 1.026 0.894 -3.859 1.00 0.00 H new ATOM 0 HD1 TYR A 90 4.266 1.902 -5.290 1.00 0.00 H new ATOM 0 HD2 TYR A 90 1.376 2.691 -2.259 1.00 0.00 H new ATOM 0 HE1 TYR A 90 5.940 3.351 -4.061 1.00 0.00 H new ATOM 0 HE2 TYR A 90 3.059 4.140 -1.043 1.00 0.00 H new ATOM 0 HH TYR A 90 5.294 4.538 -0.885 1.00 0.00 H new ATOM 1443 N VAL A 91 2.314 -2.192 -5.307 1.00 0.00 N ATOM 1444 CA VAL A 91 1.736 -3.506 -5.079 1.00 0.00 C ATOM 1445 C VAL A 91 1.541 -3.718 -3.576 1.00 0.00 C ATOM 1446 O VAL A 91 2.493 -4.026 -2.860 1.00 0.00 O ATOM 1447 CB VAL A 91 2.611 -4.582 -5.726 1.00 0.00 C ATOM 1448 CG1 VAL A 91 2.181 -5.980 -5.278 1.00 0.00 C ATOM 1449 CG2 VAL A 91 2.587 -4.463 -7.251 1.00 0.00 C ATOM 0 H VAL A 91 3.291 -2.201 -5.600 1.00 0.00 H new ATOM 0 HA VAL A 91 0.755 -3.579 -5.548 1.00 0.00 H new ATOM 0 HB VAL A 91 3.637 -4.425 -5.394 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.819 -6.726 -5.752 1.00 0.00 H new ATOM 0 HG12 VAL A 91 2.273 -6.059 -4.195 1.00 0.00 H new ATOM 0 HG13 VAL A 91 1.144 -6.152 -5.567 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.217 -5.239 -7.686 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.564 -4.582 -7.609 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.963 -3.483 -7.545 1.00 0.00 H new ATOM 1459 N LEU A 92 0.301 -3.546 -3.143 1.00 0.00 N ATOM 1460 CA LEU A 92 -0.032 -3.714 -1.739 1.00 0.00 C ATOM 1461 C LEU A 92 -0.863 -4.987 -1.565 1.00 0.00 C ATOM 1462 O LEU A 92 -1.753 -5.265 -2.366 1.00 0.00 O ATOM 1463 CB LEU A 92 -0.712 -2.457 -1.194 1.00 0.00 C ATOM 1464 CG LEU A 92 -0.005 -1.132 -1.488 1.00 0.00 C ATOM 1465 CD1 LEU A 92 -0.636 0.014 -0.693 1.00 0.00 C ATOM 1466 CD2 LEU A 92 1.499 -1.244 -1.234 1.00 0.00 C ATOM 0 H LEU A 92 -0.486 -3.292 -3.740 1.00 0.00 H new ATOM 0 HA LEU A 92 0.874 -3.840 -1.146 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.721 -2.407 -1.604 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.812 -2.561 -0.114 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.137 -0.903 -2.545 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.115 0.944 -0.920 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.687 0.111 -0.966 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.556 -0.196 0.374 1.00 0.00 H new ATOM 0 HD21 LEU A 92 1.977 -0.289 -1.451 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.673 -1.508 -0.191 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.921 -2.015 -1.879 1.00 0.00 H new ATOM 1478 N MET A 93 -0.542 -5.726 -0.513 1.00 0.00 N ATOM 1479 CA MET A 93 -1.248 -6.963 -0.224 1.00 0.00 C ATOM 1480 C MET A 93 -1.655 -7.030 1.249 1.00 0.00 C ATOM 1481 O MET A 93 -0.804 -6.974 2.135 1.00 0.00 O ATOM 1482 CB MET A 93 -0.349 -8.155 -0.561 1.00 0.00 C ATOM 1483 CG MET A 93 -1.008 -9.472 -0.147 1.00 0.00 C ATOM 1484 SD MET A 93 0.103 -10.412 0.887 1.00 0.00 S ATOM 1485 CE MET A 93 1.455 -10.656 -0.254 1.00 0.00 C ATOM 0 H MET A 93 0.197 -5.492 0.150 1.00 0.00 H new ATOM 0 HA MET A 93 -2.152 -6.995 -0.833 1.00 0.00 H new ATOM 0 HB2 MET A 93 -0.142 -8.168 -1.631 1.00 0.00 H new ATOM 0 HB3 MET A 93 0.609 -8.048 -0.052 1.00 0.00 H new ATOM 0 HG2 MET A 93 -1.935 -9.271 0.390 1.00 0.00 H new ATOM 0 HG3 MET A 93 -1.271 -10.051 -1.032 1.00 0.00 H new ATOM 0 HE1 MET A 93 1.669 -11.721 -0.342 1.00 0.00 H new ATOM 0 HE2 MET A 93 1.182 -10.259 -1.232 1.00 0.00 H new ATOM 0 HE3 MET A 93 2.340 -10.137 0.114 1.00 0.00 H new ATOM 1495 N ALA A 94 -2.957 -7.151 1.465 1.00 0.00 N ATOM 1496 CA ALA A 94 -3.488 -7.226 2.815 1.00 0.00 C ATOM 1497 C ALA A 94 -3.550 -8.691 3.253 1.00 0.00 C ATOM 1498 O ALA A 94 -3.557 -9.593 2.416 1.00 0.00 O ATOM 1499 CB ALA A 94 -4.856 -6.544 2.865 1.00 0.00 C ATOM 0 H ALA A 94 -3.660 -7.199 0.727 1.00 0.00 H new ATOM 0 HA ALA A 94 -2.837 -6.700 3.513 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.254 -6.601 3.878 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -4.752 -5.499 2.574 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -5.538 -7.046 2.179 1.00 0.00 H new ATOM 1505 N SER A 95 -3.595 -8.883 4.563 1.00 0.00 N ATOM 1506 CA SER A 95 -3.656 -10.223 5.121 1.00 0.00 C ATOM 1507 C SER A 95 -5.098 -10.735 5.094 1.00 0.00 C ATOM 1508 O SER A 95 -5.344 -11.891 4.753 1.00 0.00 O ATOM 1509 CB SER A 95 -3.110 -10.250 6.550 1.00 0.00 C ATOM 1510 OG SER A 95 -3.691 -9.234 7.363 1.00 0.00 O ATOM 0 H SER A 95 -3.590 -8.133 5.254 1.00 0.00 H new ATOM 0 HA SER A 95 -3.033 -10.877 4.511 1.00 0.00 H new ATOM 0 HB2 SER A 95 -3.306 -11.226 6.994 1.00 0.00 H new ATOM 0 HB3 SER A 95 -2.028 -10.121 6.527 1.00 0.00 H new ATOM 0 HG SER A 95 -3.318 -9.286 8.268 1.00 0.00 H new ATOM 1516 N SER A 96 -6.014 -9.850 5.459 1.00 0.00 N ATOM 1517 CA SER A 96 -7.424 -10.198 5.481 1.00 0.00 C ATOM 1518 C SER A 96 -8.219 -9.215 4.619 1.00 0.00 C ATOM 1519 O SER A 96 -7.884 -8.033 4.550 1.00 0.00 O ATOM 1520 CB SER A 96 -7.967 -10.209 6.911 1.00 0.00 C ATOM 1521 OG SER A 96 -7.081 -10.868 7.813 1.00 0.00 O ATOM 0 H SER A 96 -5.807 -8.892 5.742 1.00 0.00 H new ATOM 0 HA SER A 96 -7.534 -11.202 5.072 1.00 0.00 H new ATOM 0 HB2 SER A 96 -8.129 -9.184 7.245 1.00 0.00 H new ATOM 0 HB3 SER A 96 -8.937 -10.706 6.927 1.00 0.00 H new ATOM 0 HG SER A 96 -7.462 -10.853 8.716 1.00 0.00 H new ATOM 1527 N GLN A 97 -9.258 -9.739 3.985 1.00 0.00 N ATOM 1528 CA GLN A 97 -10.103 -8.922 3.131 1.00 0.00 C ATOM 1529 C GLN A 97 -10.568 -7.673 3.883 1.00 0.00 C ATOM 1530 O GLN A 97 -10.492 -6.563 3.357 1.00 0.00 O ATOM 1531 CB GLN A 97 -11.297 -9.725 2.612 1.00 0.00 C ATOM 1532 CG GLN A 97 -12.078 -8.931 1.563 1.00 0.00 C ATOM 1533 CD GLN A 97 -12.802 -9.867 0.593 1.00 0.00 C ATOM 1534 OE1 GLN A 97 -13.472 -10.809 0.982 1.00 0.00 O ATOM 1535 NE2 GLN A 97 -12.629 -9.556 -0.689 1.00 0.00 N ATOM 0 H GLN A 97 -9.534 -10.719 4.046 1.00 0.00 H new ATOM 0 HA GLN A 97 -9.517 -8.606 2.268 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -10.948 -10.662 2.178 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -11.955 -9.983 3.442 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -12.802 -8.283 2.057 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -11.397 -8.284 1.010 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -12.055 -8.753 -0.946 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -13.071 -10.120 -1.415 1.00 0.00 H new ATOM 1544 N ALA A 98 -11.039 -7.895 5.101 1.00 0.00 N ATOM 1545 CA ALA A 98 -11.516 -6.802 5.930 1.00 0.00 C ATOM 1546 C ALA A 98 -10.520 -5.643 5.861 1.00 0.00 C ATOM 1547 O ALA A 98 -10.910 -4.495 5.650 1.00 0.00 O ATOM 1548 CB ALA A 98 -11.731 -7.301 7.360 1.00 0.00 C ATOM 0 H ALA A 98 -11.100 -8.817 5.534 1.00 0.00 H new ATOM 0 HA ALA A 98 -12.475 -6.435 5.565 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -12.089 -6.480 7.982 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -12.469 -8.103 7.358 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -10.789 -7.675 7.760 1.00 0.00 H new ATOM 1554 N GLU A 99 -9.252 -5.982 6.043 1.00 0.00 N ATOM 1555 CA GLU A 99 -8.197 -4.984 6.003 1.00 0.00 C ATOM 1556 C GLU A 99 -8.178 -4.286 4.642 1.00 0.00 C ATOM 1557 O GLU A 99 -7.992 -3.072 4.566 1.00 0.00 O ATOM 1558 CB GLU A 99 -6.837 -5.612 6.317 1.00 0.00 C ATOM 1559 CG GLU A 99 -5.799 -4.536 6.641 1.00 0.00 C ATOM 1560 CD GLU A 99 -5.279 -4.688 8.072 1.00 0.00 C ATOM 1561 OE1 GLU A 99 -4.990 -5.844 8.451 1.00 0.00 O ATOM 1562 OE2 GLU A 99 -5.183 -3.645 8.755 1.00 0.00 O ATOM 0 H GLU A 99 -8.932 -6.934 6.219 1.00 0.00 H new ATOM 0 HA GLU A 99 -8.401 -4.236 6.769 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -6.934 -6.295 7.161 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -6.500 -6.203 5.466 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -4.968 -4.605 5.939 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -6.242 -3.548 6.514 1.00 0.00 H new ATOM 1569 N MET A 100 -8.372 -5.082 3.601 1.00 0.00 N ATOM 1570 CA MET A 100 -8.380 -4.555 2.247 1.00 0.00 C ATOM 1571 C MET A 100 -9.614 -3.683 2.005 1.00 0.00 C ATOM 1572 O MET A 100 -9.491 -2.500 1.691 1.00 0.00 O ATOM 1573 CB MET A 100 -8.368 -5.713 1.248 1.00 0.00 C ATOM 1574 CG MET A 100 -7.606 -5.334 -0.023 1.00 0.00 C ATOM 1575 SD MET A 100 -7.795 -6.613 -1.253 1.00 0.00 S ATOM 1576 CE MET A 100 -9.556 -6.522 -1.527 1.00 0.00 C ATOM 0 H MET A 100 -8.525 -6.088 3.668 1.00 0.00 H new ATOM 0 HA MET A 100 -7.491 -3.939 2.112 1.00 0.00 H new ATOM 0 HB2 MET A 100 -7.906 -6.588 1.706 1.00 0.00 H new ATOM 0 HB3 MET A 100 -9.391 -5.989 0.994 1.00 0.00 H new ATOM 0 HG2 MET A 100 -7.979 -4.386 -0.412 1.00 0.00 H new ATOM 0 HG3 MET A 100 -6.550 -5.191 0.205 1.00 0.00 H new ATOM 0 HE1 MET A 100 -9.783 -6.847 -2.542 1.00 0.00 H new ATOM 0 HE2 MET A 100 -10.069 -7.169 -0.816 1.00 0.00 H new ATOM 0 HE3 MET A 100 -9.893 -5.494 -1.391 1.00 0.00 H new ATOM 1586 N GLU A 101 -10.775 -4.302 2.159 1.00 0.00 N ATOM 1587 CA GLU A 101 -12.030 -3.598 1.960 1.00 0.00 C ATOM 1588 C GLU A 101 -11.943 -2.184 2.539 1.00 0.00 C ATOM 1589 O GLU A 101 -12.171 -1.204 1.830 1.00 0.00 O ATOM 1590 CB GLU A 101 -13.197 -4.371 2.578 1.00 0.00 C ATOM 1591 CG GLU A 101 -14.041 -5.047 1.496 1.00 0.00 C ATOM 1592 CD GLU A 101 -14.454 -4.045 0.416 1.00 0.00 C ATOM 1593 OE1 GLU A 101 -15.323 -3.202 0.727 1.00 0.00 O ATOM 1594 OE2 GLU A 101 -13.890 -4.144 -0.695 1.00 0.00 O ATOM 0 H GLU A 101 -10.873 -5.283 2.419 1.00 0.00 H new ATOM 0 HA GLU A 101 -12.214 -3.521 0.888 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -12.815 -5.123 3.269 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -13.821 -3.692 3.159 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -13.475 -5.861 1.044 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -14.930 -5.489 1.946 1.00 0.00 H new ATOM 1601 N GLU A 102 -11.612 -2.122 3.820 1.00 0.00 N ATOM 1602 CA GLU A 102 -11.491 -0.844 4.501 1.00 0.00 C ATOM 1603 C GLU A 102 -10.425 0.019 3.824 1.00 0.00 C ATOM 1604 O GLU A 102 -10.670 1.185 3.516 1.00 0.00 O ATOM 1605 CB GLU A 102 -11.176 -1.042 5.985 1.00 0.00 C ATOM 1606 CG GLU A 102 -11.032 0.304 6.699 1.00 0.00 C ATOM 1607 CD GLU A 102 -12.276 0.619 7.531 1.00 0.00 C ATOM 1608 OE1 GLU A 102 -13.375 0.613 6.935 1.00 0.00 O ATOM 1609 OE2 GLU A 102 -12.101 0.859 8.745 1.00 0.00 O ATOM 0 H GLU A 102 -11.424 -2.936 4.405 1.00 0.00 H new ATOM 0 HA GLU A 102 -12.447 -0.325 4.432 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -11.969 -1.624 6.454 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -10.255 -1.615 6.092 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -10.154 0.285 7.344 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -10.871 1.094 5.965 1.00 0.00 H new ATOM 1616 N TRP A 103 -9.265 -0.585 3.614 1.00 0.00 N ATOM 1617 CA TRP A 103 -8.161 0.114 2.979 1.00 0.00 C ATOM 1618 C TRP A 103 -8.665 0.690 1.654 1.00 0.00 C ATOM 1619 O TRP A 103 -8.836 1.901 1.524 1.00 0.00 O ATOM 1620 CB TRP A 103 -6.953 -0.809 2.809 1.00 0.00 C ATOM 1621 CG TRP A 103 -5.999 -0.812 4.005 1.00 0.00 C ATOM 1622 CD1 TRP A 103 -5.515 -1.869 4.671 1.00 0.00 C ATOM 1623 CD2 TRP A 103 -5.428 0.345 4.653 1.00 0.00 C ATOM 1624 NE1 TRP A 103 -4.678 -1.480 5.698 1.00 0.00 N ATOM 1625 CE2 TRP A 103 -4.624 -0.091 5.686 1.00 0.00 C ATOM 1626 CE3 TRP A 103 -5.587 1.714 4.375 1.00 0.00 C ATOM 1627 CZ2 TRP A 103 -3.915 0.778 6.524 1.00 0.00 C ATOM 1628 CZ3 TRP A 103 -4.872 2.569 5.222 1.00 0.00 C ATOM 1629 CH2 TRP A 103 -4.058 2.147 6.266 1.00 0.00 C ATOM 0 H TRP A 103 -9.066 -1.551 3.872 1.00 0.00 H new ATOM 0 HA TRP A 103 -7.813 0.935 3.605 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -7.307 -1.826 2.637 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -6.402 -0.508 1.918 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -5.750 -2.896 4.434 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -4.189 -2.098 6.346 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -6.211 2.077 3.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -3.291 0.412 7.326 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -4.959 3.632 5.052 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -3.538 2.871 6.876 1.00 0.00 H new ATOM 1640 N VAL A 104 -8.889 -0.206 0.704 1.00 0.00 N ATOM 1641 CA VAL A 104 -9.370 0.198 -0.607 1.00 0.00 C ATOM 1642 C VAL A 104 -10.422 1.297 -0.443 1.00 0.00 C ATOM 1643 O VAL A 104 -10.338 2.343 -1.086 1.00 0.00 O ATOM 1644 CB VAL A 104 -9.893 -1.020 -1.371 1.00 0.00 C ATOM 1645 CG1 VAL A 104 -10.694 -0.593 -2.602 1.00 0.00 C ATOM 1646 CG2 VAL A 104 -8.747 -1.957 -1.759 1.00 0.00 C ATOM 0 H VAL A 104 -8.746 -1.210 0.816 1.00 0.00 H new ATOM 0 HA VAL A 104 -8.556 0.613 -1.201 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.564 -1.568 -0.709 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -11.054 -1.478 -3.127 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -11.543 0.015 -2.290 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -10.056 -0.011 -3.267 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -9.146 -2.815 -2.301 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -8.040 -1.423 -2.394 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -8.238 -2.301 -0.859 1.00 0.00 H new ATOM 1656 N LYS A 105 -11.388 1.023 0.422 1.00 0.00 N ATOM 1657 CA LYS A 105 -12.455 1.976 0.678 1.00 0.00 C ATOM 1658 C LYS A 105 -11.851 3.364 0.902 1.00 0.00 C ATOM 1659 O LYS A 105 -12.074 4.277 0.110 1.00 0.00 O ATOM 1660 CB LYS A 105 -13.336 1.495 1.833 1.00 0.00 C ATOM 1661 CG LYS A 105 -14.453 2.499 2.125 1.00 0.00 C ATOM 1662 CD LYS A 105 -14.118 3.352 3.350 1.00 0.00 C ATOM 1663 CE LYS A 105 -14.358 2.571 4.644 1.00 0.00 C ATOM 1664 NZ LYS A 105 -15.792 2.606 5.011 1.00 0.00 N ATOM 0 H LYS A 105 -11.454 0.155 0.954 1.00 0.00 H new ATOM 0 HA LYS A 105 -13.115 2.051 -0.187 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -13.769 0.526 1.586 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -12.727 1.354 2.726 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -14.603 3.143 1.259 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -15.390 1.967 2.293 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -13.077 3.671 3.302 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -14.729 4.255 3.347 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -14.034 1.538 4.518 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -13.760 2.997 5.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -15.938 2.072 5.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -16.090 3.592 5.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -16.356 2.179 4.249 1.00 0.00 H new ATOM 1678 N PHE A 106 -11.097 3.478 1.986 1.00 0.00 N ATOM 1679 CA PHE A 106 -10.459 4.738 2.324 1.00 0.00 C ATOM 1680 C PHE A 106 -9.631 5.267 1.151 1.00 0.00 C ATOM 1681 O PHE A 106 -9.777 6.422 0.753 1.00 0.00 O ATOM 1682 CB PHE A 106 -9.528 4.465 3.507 1.00 0.00 C ATOM 1683 CG PHE A 106 -10.229 4.475 4.867 1.00 0.00 C ATOM 1684 CD1 PHE A 106 -10.928 5.573 5.264 1.00 0.00 C ATOM 1685 CD2 PHE A 106 -10.155 3.386 5.678 1.00 0.00 C ATOM 1686 CE1 PHE A 106 -11.579 5.582 6.525 1.00 0.00 C ATOM 1687 CE2 PHE A 106 -10.807 3.395 6.940 1.00 0.00 C ATOM 1688 CZ PHE A 106 -11.505 4.493 7.337 1.00 0.00 C ATOM 0 H PHE A 106 -10.914 2.718 2.641 1.00 0.00 H new ATOM 0 HA PHE A 106 -11.216 5.484 2.565 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -9.050 3.496 3.364 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -8.736 5.214 3.513 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -10.987 6.438 4.619 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -9.601 2.514 5.363 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -12.133 6.454 6.840 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -10.749 2.530 7.584 1.00 0.00 H new ATOM 0 HZ PHE A 106 -12.000 4.500 8.297 1.00 0.00 H new ATOM 1698 N LEU A 107 -8.780 4.395 0.628 1.00 0.00 N ATOM 1699 CA LEU A 107 -7.930 4.759 -0.492 1.00 0.00 C ATOM 1700 C LEU A 107 -8.793 5.334 -1.617 1.00 0.00 C ATOM 1701 O LEU A 107 -8.738 6.530 -1.897 1.00 0.00 O ATOM 1702 CB LEU A 107 -7.071 3.568 -0.922 1.00 0.00 C ATOM 1703 CG LEU A 107 -6.040 3.081 0.098 1.00 0.00 C ATOM 1704 CD1 LEU A 107 -5.775 1.583 -0.063 1.00 0.00 C ATOM 1705 CD2 LEU A 107 -4.753 3.903 0.011 1.00 0.00 C ATOM 0 H LEU A 107 -8.662 3.438 0.960 1.00 0.00 H new ATOM 0 HA LEU A 107 -7.228 5.539 -0.199 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -7.733 2.737 -1.165 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -6.547 3.836 -1.839 1.00 0.00 H new ATOM 0 HG LEU A 107 -6.451 3.230 1.097 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -5.039 1.263 0.674 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.703 1.031 0.087 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -5.394 1.386 -1.065 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.037 3.537 0.746 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.328 3.808 -0.988 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.976 4.951 0.213 1.00 0.00 H new ATOM 1717 N ARG A 108 -9.570 4.454 -2.231 1.00 0.00 N ATOM 1718 CA ARG A 108 -10.443 4.859 -3.319 1.00 0.00 C ATOM 1719 C ARG A 108 -11.288 6.064 -2.902 1.00 0.00 C ATOM 1720 O ARG A 108 -11.339 7.067 -3.613 1.00 0.00 O ATOM 1721 CB ARG A 108 -11.371 3.715 -3.736 1.00 0.00 C ATOM 1722 CG ARG A 108 -10.952 3.133 -5.087 1.00 0.00 C ATOM 1723 CD ARG A 108 -12.134 2.457 -5.783 1.00 0.00 C ATOM 1724 NE ARG A 108 -11.671 1.755 -7.001 1.00 0.00 N ATOM 1725 CZ ARG A 108 -12.489 1.256 -7.938 1.00 0.00 C ATOM 1726 NH1 ARG A 108 -13.816 1.378 -7.802 1.00 0.00 N ATOM 1727 NH2 ARG A 108 -11.979 0.635 -9.010 1.00 0.00 N ATOM 0 H ARG A 108 -9.613 3.462 -1.996 1.00 0.00 H new ATOM 0 HA ARG A 108 -9.812 5.129 -4.166 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -11.353 2.932 -2.978 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -12.397 4.078 -3.795 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -10.557 3.926 -5.722 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -10.149 2.410 -4.942 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -12.610 1.749 -5.104 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -12.886 3.201 -6.046 1.00 0.00 H new ATOM 0 HE ARG A 108 -10.666 1.644 -7.136 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -14.204 1.851 -6.985 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -14.439 0.998 -8.515 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -10.968 0.542 -9.113 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -12.601 0.255 -9.723 1.00 0.00 H new ATOM 1741 N ARG A 109 -11.929 5.927 -1.751 1.00 0.00 N ATOM 1742 CA ARG A 109 -12.768 6.993 -1.230 1.00 0.00 C ATOM 1743 C ARG A 109 -12.131 8.355 -1.510 1.00 0.00 C ATOM 1744 O ARG A 109 -12.622 9.116 -2.343 1.00 0.00 O ATOM 1745 CB ARG A 109 -12.984 6.838 0.276 1.00 0.00 C ATOM 1746 CG ARG A 109 -13.777 8.019 0.841 1.00 0.00 C ATOM 1747 CD ARG A 109 -14.437 7.650 2.171 1.00 0.00 C ATOM 1748 NE ARG A 109 -15.909 7.635 2.019 1.00 0.00 N ATOM 1749 CZ ARG A 109 -16.664 8.737 1.906 1.00 0.00 C ATOM 1750 NH1 ARG A 109 -16.089 9.948 1.927 1.00 0.00 N ATOM 1751 NH2 ARG A 109 -17.992 8.628 1.771 1.00 0.00 N ATOM 0 H ARG A 109 -11.884 5.094 -1.164 1.00 0.00 H new ATOM 0 HA ARG A 109 -13.734 6.930 -1.732 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -13.517 5.908 0.477 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -12.020 6.768 0.780 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -13.114 8.872 0.984 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -14.540 8.325 0.125 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -14.087 6.672 2.501 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -14.150 8.367 2.940 1.00 0.00 H new ATOM 0 HE ARG A 109 -16.378 6.730 1.999 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -15.077 10.031 2.029 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -16.663 10.787 1.841 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -18.429 7.706 1.754 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -18.566 9.466 1.685 1.00 0.00 H new ATOM 1765 N VAL A 110 -11.046 8.623 -0.798 1.00 0.00 N ATOM 1766 CA VAL A 110 -10.336 9.880 -0.959 1.00 0.00 C ATOM 1767 C VAL A 110 -10.064 10.121 -2.445 1.00 0.00 C ATOM 1768 O VAL A 110 -10.370 11.189 -2.971 1.00 0.00 O ATOM 1769 CB VAL A 110 -9.063 9.875 -0.111 1.00 0.00 C ATOM 1770 CG1 VAL A 110 -8.324 11.210 -0.223 1.00 0.00 C ATOM 1771 CG2 VAL A 110 -9.377 9.542 1.349 1.00 0.00 C ATOM 0 H VAL A 110 -10.641 7.990 -0.108 1.00 0.00 H new ATOM 0 HA VAL A 110 -10.945 10.710 -0.601 1.00 0.00 H new ATOM 0 HB VAL A 110 -8.406 9.096 -0.498 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -7.423 11.180 0.389 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -8.050 11.388 -1.263 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -8.972 12.015 0.125 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -8.454 9.545 1.929 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -10.062 10.287 1.753 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -9.838 8.556 1.406 1.00 0.00 H new ATOM 1781 N ALA A 111 -9.492 9.108 -3.081 1.00 0.00 N ATOM 1782 CA ALA A 111 -9.175 9.196 -4.496 1.00 0.00 C ATOM 1783 C ALA A 111 -10.419 9.644 -5.266 1.00 0.00 C ATOM 1784 O ALA A 111 -10.309 10.278 -6.314 1.00 0.00 O ATOM 1785 CB ALA A 111 -8.641 7.848 -4.984 1.00 0.00 C ATOM 0 H ALA A 111 -9.240 8.223 -2.642 1.00 0.00 H new ATOM 0 HA ALA A 111 -8.395 9.938 -4.669 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -8.403 7.914 -6.046 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -7.741 7.589 -4.426 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -9.398 7.079 -4.829 1.00 0.00 H new