USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=16 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 35 GLN : amide:sc= -0.0701 K(o=0.55,f=-0.52) USER MOD Set 1.2: A 50 CYS SG : rot 21:sc= 0.623 USER MOD Set 2.1: A 16 LYS NZ :NH3+ 157:sc= 1.5 (180deg=0.886) USER MOD Set 2.2: A 90 TYR OH : rot -111:sc= 0.6 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -2.31! X(o=-2.3!,f=-1.8) USER MOD Single : A 23 ASN : amide:sc= -1.34 X(o=-1.3,f=-1.4) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.0681 K(o=-0.068,f=-1.8!) 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 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= -0.324 K(o=-0.32,f=-1.5) USER MOD Single : A 51 MET CE :methyl -166:sc= -0.76 (180deg=-1.39!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot 103:sc= -3.23! 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= -0.711 USER MOD Single : A 93 MET CE :methyl -115:sc= -8.03! (180deg=-9.74!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= -0.691 USER MOD Single : A 97 GLN : amide:sc=-0.00264 K(o=-0.0026,f=-1.3) USER MOD Single : A 100 MET CE :methyl 144:sc= -0.572 (180deg=-2.6!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 80 N ILE A 9 -6.370 8.506 9.083 1.00 0.00 N ATOM 81 CA ILE A 9 -7.744 8.031 9.079 1.00 0.00 C ATOM 82 C ILE A 9 -7.751 6.505 9.182 1.00 0.00 C ATOM 83 O ILE A 9 -8.581 5.931 9.886 1.00 0.00 O ATOM 84 CB ILE A 9 -8.493 8.569 7.858 1.00 0.00 C ATOM 85 CG1 ILE A 9 -8.631 10.091 7.925 1.00 0.00 C ATOM 86 CG2 ILE A 9 -9.848 7.876 7.697 1.00 0.00 C ATOM 87 CD1 ILE A 9 -8.042 10.751 6.677 1.00 0.00 C ATOM 0 HA ILE A 9 -8.282 8.412 9.947 1.00 0.00 H new ATOM 0 HB ILE A 9 -7.906 8.339 6.969 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.683 10.360 8.021 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -8.123 10.467 8.813 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.360 8.277 6.822 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.696 6.804 7.569 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.455 8.053 8.585 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -8.153 11.833 6.751 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.984 10.500 6.597 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -8.568 10.391 5.793 1.00 0.00 H new ATOM 99 N LYS A 10 -6.818 5.891 8.470 1.00 0.00 N ATOM 100 CA LYS A 10 -6.707 4.442 8.473 1.00 0.00 C ATOM 101 C LYS A 10 -5.229 4.048 8.522 1.00 0.00 C ATOM 102 O LYS A 10 -4.414 4.589 7.777 1.00 0.00 O ATOM 103 CB LYS A 10 -7.464 3.844 7.285 1.00 0.00 C ATOM 104 CG LYS A 10 -8.237 2.591 7.702 1.00 0.00 C ATOM 105 CD LYS A 10 -7.362 1.342 7.584 1.00 0.00 C ATOM 106 CE LYS A 10 -8.213 0.071 7.618 1.00 0.00 C ATOM 107 NZ LYS A 10 -8.500 -0.323 9.016 1.00 0.00 N ATOM 0 H LYS A 10 -6.132 6.370 7.887 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.178 4.026 9.364 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.155 4.584 6.880 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.761 3.594 6.490 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.585 2.699 8.729 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.122 2.480 7.075 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.793 1.378 6.655 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.639 1.322 8.399 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -9.147 0.237 7.082 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.691 -0.737 7.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -9.078 -1.187 9.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.606 -0.501 9.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.017 0.443 9.493 1.00 0.00 H new ATOM 121 N MET A 11 -4.929 3.109 9.407 1.00 0.00 N ATOM 122 CA MET A 11 -3.564 2.636 9.563 1.00 0.00 C ATOM 123 C MET A 11 -3.525 1.115 9.724 1.00 0.00 C ATOM 124 O MET A 11 -4.471 0.517 10.236 1.00 0.00 O ATOM 125 CB MET A 11 -2.932 3.296 10.790 1.00 0.00 C ATOM 126 CG MET A 11 -3.099 4.816 10.742 1.00 0.00 C ATOM 127 SD MET A 11 -4.677 5.279 11.437 1.00 0.00 S ATOM 128 CE MET A 11 -4.169 5.730 13.087 1.00 0.00 C ATOM 0 H MET A 11 -5.608 2.663 10.024 1.00 0.00 H new ATOM 0 HA MET A 11 -3.003 2.902 8.667 1.00 0.00 H new ATOM 0 HB2 MET A 11 -3.394 2.904 11.696 1.00 0.00 H new ATOM 0 HB3 MET A 11 -1.873 3.044 10.838 1.00 0.00 H new ATOM 0 HG2 MET A 11 -2.293 5.296 11.297 1.00 0.00 H new ATOM 0 HG3 MET A 11 -3.029 5.165 9.712 1.00 0.00 H new ATOM 0 HE1 MET A 11 -5.039 6.047 13.662 1.00 0.00 H new ATOM 0 HE2 MET A 11 -3.706 4.871 13.573 1.00 0.00 H new ATOM 0 HE3 MET A 11 -3.451 6.548 13.036 1.00 0.00 H new ATOM 138 N GLY A 12 -2.422 0.533 9.278 1.00 0.00 N ATOM 139 CA GLY A 12 -2.248 -0.907 9.367 1.00 0.00 C ATOM 140 C GLY A 12 -0.977 -1.351 8.640 1.00 0.00 C ATOM 141 O GLY A 12 -0.425 -0.603 7.834 1.00 0.00 O ATOM 0 H GLY A 12 -1.640 1.032 8.854 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.196 -1.207 10.414 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -3.113 -1.409 8.934 1.00 0.00 H new ATOM 145 N TRP A 13 -0.550 -2.566 8.951 1.00 0.00 N ATOM 146 CA TRP A 13 0.646 -3.119 8.337 1.00 0.00 C ATOM 147 C TRP A 13 0.231 -3.820 7.042 1.00 0.00 C ATOM 148 O TRP A 13 -0.571 -4.752 7.066 1.00 0.00 O ATOM 149 CB TRP A 13 1.383 -4.043 9.308 1.00 0.00 C ATOM 150 CG TRP A 13 2.338 -3.316 10.256 1.00 0.00 C ATOM 151 CD1 TRP A 13 2.041 -2.382 11.169 1.00 0.00 C ATOM 152 CD2 TRP A 13 3.767 -3.502 10.347 1.00 0.00 C ATOM 153 NE1 TRP A 13 3.169 -1.954 11.840 1.00 0.00 N ATOM 154 CE2 TRP A 13 4.251 -2.657 11.324 1.00 0.00 C ATOM 155 CE3 TRP A 13 4.621 -4.357 9.628 1.00 0.00 C ATOM 156 CZ2 TRP A 13 5.606 -2.583 11.671 1.00 0.00 C ATOM 157 CZ3 TRP A 13 5.971 -4.271 9.987 1.00 0.00 C ATOM 158 CH2 TRP A 13 6.475 -3.425 10.968 1.00 0.00 C ATOM 0 H TRP A 13 -1.010 -3.183 9.620 1.00 0.00 H new ATOM 0 HA TRP A 13 1.356 -2.329 8.093 1.00 0.00 H new ATOM 0 HB2 TRP A 13 0.649 -4.592 9.898 1.00 0.00 H new ATOM 0 HB3 TRP A 13 1.947 -4.779 8.735 1.00 0.00 H new ATOM 0 HD1 TRP A 13 1.044 -2.010 11.357 1.00 0.00 H new ATOM 0 HE1 TRP A 13 3.202 -1.251 12.579 1.00 0.00 H new ATOM 0 HE3 TRP A 13 4.264 -5.027 8.860 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 5.961 -1.912 12.440 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 6.671 -4.907 9.465 1.00 0.00 H new ATOM 0 HH2 TRP A 13 7.533 -3.418 11.187 1.00 0.00 H new ATOM 169 N LEU A 14 0.798 -3.345 5.942 1.00 0.00 N ATOM 170 CA LEU A 14 0.497 -3.915 4.640 1.00 0.00 C ATOM 171 C LEU A 14 1.784 -4.462 4.018 1.00 0.00 C ATOM 172 O LEU A 14 2.872 -3.958 4.291 1.00 0.00 O ATOM 173 CB LEU A 14 -0.224 -2.892 3.760 1.00 0.00 C ATOM 174 CG LEU A 14 -1.723 -2.726 4.016 1.00 0.00 C ATOM 175 CD1 LEU A 14 -2.187 -1.311 3.664 1.00 0.00 C ATOM 176 CD2 LEU A 14 -2.528 -3.794 3.273 1.00 0.00 C ATOM 0 H LEU A 14 1.464 -2.572 5.926 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.191 -4.754 4.742 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.257 -1.923 3.895 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.083 -3.176 2.717 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.905 -2.869 5.081 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.256 -1.221 3.855 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.647 -0.588 4.275 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.989 -1.115 2.610 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.590 -3.653 3.472 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.345 -3.708 2.202 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.223 -4.783 3.615 1.00 0.00 H new ATOM 188 N LYS A 15 1.616 -5.486 3.193 1.00 0.00 N ATOM 189 CA LYS A 15 2.751 -6.106 2.531 1.00 0.00 C ATOM 190 C LYS A 15 2.974 -5.433 1.175 1.00 0.00 C ATOM 191 O LYS A 15 2.280 -5.736 0.206 1.00 0.00 O ATOM 192 CB LYS A 15 2.556 -7.621 2.441 1.00 0.00 C ATOM 193 CG LYS A 15 3.468 -8.351 3.428 1.00 0.00 C ATOM 194 CD LYS A 15 3.566 -9.839 3.088 1.00 0.00 C ATOM 195 CE LYS A 15 3.040 -10.701 4.237 1.00 0.00 C ATOM 196 NZ LYS A 15 3.916 -11.874 4.449 1.00 0.00 N ATOM 0 H LYS A 15 0.712 -5.901 2.968 1.00 0.00 H new ATOM 0 HA LYS A 15 3.660 -5.959 3.114 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.516 -7.870 2.649 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.768 -7.959 1.427 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.462 -7.904 3.409 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.084 -8.231 4.441 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.996 -10.047 2.183 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.603 -10.100 2.878 1.00 0.00 H new ATOM 0 HE2 LYS A 15 2.989 -10.108 5.150 1.00 0.00 H new ATOM 0 HE3 LYS A 15 2.026 -11.033 4.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.544 -12.448 5.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.944 -12.448 3.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 4.877 -11.552 4.682 1.00 0.00 H new ATOM 210 N LYS A 16 3.946 -4.533 1.150 1.00 0.00 N ATOM 211 CA LYS A 16 4.270 -3.815 -0.071 1.00 0.00 C ATOM 212 C LYS A 16 5.347 -4.584 -0.839 1.00 0.00 C ATOM 213 O LYS A 16 6.390 -4.922 -0.282 1.00 0.00 O ATOM 214 CB LYS A 16 4.654 -2.368 0.244 1.00 0.00 C ATOM 215 CG LYS A 16 5.148 -1.646 -1.011 1.00 0.00 C ATOM 216 CD LYS A 16 6.090 -0.497 -0.647 1.00 0.00 C ATOM 217 CE LYS A 16 5.619 0.818 -1.272 1.00 0.00 C ATOM 218 NZ LYS A 16 6.639 1.874 -1.090 1.00 0.00 N ATOM 0 H LYS A 16 4.520 -4.285 1.956 1.00 0.00 H new ATOM 0 HA LYS A 16 3.397 -3.754 -0.720 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.793 -1.841 0.656 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.432 -2.352 1.007 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.664 -2.352 -1.662 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.297 -1.260 -1.571 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.139 -0.392 0.437 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.099 -0.726 -0.991 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.423 0.673 -2.334 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.680 1.129 -0.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.511 2.609 -1.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.536 2.297 -0.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.588 1.459 -1.181 1.00 0.00 H new ATOM 232 N GLN A 17 5.057 -4.837 -2.107 1.00 0.00 N ATOM 233 CA GLN A 17 5.988 -5.560 -2.957 1.00 0.00 C ATOM 234 C GLN A 17 7.327 -4.822 -3.026 1.00 0.00 C ATOM 235 O GLN A 17 7.377 -3.654 -3.407 1.00 0.00 O ATOM 236 CB GLN A 17 5.405 -5.767 -4.356 1.00 0.00 C ATOM 237 CG GLN A 17 5.953 -7.045 -4.995 1.00 0.00 C ATOM 238 CD GLN A 17 4.903 -7.703 -5.892 1.00 0.00 C ATOM 239 OE1 GLN A 17 4.555 -7.207 -6.951 1.00 0.00 O ATOM 240 NE2 GLN A 17 4.420 -8.846 -5.412 1.00 0.00 N ATOM 0 H GLN A 17 4.191 -4.554 -2.566 1.00 0.00 H new ATOM 0 HA GLN A 17 6.159 -6.544 -2.520 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.318 -5.823 -4.296 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.646 -4.910 -4.985 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.842 -6.811 -5.581 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.260 -7.743 -4.216 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.755 -9.206 -4.518 1.00 0.00 H new ATOM 0 HE22 GLN A 17 3.715 -9.363 -5.938 1.00 0.00 H new ATOM 341 N ASN A 23 9.214 -9.999 -3.737 1.00 0.00 N ATOM 342 CA ASN A 23 8.962 -10.367 -2.354 1.00 0.00 C ATOM 343 C ASN A 23 7.927 -9.412 -1.757 1.00 0.00 C ATOM 344 O ASN A 23 7.573 -8.409 -2.376 1.00 0.00 O ATOM 345 CB ASN A 23 10.237 -10.267 -1.515 1.00 0.00 C ATOM 346 CG ASN A 23 10.084 -11.018 -0.192 1.00 0.00 C ATOM 347 OD1 ASN A 23 10.034 -10.437 0.880 1.00 0.00 O ATOM 348 ND2 ASN A 23 10.012 -12.339 -0.325 1.00 0.00 N ATOM 0 HA ASN A 23 8.602 -11.396 -2.340 1.00 0.00 H new ATOM 0 HB2 ASN A 23 11.078 -10.677 -2.075 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.466 -9.220 -1.318 1.00 0.00 H new ATOM 0 HD21 ASN A 23 9.909 -12.930 0.500 1.00 0.00 H new ATOM 0 HD22 ASN A 23 10.060 -12.762 -1.252 1.00 0.00 H new ATOM 355 N TRP A 24 7.470 -9.756 -0.562 1.00 0.00 N ATOM 356 CA TRP A 24 6.483 -8.941 0.125 1.00 0.00 C ATOM 357 C TRP A 24 7.118 -8.416 1.415 1.00 0.00 C ATOM 358 O TRP A 24 7.576 -9.196 2.248 1.00 0.00 O ATOM 359 CB TRP A 24 5.196 -9.730 0.372 1.00 0.00 C ATOM 360 CG TRP A 24 4.494 -10.192 -0.908 1.00 0.00 C ATOM 361 CD1 TRP A 24 4.601 -11.376 -1.526 1.00 0.00 C ATOM 362 CD2 TRP A 24 3.568 -9.424 -1.705 1.00 0.00 C ATOM 363 NE1 TRP A 24 3.815 -11.428 -2.658 1.00 0.00 N ATOM 364 CE2 TRP A 24 3.167 -10.203 -2.771 1.00 0.00 C ATOM 365 CE3 TRP A 24 3.086 -8.115 -1.531 1.00 0.00 C ATOM 366 CZ2 TRP A 24 2.264 -9.762 -3.746 1.00 0.00 C ATOM 367 CZ3 TRP A 24 2.185 -7.689 -2.515 1.00 0.00 C ATOM 368 CH2 TRP A 24 1.771 -8.461 -3.594 1.00 0.00 C ATOM 0 H TRP A 24 7.765 -10.588 -0.052 1.00 0.00 H new ATOM 0 HA TRP A 24 6.190 -8.091 -0.491 1.00 0.00 H new ATOM 0 HB2 TRP A 24 5.428 -10.603 0.982 1.00 0.00 H new ATOM 0 HB3 TRP A 24 4.508 -9.112 0.949 1.00 0.00 H new ATOM 0 HD1 TRP A 24 5.224 -12.188 -1.181 1.00 0.00 H new ATOM 0 HE1 TRP A 24 3.725 -12.219 -3.295 1.00 0.00 H new ATOM 0 HE3 TRP A 24 3.386 -7.488 -0.705 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 1.964 -10.392 -4.571 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 1.784 -6.690 -2.429 1.00 0.00 H new ATOM 0 HH2 TRP A 24 1.072 -8.059 -4.312 1.00 0.00 H new ATOM 379 N GLN A 25 7.125 -7.097 1.539 1.00 0.00 N ATOM 380 CA GLN A 25 7.696 -6.458 2.713 1.00 0.00 C ATOM 381 C GLN A 25 6.587 -5.895 3.603 1.00 0.00 C ATOM 382 O GLN A 25 5.895 -4.953 3.218 1.00 0.00 O ATOM 383 CB GLN A 25 8.688 -5.364 2.313 1.00 0.00 C ATOM 384 CG GLN A 25 9.646 -5.046 3.463 1.00 0.00 C ATOM 385 CD GLN A 25 11.077 -5.459 3.114 1.00 0.00 C ATOM 386 OE1 GLN A 25 11.903 -4.654 2.716 1.00 0.00 O ATOM 387 NE2 GLN A 25 11.324 -6.755 3.286 1.00 0.00 N ATOM 0 H GLN A 25 6.744 -6.453 0.846 1.00 0.00 H new ATOM 0 HA GLN A 25 8.244 -7.209 3.282 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.256 -5.685 1.440 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.145 -4.463 2.027 1.00 0.00 H new ATOM 0 HG2 GLN A 25 9.615 -3.979 3.682 1.00 0.00 H new ATOM 0 HG3 GLN A 25 9.323 -5.566 4.365 1.00 0.00 H new ATOM 0 HE21 GLN A 25 10.587 -7.374 3.622 1.00 0.00 H new ATOM 0 HE22 GLN A 25 12.251 -7.129 3.081 1.00 0.00 H new ATOM 396 N GLN A 26 6.452 -6.494 4.777 1.00 0.00 N ATOM 397 CA GLN A 26 5.438 -6.064 5.725 1.00 0.00 C ATOM 398 C GLN A 26 5.817 -4.710 6.329 1.00 0.00 C ATOM 399 O GLN A 26 6.609 -4.645 7.268 1.00 0.00 O ATOM 400 CB GLN A 26 5.230 -7.113 6.818 1.00 0.00 C ATOM 401 CG GLN A 26 3.766 -7.161 7.260 1.00 0.00 C ATOM 402 CD GLN A 26 3.631 -7.802 8.643 1.00 0.00 C ATOM 403 OE1 GLN A 26 4.604 -8.105 9.313 1.00 0.00 O ATOM 404 NE2 GLN A 26 2.373 -7.991 9.031 1.00 0.00 N ATOM 0 H GLN A 26 7.028 -7.274 5.093 1.00 0.00 H new ATOM 0 HA GLN A 26 4.494 -5.951 5.192 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.535 -8.093 6.450 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.865 -6.883 7.674 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.356 -6.151 7.282 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.182 -7.727 6.534 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.604 -7.714 8.421 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.177 -8.413 9.939 1.00 0.00 H new ATOM 413 N ARG A 27 5.234 -3.662 5.765 1.00 0.00 N ATOM 414 CA ARG A 27 5.501 -2.314 6.237 1.00 0.00 C ATOM 415 C ARG A 27 4.244 -1.714 6.870 1.00 0.00 C ATOM 416 O ARG A 27 3.151 -2.259 6.723 1.00 0.00 O ATOM 417 CB ARG A 27 5.967 -1.412 5.092 1.00 0.00 C ATOM 418 CG ARG A 27 7.187 -0.586 5.506 1.00 0.00 C ATOM 419 CD ARG A 27 8.415 -0.970 4.679 1.00 0.00 C ATOM 420 NE ARG A 27 8.306 -0.402 3.316 1.00 0.00 N ATOM 421 CZ ARG A 27 9.304 -0.398 2.422 1.00 0.00 C ATOM 422 NH1 ARG A 27 10.491 -0.931 2.740 1.00 0.00 N ATOM 423 NH2 ARG A 27 9.114 0.139 1.209 1.00 0.00 N ATOM 0 H ARG A 27 4.578 -3.719 4.986 1.00 0.00 H new ATOM 0 HA ARG A 27 6.294 -2.375 6.983 1.00 0.00 H new ATOM 0 HB2 ARG A 27 6.214 -2.021 4.222 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.156 -0.746 4.796 1.00 0.00 H new ATOM 0 HG2 ARG A 27 6.974 0.475 5.376 1.00 0.00 H new ATOM 0 HG3 ARG A 27 7.394 -0.742 6.565 1.00 0.00 H new ATOM 0 HD2 ARG A 27 9.319 -0.602 5.164 1.00 0.00 H new ATOM 0 HD3 ARG A 27 8.502 -2.055 4.624 1.00 0.00 H new ATOM 0 HE ARG A 27 7.416 0.012 3.040 1.00 0.00 H new ATOM 0 HH11 ARG A 27 10.635 -1.340 3.663 1.00 0.00 H new ATOM 0 HH12 ARG A 27 11.250 -0.928 2.059 1.00 0.00 H new ATOM 0 HH21 ARG A 27 8.210 0.544 0.967 1.00 0.00 H new ATOM 0 HH22 ARG A 27 9.873 0.142 0.528 1.00 0.00 H new ATOM 437 N TYR A 28 4.441 -0.601 7.560 1.00 0.00 N ATOM 438 CA TYR A 28 3.337 0.078 8.216 1.00 0.00 C ATOM 439 C TYR A 28 2.815 1.232 7.357 1.00 0.00 C ATOM 440 O TYR A 28 3.539 2.192 7.095 1.00 0.00 O ATOM 441 CB TYR A 28 3.904 0.644 9.520 1.00 0.00 C ATOM 442 CG TYR A 28 2.869 1.361 10.389 1.00 0.00 C ATOM 443 CD1 TYR A 28 1.530 1.055 10.261 1.00 0.00 C ATOM 444 CD2 TYR A 28 3.276 2.313 11.302 1.00 0.00 C ATOM 445 CE1 TYR A 28 0.556 1.729 11.080 1.00 0.00 C ATOM 446 CE2 TYR A 28 2.302 2.988 12.121 1.00 0.00 C ATOM 447 CZ TYR A 28 0.990 2.663 11.969 1.00 0.00 C ATOM 448 OH TYR A 28 0.070 3.300 12.742 1.00 0.00 O ATOM 0 H TYR A 28 5.349 -0.152 7.679 1.00 0.00 H new ATOM 0 HA TYR A 28 2.509 -0.611 8.385 1.00 0.00 H new ATOM 0 HB2 TYR A 28 4.346 -0.170 10.096 1.00 0.00 H new ATOM 0 HB3 TYR A 28 4.709 1.340 9.283 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.212 0.310 9.547 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.325 2.552 11.402 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -0.495 1.498 10.991 1.00 0.00 H new ATOM 0 HE2 TYR A 28 2.606 3.735 12.839 1.00 0.00 H new ATOM 0 HH TYR A 28 0.523 3.939 13.331 1.00 0.00 H new ATOM 458 N PHE A 29 1.564 1.101 6.944 1.00 0.00 N ATOM 459 CA PHE A 29 0.937 2.121 6.120 1.00 0.00 C ATOM 460 C PHE A 29 -0.037 2.967 6.942 1.00 0.00 C ATOM 461 O PHE A 29 -0.818 2.434 7.728 1.00 0.00 O ATOM 462 CB PHE A 29 0.159 1.393 5.021 1.00 0.00 C ATOM 463 CG PHE A 29 1.008 1.013 3.806 1.00 0.00 C ATOM 464 CD1 PHE A 29 1.917 0.005 3.899 1.00 0.00 C ATOM 465 CD2 PHE A 29 0.854 1.683 2.633 1.00 0.00 C ATOM 466 CE1 PHE A 29 2.704 -0.347 2.771 1.00 0.00 C ATOM 467 CE2 PHE A 29 1.641 1.331 1.505 1.00 0.00 C ATOM 468 CZ PHE A 29 2.550 0.323 1.598 1.00 0.00 C ATOM 0 H PHE A 29 0.967 0.304 7.164 1.00 0.00 H new ATOM 0 HA PHE A 29 1.697 2.786 5.709 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.282 0.489 5.440 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.665 2.027 4.692 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.040 -0.527 4.831 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.133 2.483 2.559 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.425 -1.147 2.845 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.518 1.863 0.573 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.149 0.055 0.740 1.00 0.00 H new ATOM 478 N VAL A 30 0.041 4.273 6.732 1.00 0.00 N ATOM 479 CA VAL A 30 -0.824 5.199 7.443 1.00 0.00 C ATOM 480 C VAL A 30 -1.497 6.136 6.439 1.00 0.00 C ATOM 481 O VAL A 30 -0.847 6.644 5.526 1.00 0.00 O ATOM 482 CB VAL A 30 -0.024 5.944 8.514 1.00 0.00 C ATOM 483 CG1 VAL A 30 -0.780 7.183 8.999 1.00 0.00 C ATOM 484 CG2 VAL A 30 0.321 5.020 9.683 1.00 0.00 C ATOM 0 H VAL A 30 0.690 4.712 6.079 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.615 4.660 7.964 1.00 0.00 H new ATOM 0 HB VAL A 30 0.911 6.276 8.063 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.190 7.695 9.760 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.952 7.856 8.159 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.737 6.882 9.424 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.889 5.575 10.430 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.598 4.643 10.133 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.918 4.183 9.321 1.00 0.00 H new ATOM 494 N LEU A 31 -2.791 6.337 6.640 1.00 0.00 N ATOM 495 CA LEU A 31 -3.560 7.204 5.763 1.00 0.00 C ATOM 496 C LEU A 31 -3.749 8.564 6.437 1.00 0.00 C ATOM 497 O LEU A 31 -4.494 8.682 7.409 1.00 0.00 O ATOM 498 CB LEU A 31 -4.872 6.530 5.359 1.00 0.00 C ATOM 499 CG LEU A 31 -5.260 6.648 3.884 1.00 0.00 C ATOM 500 CD1 LEU A 31 -6.185 5.502 3.467 1.00 0.00 C ATOM 501 CD2 LEU A 31 -5.874 8.017 3.586 1.00 0.00 C ATOM 0 H LEU A 31 -3.327 5.914 7.398 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.020 7.381 4.833 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.807 5.472 5.614 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.676 6.954 5.961 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.353 6.565 3.285 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.446 5.610 2.414 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.676 4.550 3.619 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.093 5.529 4.070 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.141 8.074 2.531 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.768 8.155 4.194 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.151 8.799 3.820 1.00 0.00 H new ATOM 513 N ARG A 32 -3.062 9.559 5.894 1.00 0.00 N ATOM 514 CA ARG A 32 -3.145 10.907 6.431 1.00 0.00 C ATOM 515 C ARG A 32 -3.624 11.879 5.351 1.00 0.00 C ATOM 516 O ARG A 32 -2.948 12.073 4.341 1.00 0.00 O ATOM 517 CB ARG A 32 -1.788 11.373 6.962 1.00 0.00 C ATOM 518 CG ARG A 32 -1.812 11.503 8.486 1.00 0.00 C ATOM 519 CD ARG A 32 -0.399 11.411 9.066 1.00 0.00 C ATOM 520 NE ARG A 32 -0.060 12.664 9.776 1.00 0.00 N ATOM 521 CZ ARG A 32 1.043 12.833 10.517 1.00 0.00 C ATOM 522 NH1 ARG A 32 1.921 11.830 10.650 1.00 0.00 N ATOM 523 NH2 ARG A 32 1.269 14.006 11.125 1.00 0.00 N ATOM 0 H ARG A 32 -2.445 9.458 5.088 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.859 10.893 7.255 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.015 10.664 6.666 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.529 12.333 6.515 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.263 12.455 8.766 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -2.436 10.717 8.912 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.333 10.566 9.751 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.320 11.230 8.267 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.707 13.449 9.696 1.00 0.00 H new ATOM 0 HH11 ARG A 32 1.750 10.937 10.187 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.761 11.959 11.214 1.00 0.00 H new ATOM 0 HH21 ARG A 32 0.601 14.770 11.023 1.00 0.00 H new ATOM 0 HH22 ARG A 32 2.109 14.134 11.689 1.00 0.00 H new ATOM 537 N ALA A 33 -4.786 12.465 5.600 1.00 0.00 N ATOM 538 CA ALA A 33 -5.363 13.412 4.661 1.00 0.00 C ATOM 539 C ALA A 33 -5.539 12.734 3.301 1.00 0.00 C ATOM 540 O ALA A 33 -5.858 11.548 3.232 1.00 0.00 O ATOM 541 CB ALA A 33 -4.476 14.656 4.581 1.00 0.00 C ATOM 0 H ALA A 33 -5.344 12.302 6.439 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.348 13.734 4.998 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.909 15.367 3.877 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -4.407 15.118 5.566 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -3.480 14.371 4.243 1.00 0.00 H new ATOM 547 N GLN A 34 -5.323 13.515 2.253 1.00 0.00 N ATOM 548 CA GLN A 34 -5.453 13.004 0.899 1.00 0.00 C ATOM 549 C GLN A 34 -4.106 12.484 0.396 1.00 0.00 C ATOM 550 O GLN A 34 -3.675 12.830 -0.704 1.00 0.00 O ATOM 551 CB GLN A 34 -6.013 14.075 -0.039 1.00 0.00 C ATOM 552 CG GLN A 34 -7.296 14.685 0.529 1.00 0.00 C ATOM 553 CD GLN A 34 -7.537 16.085 -0.040 1.00 0.00 C ATOM 554 OE1 GLN A 34 -8.366 16.295 -0.910 1.00 0.00 O ATOM 555 NE2 GLN A 34 -6.767 17.027 0.497 1.00 0.00 N ATOM 0 H GLN A 34 -5.059 14.498 2.314 1.00 0.00 H new ATOM 0 HA GLN A 34 -6.159 12.173 0.911 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.269 14.858 -0.188 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.216 13.637 -1.016 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -8.144 14.042 0.293 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -7.228 14.737 1.616 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -6.093 16.782 1.222 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -6.851 17.994 0.184 1.00 0.00 H new ATOM 564 N GLN A 35 -3.477 11.663 1.223 1.00 0.00 N ATOM 565 CA GLN A 35 -2.187 11.092 0.876 1.00 0.00 C ATOM 566 C GLN A 35 -1.959 9.789 1.644 1.00 0.00 C ATOM 567 O GLN A 35 -2.389 9.655 2.788 1.00 0.00 O ATOM 568 CB GLN A 35 -1.057 12.089 1.140 1.00 0.00 C ATOM 569 CG GLN A 35 -0.719 12.882 -0.124 1.00 0.00 C ATOM 570 CD GLN A 35 0.494 13.787 0.104 1.00 0.00 C ATOM 571 OE1 GLN A 35 1.623 13.444 -0.203 1.00 0.00 O ATOM 572 NE2 GLN A 35 0.197 14.958 0.660 1.00 0.00 N ATOM 0 H GLN A 35 -3.837 11.379 2.134 1.00 0.00 H new ATOM 0 HA GLN A 35 -2.187 10.867 -0.190 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -1.350 12.774 1.936 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -0.171 11.557 1.487 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -0.515 12.195 -0.945 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -1.577 13.486 -0.419 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.771 15.182 0.892 1.00 0.00 H new ATOM 0 HE22 GLN A 35 0.937 15.633 0.854 1.00 0.00 H new ATOM 581 N LEU A 36 -1.283 8.860 0.983 1.00 0.00 N ATOM 582 CA LEU A 36 -0.992 7.572 1.589 1.00 0.00 C ATOM 583 C LEU A 36 0.495 7.503 1.941 1.00 0.00 C ATOM 584 O LEU A 36 1.350 7.705 1.081 1.00 0.00 O ATOM 585 CB LEU A 36 -1.463 6.434 0.682 1.00 0.00 C ATOM 586 CG LEU A 36 -1.200 5.016 1.192 1.00 0.00 C ATOM 587 CD1 LEU A 36 0.302 4.748 1.315 1.00 0.00 C ATOM 588 CD2 LEU A 36 -1.937 4.761 2.508 1.00 0.00 C ATOM 0 H LEU A 36 -0.929 8.974 0.033 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.546 7.456 2.520 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.535 6.547 0.518 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.979 6.545 -0.288 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.595 4.311 0.460 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.462 3.733 1.679 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.773 4.861 0.339 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.742 5.458 2.015 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.733 3.746 2.848 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.595 5.472 3.260 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.009 4.883 2.354 1.00 0.00 H new ATOM 600 N TYR A 37 0.758 7.216 3.208 1.00 0.00 N ATOM 601 CA TYR A 37 2.127 7.117 3.684 1.00 0.00 C ATOM 602 C TYR A 37 2.449 5.691 4.137 1.00 0.00 C ATOM 603 O TYR A 37 1.545 4.882 4.339 1.00 0.00 O ATOM 604 CB TYR A 37 2.224 8.056 4.888 1.00 0.00 C ATOM 605 CG TYR A 37 1.853 9.507 4.577 1.00 0.00 C ATOM 606 CD1 TYR A 37 2.807 10.370 4.076 1.00 0.00 C ATOM 607 CD2 TYR A 37 0.566 9.954 4.797 1.00 0.00 C ATOM 608 CE1 TYR A 37 2.458 11.736 3.782 1.00 0.00 C ATOM 609 CE2 TYR A 37 0.217 11.320 4.504 1.00 0.00 C ATOM 610 CZ TYR A 37 1.181 12.144 4.011 1.00 0.00 C ATOM 611 OH TYR A 37 0.852 13.434 3.734 1.00 0.00 O ATOM 0 H TYR A 37 0.046 7.049 3.919 1.00 0.00 H new ATOM 0 HA TYR A 37 2.828 7.379 2.892 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.570 7.686 5.678 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.242 8.027 5.277 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.815 10.021 3.905 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.180 9.279 5.189 1.00 0.00 H new ATOM 0 HE1 TYR A 37 3.194 12.421 3.388 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.787 11.682 4.672 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.093 13.583 3.946 1.00 0.00 H new ATOM 621 N TYR A 38 3.739 5.428 4.283 1.00 0.00 N ATOM 622 CA TYR A 38 4.191 4.114 4.708 1.00 0.00 C ATOM 623 C TYR A 38 5.604 4.183 5.291 1.00 0.00 C ATOM 624 O TYR A 38 6.522 4.689 4.647 1.00 0.00 O ATOM 625 CB TYR A 38 4.214 3.248 3.448 1.00 0.00 C ATOM 626 CG TYR A 38 5.542 3.289 2.688 1.00 0.00 C ATOM 627 CD1 TYR A 38 6.603 2.515 3.112 1.00 0.00 C ATOM 628 CD2 TYR A 38 5.678 4.099 1.580 1.00 0.00 C ATOM 629 CE1 TYR A 38 7.853 2.554 2.397 1.00 0.00 C ATOM 630 CE2 TYR A 38 6.927 4.138 0.865 1.00 0.00 C ATOM 631 CZ TYR A 38 7.953 3.363 1.309 1.00 0.00 C ATOM 632 OH TYR A 38 9.133 3.399 0.634 1.00 0.00 O ATOM 0 H TYR A 38 4.486 6.102 4.115 1.00 0.00 H new ATOM 0 HA TYR A 38 3.533 3.713 5.479 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.997 2.216 3.725 1.00 0.00 H new ATOM 0 HB3 TYR A 38 3.415 3.574 2.781 1.00 0.00 H new ATOM 0 HD1 TYR A 38 6.496 1.880 3.979 1.00 0.00 H new ATOM 0 HD2 TYR A 38 4.847 4.704 1.249 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.692 1.954 2.718 1.00 0.00 H new ATOM 0 HE2 TYR A 38 7.047 4.768 -0.004 1.00 0.00 H new ATOM 0 HH TYR A 38 9.059 4.019 -0.121 1.00 0.00 H new ATOM 642 N TYR A 39 5.735 3.666 6.504 1.00 0.00 N ATOM 643 CA TYR A 39 7.021 3.662 7.181 1.00 0.00 C ATOM 644 C TYR A 39 7.492 2.233 7.455 1.00 0.00 C ATOM 645 O TYR A 39 6.681 1.311 7.528 1.00 0.00 O ATOM 646 CB TYR A 39 6.797 4.377 8.516 1.00 0.00 C ATOM 647 CG TYR A 39 6.013 5.685 8.397 1.00 0.00 C ATOM 648 CD1 TYR A 39 4.642 5.657 8.244 1.00 0.00 C ATOM 649 CD2 TYR A 39 6.678 6.894 8.443 1.00 0.00 C ATOM 650 CE1 TYR A 39 3.905 6.889 8.132 1.00 0.00 C ATOM 651 CE2 TYR A 39 5.940 8.126 8.332 1.00 0.00 C ATOM 652 CZ TYR A 39 4.590 8.062 8.182 1.00 0.00 C ATOM 653 OH TYR A 39 3.894 9.226 8.076 1.00 0.00 O ATOM 0 H TYR A 39 4.972 3.247 7.035 1.00 0.00 H new ATOM 0 HA TYR A 39 7.779 4.149 6.567 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.265 3.706 9.191 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.765 4.586 8.972 1.00 0.00 H new ATOM 0 HD1 TYR A 39 4.122 4.711 8.208 1.00 0.00 H new ATOM 0 HD2 TYR A 39 7.751 6.916 8.562 1.00 0.00 H new ATOM 0 HE1 TYR A 39 2.832 6.881 8.011 1.00 0.00 H new ATOM 0 HE2 TYR A 39 6.447 9.079 8.367 1.00 0.00 H new ATOM 0 HH TYR A 39 4.513 9.984 8.129 1.00 0.00 H new ATOM 789 N GLN A 48 8.413 7.610 4.320 1.00 0.00 N ATOM 790 CA GLN A 48 9.289 7.131 3.265 1.00 0.00 C ATOM 791 C GLN A 48 8.776 7.592 1.899 1.00 0.00 C ATOM 792 O GLN A 48 9.514 8.206 1.130 1.00 0.00 O ATOM 793 CB GLN A 48 9.425 5.608 3.314 1.00 0.00 C ATOM 794 CG GLN A 48 10.328 5.175 4.471 1.00 0.00 C ATOM 795 CD GLN A 48 11.771 5.627 4.238 1.00 0.00 C ATOM 796 OE1 GLN A 48 12.176 5.956 3.136 1.00 0.00 O ATOM 797 NE2 GLN A 48 12.522 5.625 5.336 1.00 0.00 N ATOM 0 HA GLN A 48 10.280 7.556 3.422 1.00 0.00 H new ATOM 0 HB2 GLN A 48 8.440 5.155 3.427 1.00 0.00 H new ATOM 0 HB3 GLN A 48 9.836 5.246 2.372 1.00 0.00 H new ATOM 0 HG2 GLN A 48 9.957 5.598 5.405 1.00 0.00 H new ATOM 0 HG3 GLN A 48 10.295 4.091 4.577 1.00 0.00 H new ATOM 0 HE21 GLN A 48 12.120 5.338 6.228 1.00 0.00 H new ATOM 0 HE22 GLN A 48 13.500 5.911 5.286 1.00 0.00 H new ATOM 806 N GLY A 49 7.516 7.277 1.639 1.00 0.00 N ATOM 807 CA GLY A 49 6.896 7.651 0.380 1.00 0.00 C ATOM 808 C GLY A 49 5.466 8.151 0.599 1.00 0.00 C ATOM 809 O GLY A 49 4.859 7.871 1.631 1.00 0.00 O ATOM 0 H GLY A 49 6.907 6.767 2.279 1.00 0.00 H new ATOM 0 HA2 GLY A 49 7.487 8.429 -0.103 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.886 6.794 -0.293 1.00 0.00 H new ATOM 813 N CYS A 50 4.971 8.882 -0.389 1.00 0.00 N ATOM 814 CA CYS A 50 3.625 9.424 -0.316 1.00 0.00 C ATOM 815 C CYS A 50 2.946 9.207 -1.670 1.00 0.00 C ATOM 816 O CYS A 50 3.536 9.479 -2.715 1.00 0.00 O ATOM 817 CB CYS A 50 3.629 10.899 0.090 1.00 0.00 C ATOM 818 SG CYS A 50 4.330 11.918 -1.259 1.00 0.00 S ATOM 0 H CYS A 50 5.478 9.111 -1.244 1.00 0.00 H new ATOM 0 HA CYS A 50 3.063 8.904 0.460 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.613 11.226 0.314 1.00 0.00 H new ATOM 0 HB3 CYS A 50 4.214 11.033 1.000 1.00 0.00 H new ATOM 0 HG CYS A 50 4.257 11.264 -2.380 1.00 0.00 H new ATOM 824 N MET A 51 1.716 8.719 -1.609 1.00 0.00 N ATOM 825 CA MET A 51 0.951 8.462 -2.817 1.00 0.00 C ATOM 826 C MET A 51 -0.326 9.305 -2.847 1.00 0.00 C ATOM 827 O MET A 51 -1.134 9.246 -1.922 1.00 0.00 O ATOM 828 CB MET A 51 0.586 6.978 -2.885 1.00 0.00 C ATOM 829 CG MET A 51 0.538 6.490 -4.334 1.00 0.00 C ATOM 830 SD MET A 51 2.142 5.882 -4.826 1.00 0.00 S ATOM 831 CE MET A 51 1.663 4.773 -6.141 1.00 0.00 C ATOM 0 H MET A 51 1.230 8.495 -0.741 1.00 0.00 H new ATOM 0 HA MET A 51 1.563 8.734 -3.677 1.00 0.00 H new ATOM 0 HB2 MET A 51 1.317 6.394 -2.325 1.00 0.00 H new ATOM 0 HB3 MET A 51 -0.382 6.816 -2.411 1.00 0.00 H new ATOM 0 HG2 MET A 51 -0.206 5.700 -4.436 1.00 0.00 H new ATOM 0 HG3 MET A 51 0.231 7.304 -4.991 1.00 0.00 H new ATOM 0 HE1 MET A 51 2.502 4.125 -6.395 1.00 0.00 H new ATOM 0 HE2 MET A 51 0.820 4.164 -5.814 1.00 0.00 H new ATOM 0 HE3 MET A 51 1.374 5.352 -7.018 1.00 0.00 H new ATOM 841 N TYR A 52 -0.467 10.069 -3.920 1.00 0.00 N ATOM 842 CA TYR A 52 -1.632 10.923 -4.082 1.00 0.00 C ATOM 843 C TYR A 52 -2.902 10.089 -4.260 1.00 0.00 C ATOM 844 O TYR A 52 -3.106 9.478 -5.308 1.00 0.00 O ATOM 845 CB TYR A 52 -1.386 11.733 -5.356 1.00 0.00 C ATOM 846 CG TYR A 52 -2.093 13.090 -5.377 1.00 0.00 C ATOM 847 CD1 TYR A 52 -2.131 13.866 -4.236 1.00 0.00 C ATOM 848 CD2 TYR A 52 -2.693 13.538 -6.536 1.00 0.00 C ATOM 849 CE1 TYR A 52 -2.797 15.142 -4.256 1.00 0.00 C ATOM 850 CE2 TYR A 52 -3.359 14.814 -6.556 1.00 0.00 C ATOM 851 CZ TYR A 52 -3.378 15.553 -5.414 1.00 0.00 C ATOM 852 OH TYR A 52 -4.007 16.759 -5.433 1.00 0.00 O ATOM 0 H TYR A 52 0.206 10.115 -4.686 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.770 11.555 -3.205 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.314 11.892 -5.472 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.717 11.149 -6.215 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -1.661 13.516 -3.329 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.663 12.931 -7.429 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -2.834 15.759 -3.370 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -3.833 15.176 -7.457 1.00 0.00 H new ATOM 0 HH TYR A 52 -4.374 16.922 -6.327 1.00 0.00 H new ATOM 862 N LEU A 53 -3.723 10.090 -3.220 1.00 0.00 N ATOM 863 CA LEU A 53 -4.968 9.341 -3.249 1.00 0.00 C ATOM 864 C LEU A 53 -5.876 9.911 -4.339 1.00 0.00 C ATOM 865 O LEU A 53 -6.498 9.161 -5.090 1.00 0.00 O ATOM 866 CB LEU A 53 -5.611 9.319 -1.861 1.00 0.00 C ATOM 867 CG LEU A 53 -4.918 8.446 -0.813 1.00 0.00 C ATOM 868 CD1 LEU A 53 -5.885 8.065 0.310 1.00 0.00 C ATOM 869 CD2 LEU A 53 -4.278 7.217 -1.461 1.00 0.00 C ATOM 0 H LEU A 53 -3.550 10.597 -2.352 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.780 8.298 -3.505 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.650 10.341 -1.485 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.641 8.978 -1.965 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.114 9.027 -0.361 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.367 7.445 1.041 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.252 8.969 0.796 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.726 7.510 -0.106 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.792 6.613 -0.695 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.047 6.625 -1.956 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.538 7.536 -2.195 1.00 0.00 H new ATOM 881 N PRO A 54 -5.926 11.269 -4.394 1.00 0.00 N ATOM 882 CA PRO A 54 -6.748 11.949 -5.381 1.00 0.00 C ATOM 883 C PRO A 54 -6.107 11.882 -6.769 1.00 0.00 C ATOM 884 O PRO A 54 -5.356 12.776 -7.154 1.00 0.00 O ATOM 885 CB PRO A 54 -6.891 13.370 -4.861 1.00 0.00 C ATOM 886 CG PRO A 54 -5.769 13.561 -3.854 1.00 0.00 C ATOM 887 CD PRO A 54 -5.202 12.190 -3.522 1.00 0.00 C ATOM 0 HA PRO A 54 -7.726 11.484 -5.506 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -6.814 14.093 -5.673 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -7.864 13.519 -4.394 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.992 14.206 -4.266 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -6.143 14.048 -2.953 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -4.129 12.150 -3.707 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.354 11.942 -2.471 1.00 0.00 H new ATOM 895 N GLY A 55 -6.429 10.812 -7.482 1.00 0.00 N ATOM 896 CA GLY A 55 -5.894 10.616 -8.819 1.00 0.00 C ATOM 897 C GLY A 55 -5.316 9.208 -8.978 1.00 0.00 C ATOM 898 O GLY A 55 -5.188 8.708 -10.094 1.00 0.00 O ATOM 0 H GLY A 55 -7.053 10.073 -7.159 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.681 10.775 -9.556 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.118 11.356 -9.016 1.00 0.00 H new ATOM 902 N CYS A 56 -4.983 8.609 -7.844 1.00 0.00 N ATOM 903 CA CYS A 56 -4.421 7.269 -7.843 1.00 0.00 C ATOM 904 C CYS A 56 -5.505 6.294 -8.310 1.00 0.00 C ATOM 905 O CYS A 56 -6.695 6.583 -8.196 1.00 0.00 O ATOM 906 CB CYS A 56 -3.866 6.889 -6.469 1.00 0.00 C ATOM 907 SG CYS A 56 -2.038 6.967 -6.490 1.00 0.00 S ATOM 0 H CYS A 56 -5.092 9.027 -6.920 1.00 0.00 H new ATOM 0 HA CYS A 56 -3.574 7.226 -8.528 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -4.258 7.565 -5.709 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -4.192 5.884 -6.201 1.00 0.00 H new ATOM 0 HG CYS A 56 -1.643 8.051 -5.891 1.00 0.00 H new ATOM 913 N THR A 57 -5.053 5.160 -8.825 1.00 0.00 N ATOM 914 CA THR A 57 -5.969 4.141 -9.309 1.00 0.00 C ATOM 915 C THR A 57 -5.786 2.842 -8.522 1.00 0.00 C ATOM 916 O THR A 57 -4.722 2.226 -8.573 1.00 0.00 O ATOM 917 CB THR A 57 -5.742 3.978 -10.813 1.00 0.00 C ATOM 918 OG1 THR A 57 -6.183 5.214 -11.367 1.00 0.00 O ATOM 919 CG2 THR A 57 -6.673 2.936 -11.437 1.00 0.00 C ATOM 0 H THR A 57 -4.065 4.924 -8.918 1.00 0.00 H new ATOM 0 HA THR A 57 -7.007 4.435 -9.152 1.00 0.00 H new ATOM 0 HB THR A 57 -4.706 3.693 -10.994 1.00 0.00 H new ATOM 0 HG1 THR A 57 -6.069 5.195 -12.340 1.00 0.00 H new ATOM 0 HG21 THR A 57 -6.470 2.860 -12.505 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.504 1.968 -10.966 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.710 3.237 -11.285 1.00 0.00 H new ATOM 927 N ILE A 58 -6.839 2.464 -7.813 1.00 0.00 N ATOM 928 CA ILE A 58 -6.808 1.249 -7.016 1.00 0.00 C ATOM 929 C ILE A 58 -7.304 0.076 -7.864 1.00 0.00 C ATOM 930 O ILE A 58 -8.499 -0.039 -8.131 1.00 0.00 O ATOM 931 CB ILE A 58 -7.589 1.441 -5.715 1.00 0.00 C ATOM 932 CG1 ILE A 58 -6.836 2.366 -4.756 1.00 0.00 C ATOM 933 CG2 ILE A 58 -7.920 0.094 -5.070 1.00 0.00 C ATOM 934 CD1 ILE A 58 -7.567 3.701 -4.595 1.00 0.00 C ATOM 0 H ILE A 58 -7.719 2.978 -7.774 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.786 1.016 -6.715 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.536 1.925 -5.953 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.734 1.883 -3.784 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.828 2.542 -5.131 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.475 0.259 -4.147 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.525 -0.499 -5.756 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.996 -0.439 -4.847 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.011 4.340 -3.909 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -7.645 4.192 -5.565 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -8.566 3.523 -4.197 1.00 0.00 H new ATOM 946 N LYS A 59 -6.361 -0.765 -8.262 1.00 0.00 N ATOM 947 CA LYS A 59 -6.688 -1.926 -9.074 1.00 0.00 C ATOM 948 C LYS A 59 -6.485 -3.196 -8.245 1.00 0.00 C ATOM 949 O LYS A 59 -5.441 -3.372 -7.618 1.00 0.00 O ATOM 950 CB LYS A 59 -5.889 -1.909 -10.379 1.00 0.00 C ATOM 951 CG LYS A 59 -6.062 -0.576 -11.110 1.00 0.00 C ATOM 952 CD LYS A 59 -6.291 -0.797 -12.607 1.00 0.00 C ATOM 953 CE LYS A 59 -5.181 -1.660 -13.210 1.00 0.00 C ATOM 954 NZ LYS A 59 -5.653 -2.323 -14.446 1.00 0.00 N ATOM 0 H LYS A 59 -5.371 -0.666 -8.038 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.737 -1.902 -9.369 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.833 -2.077 -10.166 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.218 -2.726 -11.022 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -6.906 -0.031 -10.686 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.177 0.042 -10.961 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -7.256 -1.278 -12.764 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.327 0.165 -13.119 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.311 -1.041 -13.432 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.862 -2.411 -12.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.887 -2.905 -14.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.469 -2.929 -14.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.935 -1.602 -15.141 1.00 0.00 H new ATOM 968 N GLU A 60 -7.499 -4.048 -8.270 1.00 0.00 N ATOM 969 CA GLU A 60 -7.445 -5.297 -7.529 1.00 0.00 C ATOM 970 C GLU A 60 -6.763 -6.381 -8.365 1.00 0.00 C ATOM 971 O GLU A 60 -7.315 -6.837 -9.366 1.00 0.00 O ATOM 972 CB GLU A 60 -8.844 -5.737 -7.094 1.00 0.00 C ATOM 973 CG GLU A 60 -9.366 -4.860 -5.954 1.00 0.00 C ATOM 974 CD GLU A 60 -10.877 -5.027 -5.781 1.00 0.00 C ATOM 975 OE1 GLU A 60 -11.596 -4.726 -6.758 1.00 0.00 O ATOM 976 OE2 GLU A 60 -11.278 -5.451 -4.676 1.00 0.00 O ATOM 0 H GLU A 60 -8.363 -3.898 -8.792 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.854 -5.137 -6.627 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.527 -5.681 -7.942 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.818 -6.779 -6.774 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.859 -5.124 -5.026 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.133 -3.815 -6.158 1.00 0.00 H new ATOM 983 N ILE A 61 -5.574 -6.764 -7.924 1.00 0.00 N ATOM 984 CA ILE A 61 -4.812 -7.787 -8.620 1.00 0.00 C ATOM 985 C ILE A 61 -5.395 -9.163 -8.292 1.00 0.00 C ATOM 986 O ILE A 61 -5.422 -9.569 -7.131 1.00 0.00 O ATOM 987 CB ILE A 61 -3.322 -7.657 -8.297 1.00 0.00 C ATOM 988 CG1 ILE A 61 -2.856 -6.206 -8.431 1.00 0.00 C ATOM 989 CG2 ILE A 61 -2.489 -8.609 -9.159 1.00 0.00 C ATOM 990 CD1 ILE A 61 -2.820 -5.775 -9.898 1.00 0.00 C ATOM 0 H ILE A 61 -5.120 -6.384 -7.093 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.894 -7.655 -9.699 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.171 -7.948 -7.258 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.526 -5.552 -7.873 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.864 -6.097 -7.992 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.434 -8.497 -8.910 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.799 -9.637 -8.970 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.640 -8.373 -10.212 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.485 -4.740 -9.965 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.131 -6.415 -10.449 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.818 -5.862 -10.327 1.00 0.00 H new ATOM 1123 N PHE A 71 -6.228 -11.666 -1.877 1.00 0.00 N ATOM 1124 CA PHE A 71 -6.480 -10.247 -1.688 1.00 0.00 C ATOM 1125 C PHE A 71 -5.224 -9.424 -1.984 1.00 0.00 C ATOM 1126 O PHE A 71 -4.412 -9.182 -1.092 1.00 0.00 O ATOM 1127 CB PHE A 71 -6.868 -10.054 -0.221 1.00 0.00 C ATOM 1128 CG PHE A 71 -7.867 -11.089 0.300 1.00 0.00 C ATOM 1129 CD1 PHE A 71 -9.045 -11.285 -0.351 1.00 0.00 C ATOM 1130 CD2 PHE A 71 -7.577 -11.813 1.414 1.00 0.00 C ATOM 1131 CE1 PHE A 71 -9.972 -12.246 0.133 1.00 0.00 C ATOM 1132 CE2 PHE A 71 -8.504 -12.774 1.897 1.00 0.00 C ATOM 1133 CZ PHE A 71 -9.682 -12.970 1.247 1.00 0.00 C ATOM 0 HA PHE A 71 -7.268 -9.915 -2.364 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -5.967 -10.094 0.391 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -7.294 -9.058 -0.096 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -9.275 -10.710 -1.236 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -6.642 -11.657 1.931 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -10.907 -12.402 -0.384 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -8.273 -13.350 2.781 1.00 0.00 H new ATOM 0 HZ PHE A 71 -10.387 -13.700 1.615 1.00 0.00 H new ATOM 1143 N VAL A 72 -5.105 -9.016 -3.238 1.00 0.00 N ATOM 1144 CA VAL A 72 -3.963 -8.224 -3.663 1.00 0.00 C ATOM 1145 C VAL A 72 -4.449 -7.050 -4.514 1.00 0.00 C ATOM 1146 O VAL A 72 -5.222 -7.237 -5.453 1.00 0.00 O ATOM 1147 CB VAL A 72 -2.952 -9.113 -4.391 1.00 0.00 C ATOM 1148 CG1 VAL A 72 -1.655 -8.352 -4.671 1.00 0.00 C ATOM 1149 CG2 VAL A 72 -2.678 -10.393 -3.600 1.00 0.00 C ATOM 0 H VAL A 72 -5.781 -9.219 -3.975 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.446 -7.806 -2.799 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.386 -9.399 -5.349 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.954 -9.006 -5.189 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.870 -7.484 -5.295 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.216 -8.022 -3.729 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.956 -11.007 -4.139 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -2.275 -10.136 -2.620 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -3.607 -10.950 -3.476 1.00 0.00 H new ATOM 1159 N PHE A 73 -3.977 -5.865 -4.156 1.00 0.00 N ATOM 1160 CA PHE A 73 -4.354 -4.660 -4.876 1.00 0.00 C ATOM 1161 C PHE A 73 -3.173 -3.694 -4.984 1.00 0.00 C ATOM 1162 O PHE A 73 -2.479 -3.443 -4.000 1.00 0.00 O ATOM 1163 CB PHE A 73 -5.473 -3.992 -4.074 1.00 0.00 C ATOM 1164 CG PHE A 73 -4.993 -3.289 -2.803 1.00 0.00 C ATOM 1165 CD1 PHE A 73 -4.663 -4.020 -1.705 1.00 0.00 C ATOM 1166 CD2 PHE A 73 -4.896 -1.933 -2.771 1.00 0.00 C ATOM 1167 CE1 PHE A 73 -4.217 -3.367 -0.525 1.00 0.00 C ATOM 1168 CE2 PHE A 73 -4.450 -1.280 -1.592 1.00 0.00 C ATOM 1169 CZ PHE A 73 -4.120 -2.011 -0.493 1.00 0.00 C ATOM 0 H PHE A 73 -3.337 -5.713 -3.377 1.00 0.00 H new ATOM 0 HA PHE A 73 -4.674 -4.915 -5.886 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -5.978 -3.265 -4.710 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -6.212 -4.746 -3.803 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.740 -5.097 -1.730 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -5.158 -1.352 -3.643 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -3.955 -3.948 0.347 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -4.373 -0.203 -1.567 1.00 0.00 H new ATOM 0 HZ PHE A 73 -3.781 -1.515 0.404 1.00 0.00 H new ATOM 1179 N GLU A 74 -2.981 -3.178 -6.189 1.00 0.00 N ATOM 1180 CA GLU A 74 -1.896 -2.244 -6.439 1.00 0.00 C ATOM 1181 C GLU A 74 -2.452 -0.848 -6.727 1.00 0.00 C ATOM 1182 O GLU A 74 -3.523 -0.712 -7.316 1.00 0.00 O ATOM 1183 CB GLU A 74 -1.009 -2.729 -7.588 1.00 0.00 C ATOM 1184 CG GLU A 74 -1.309 -1.957 -8.875 1.00 0.00 C ATOM 1185 CD GLU A 74 -0.759 -2.695 -10.097 1.00 0.00 C ATOM 1186 OE1 GLU A 74 -0.224 -3.807 -9.896 1.00 0.00 O ATOM 1187 OE2 GLU A 74 -0.885 -2.130 -11.205 1.00 0.00 O ATOM 0 H GLU A 74 -3.558 -3.389 -7.003 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.277 -2.189 -5.544 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.040 -2.603 -7.320 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.171 -3.794 -7.752 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.386 -1.823 -8.981 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.868 -0.962 -8.818 1.00 0.00 H new ATOM 1194 N ILE A 75 -1.699 0.154 -6.298 1.00 0.00 N ATOM 1195 CA ILE A 75 -2.103 1.534 -6.502 1.00 0.00 C ATOM 1196 C ILE A 75 -1.232 2.160 -7.593 1.00 0.00 C ATOM 1197 O ILE A 75 -0.015 1.987 -7.596 1.00 0.00 O ATOM 1198 CB ILE A 75 -2.077 2.302 -5.178 1.00 0.00 C ATOM 1199 CG1 ILE A 75 -2.771 1.508 -4.070 1.00 0.00 C ATOM 1200 CG2 ILE A 75 -2.676 3.700 -5.343 1.00 0.00 C ATOM 1201 CD1 ILE A 75 -2.313 1.978 -2.689 1.00 0.00 C ATOM 0 H ILE A 75 -0.811 0.037 -5.810 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.135 1.581 -6.851 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.037 2.431 -4.878 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.851 1.623 -4.157 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -2.553 0.446 -4.187 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -2.645 4.224 -4.388 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -2.100 4.258 -6.082 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.710 3.616 -5.677 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.822 1.397 -1.920 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.236 1.839 -2.596 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.554 3.034 -2.565 1.00 0.00 H new ATOM 1213 N ILE A 76 -1.891 2.875 -8.494 1.00 0.00 N ATOM 1214 CA ILE A 76 -1.192 3.527 -9.588 1.00 0.00 C ATOM 1215 C ILE A 76 -1.320 5.044 -9.437 1.00 0.00 C ATOM 1216 O ILE A 76 -2.421 5.563 -9.253 1.00 0.00 O ATOM 1217 CB ILE A 76 -1.692 2.999 -10.934 1.00 0.00 C ATOM 1218 CG1 ILE A 76 -1.538 1.479 -11.018 1.00 0.00 C ATOM 1219 CG2 ILE A 76 -0.995 3.711 -12.095 1.00 0.00 C ATOM 1220 CD1 ILE A 76 -2.897 0.784 -10.911 1.00 0.00 C ATOM 0 H ILE A 76 -2.901 3.017 -8.488 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.128 3.291 -9.555 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.756 3.219 -11.014 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.061 1.210 -11.960 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.884 1.131 -10.219 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.368 3.317 -13.040 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.199 4.780 -12.041 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.080 3.544 -12.032 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.760 -0.295 -10.974 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.361 1.036 -9.957 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -3.540 1.116 -11.726 1.00 0.00 H new ATOM 1232 N PRO A 77 -0.150 5.732 -9.522 1.00 0.00 N ATOM 1233 CA PRO A 77 -0.121 7.179 -9.397 1.00 0.00 C ATOM 1234 C PRO A 77 -0.648 7.850 -10.667 1.00 0.00 C ATOM 1235 O PRO A 77 0.051 7.908 -11.678 1.00 0.00 O ATOM 1236 CB PRO A 77 1.331 7.519 -9.104 1.00 0.00 C ATOM 1237 CG PRO A 77 2.139 6.306 -9.534 1.00 0.00 C ATOM 1238 CD PRO A 77 1.172 5.151 -9.740 1.00 0.00 C ATOM 0 HA PRO A 77 -0.770 7.546 -8.602 1.00 0.00 H new ATOM 0 HB2 PRO A 77 1.642 8.409 -9.651 1.00 0.00 H new ATOM 0 HB3 PRO A 77 1.477 7.729 -8.044 1.00 0.00 H new ATOM 0 HG2 PRO A 77 2.684 6.517 -10.454 1.00 0.00 H new ATOM 0 HG3 PRO A 77 2.880 6.053 -8.776 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.261 4.734 -10.743 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.369 4.340 -9.039 1.00 0.00 H new ATOM 1411 N SER A 89 3.982 0.568 -10.012 1.00 0.00 N ATOM 1412 CA SER A 89 2.839 0.890 -9.174 1.00 0.00 C ATOM 1413 C SER A 89 3.087 0.409 -7.743 1.00 0.00 C ATOM 1414 O SER A 89 4.095 -0.241 -7.469 1.00 0.00 O ATOM 1415 CB SER A 89 1.556 0.267 -9.729 1.00 0.00 C ATOM 1416 OG SER A 89 1.606 -1.157 -9.718 1.00 0.00 O ATOM 0 HA SER A 89 2.712 1.973 -9.170 1.00 0.00 H new ATOM 0 HB2 SER A 89 0.704 0.604 -9.138 1.00 0.00 H new ATOM 0 HB3 SER A 89 1.395 0.616 -10.749 1.00 0.00 H new ATOM 0 HG SER A 89 2.538 -1.452 -9.791 1.00 0.00 H new ATOM 1422 N TYR A 90 2.150 0.746 -6.869 1.00 0.00 N ATOM 1423 CA TYR A 90 2.255 0.356 -5.473 1.00 0.00 C ATOM 1424 C TYR A 90 1.487 -0.940 -5.207 1.00 0.00 C ATOM 1425 O TYR A 90 0.297 -0.908 -4.895 1.00 0.00 O ATOM 1426 CB TYR A 90 1.613 1.489 -4.670 1.00 0.00 C ATOM 1427 CG TYR A 90 2.617 2.366 -3.920 1.00 0.00 C ATOM 1428 CD1 TYR A 90 3.885 2.556 -4.431 1.00 0.00 C ATOM 1429 CD2 TYR A 90 2.255 2.968 -2.732 1.00 0.00 C ATOM 1430 CE1 TYR A 90 4.830 3.381 -3.725 1.00 0.00 C ATOM 1431 CE2 TYR A 90 3.201 3.794 -2.025 1.00 0.00 C ATOM 1432 CZ TYR A 90 4.441 3.960 -2.557 1.00 0.00 C ATOM 1433 OH TYR A 90 5.334 4.739 -1.890 1.00 0.00 O ATOM 0 H TYR A 90 1.315 1.284 -7.100 1.00 0.00 H new ATOM 0 HA TYR A 90 3.296 0.187 -5.199 1.00 0.00 H new ATOM 0 HB2 TYR A 90 1.032 2.116 -5.346 1.00 0.00 H new ATOM 0 HB3 TYR A 90 0.913 1.061 -3.953 1.00 0.00 H new ATOM 0 HD1 TYR A 90 4.168 2.085 -5.361 1.00 0.00 H new ATOM 0 HD2 TYR A 90 1.263 2.820 -2.332 1.00 0.00 H new ATOM 0 HE1 TYR A 90 5.825 3.537 -4.114 1.00 0.00 H new ATOM 0 HE2 TYR A 90 2.931 4.270 -1.094 1.00 0.00 H new ATOM 0 HH TYR A 90 5.602 4.292 -1.060 1.00 0.00 H new ATOM 1443 N VAL A 91 2.198 -2.050 -5.340 1.00 0.00 N ATOM 1444 CA VAL A 91 1.598 -3.354 -5.117 1.00 0.00 C ATOM 1445 C VAL A 91 1.479 -3.606 -3.613 1.00 0.00 C ATOM 1446 O VAL A 91 2.463 -3.945 -2.957 1.00 0.00 O ATOM 1447 CB VAL A 91 2.407 -4.432 -5.842 1.00 0.00 C ATOM 1448 CG1 VAL A 91 1.791 -5.816 -5.628 1.00 0.00 C ATOM 1449 CG2 VAL A 91 2.534 -4.113 -7.333 1.00 0.00 C ATOM 0 H VAL A 91 3.184 -2.073 -5.599 1.00 0.00 H new ATOM 0 HA VAL A 91 0.591 -3.387 -5.532 1.00 0.00 H new ATOM 0 HB VAL A 91 3.410 -4.442 -5.415 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.385 -6.564 -6.154 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.777 -6.047 -4.563 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.772 -5.824 -6.015 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.113 -4.895 -7.824 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.541 -4.062 -7.780 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.038 -3.155 -7.458 1.00 0.00 H new ATOM 1459 N LEU A 92 0.266 -3.431 -3.110 1.00 0.00 N ATOM 1460 CA LEU A 92 0.006 -3.636 -1.695 1.00 0.00 C ATOM 1461 C LEU A 92 -0.867 -4.879 -1.516 1.00 0.00 C ATOM 1462 O LEU A 92 -1.838 -5.071 -2.247 1.00 0.00 O ATOM 1463 CB LEU A 92 -0.590 -2.371 -1.072 1.00 0.00 C ATOM 1464 CG LEU A 92 0.110 -1.057 -1.424 1.00 0.00 C ATOM 1465 CD1 LEU A 92 -0.407 0.089 -0.552 1.00 0.00 C ATOM 1466 CD2 LEU A 92 1.630 -1.204 -1.335 1.00 0.00 C ATOM 0 H LEU A 92 -0.548 -3.150 -3.657 1.00 0.00 H new ATOM 0 HA LEU A 92 0.937 -3.820 -1.159 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.634 -2.297 -1.377 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.582 -2.485 0.012 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.129 -0.809 -2.458 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.106 1.012 -0.822 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.479 0.211 -0.709 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.217 -0.138 0.497 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.103 -0.256 -1.590 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.909 -1.487 -0.320 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.962 -1.974 -2.031 1.00 0.00 H new ATOM 1478 N MET A 93 -0.491 -5.691 -0.539 1.00 0.00 N ATOM 1479 CA MET A 93 -1.228 -6.911 -0.255 1.00 0.00 C ATOM 1480 C MET A 93 -1.680 -6.950 1.206 1.00 0.00 C ATOM 1481 O MET A 93 -0.891 -6.686 2.112 1.00 0.00 O ATOM 1482 CB MET A 93 -0.341 -8.123 -0.547 1.00 0.00 C ATOM 1483 CG MET A 93 -1.043 -9.424 -0.153 1.00 0.00 C ATOM 1484 SD MET A 93 0.060 -10.446 0.810 1.00 0.00 S ATOM 1485 CE MET A 93 1.306 -10.799 -0.418 1.00 0.00 C ATOM 0 H MET A 93 0.314 -5.528 0.066 1.00 0.00 H new ATOM 0 HA MET A 93 -2.113 -6.935 -0.891 1.00 0.00 H new ATOM 0 HB2 MET A 93 -0.090 -8.148 -1.608 1.00 0.00 H new ATOM 0 HB3 MET A 93 0.597 -8.032 0.000 1.00 0.00 H new ATOM 0 HG2 MET A 93 -1.942 -9.202 0.422 1.00 0.00 H new ATOM 0 HG3 MET A 93 -1.361 -9.960 -1.047 1.00 0.00 H new ATOM 0 HE1 MET A 93 1.306 -11.866 -0.640 1.00 0.00 H new ATOM 0 HE2 MET A 93 1.089 -10.239 -1.328 1.00 0.00 H new ATOM 0 HE3 MET A 93 2.285 -10.508 -0.037 1.00 0.00 H new ATOM 1495 N ALA A 94 -2.950 -7.282 1.391 1.00 0.00 N ATOM 1496 CA ALA A 94 -3.517 -7.359 2.726 1.00 0.00 C ATOM 1497 C ALA A 94 -3.609 -8.826 3.153 1.00 0.00 C ATOM 1498 O ALA A 94 -3.635 -9.721 2.309 1.00 0.00 O ATOM 1499 CB ALA A 94 -4.877 -6.660 2.744 1.00 0.00 C ATOM 0 H ALA A 94 -3.602 -7.501 0.638 1.00 0.00 H new ATOM 0 HA ALA A 94 -2.878 -6.846 3.445 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.303 -6.718 3.746 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -4.752 -5.614 2.462 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -5.547 -7.149 2.037 1.00 0.00 H new ATOM 1505 N SER A 95 -3.655 -9.027 4.461 1.00 0.00 N ATOM 1506 CA SER A 95 -3.744 -10.370 5.010 1.00 0.00 C ATOM 1507 C SER A 95 -5.166 -10.909 4.844 1.00 0.00 C ATOM 1508 O SER A 95 -5.359 -12.021 4.354 1.00 0.00 O ATOM 1509 CB SER A 95 -3.337 -10.390 6.484 1.00 0.00 C ATOM 1510 OG SER A 95 -2.261 -11.292 6.728 1.00 0.00 O ATOM 0 H SER A 95 -3.632 -8.282 5.158 1.00 0.00 H new ATOM 0 HA SER A 95 -3.053 -11.011 4.462 1.00 0.00 H new ATOM 0 HB2 SER A 95 -3.046 -9.386 6.793 1.00 0.00 H new ATOM 0 HB3 SER A 95 -4.195 -10.675 7.093 1.00 0.00 H new ATOM 0 HG SER A 95 -2.029 -11.275 7.680 1.00 0.00 H new ATOM 1516 N SER A 96 -6.126 -10.097 5.262 1.00 0.00 N ATOM 1517 CA SER A 96 -7.524 -10.479 5.166 1.00 0.00 C ATOM 1518 C SER A 96 -8.236 -9.605 4.132 1.00 0.00 C ATOM 1519 O SER A 96 -7.649 -8.664 3.599 1.00 0.00 O ATOM 1520 CB SER A 96 -8.220 -10.368 6.524 1.00 0.00 C ATOM 1521 OG SER A 96 -9.613 -10.096 6.390 1.00 0.00 O ATOM 0 H SER A 96 -5.963 -9.176 5.668 1.00 0.00 H new ATOM 0 HA SER A 96 -7.572 -11.520 4.847 1.00 0.00 H new ATOM 0 HB2 SER A 96 -8.084 -11.297 7.078 1.00 0.00 H new ATOM 0 HB3 SER A 96 -7.751 -9.576 7.108 1.00 0.00 H new ATOM 0 HG SER A 96 -10.021 -10.034 7.279 1.00 0.00 H new ATOM 1527 N GLN A 97 -9.491 -9.946 3.879 1.00 0.00 N ATOM 1528 CA GLN A 97 -10.289 -9.203 2.918 1.00 0.00 C ATOM 1529 C GLN A 97 -10.855 -7.937 3.563 1.00 0.00 C ATOM 1530 O GLN A 97 -10.763 -6.851 2.994 1.00 0.00 O ATOM 1531 CB GLN A 97 -11.409 -10.075 2.345 1.00 0.00 C ATOM 1532 CG GLN A 97 -12.333 -9.256 1.441 1.00 0.00 C ATOM 1533 CD GLN A 97 -13.573 -10.063 1.050 1.00 0.00 C ATOM 1534 OE1 GLN A 97 -13.859 -11.115 1.598 1.00 0.00 O ATOM 1535 NE2 GLN A 97 -14.291 -9.513 0.075 1.00 0.00 N ATOM 0 H GLN A 97 -9.975 -10.727 4.323 1.00 0.00 H new ATOM 0 HA GLN A 97 -9.644 -8.907 2.091 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -10.978 -10.901 1.779 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -11.986 -10.514 3.159 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -12.636 -8.344 1.955 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -11.794 -8.952 0.543 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -13.995 -8.630 -0.341 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -15.138 -9.974 -0.257 1.00 0.00 H new ATOM 1544 N ALA A 98 -11.429 -8.119 4.744 1.00 0.00 N ATOM 1545 CA ALA A 98 -12.010 -7.005 5.473 1.00 0.00 C ATOM 1546 C ALA A 98 -10.971 -5.890 5.606 1.00 0.00 C ATOM 1547 O ALA A 98 -11.324 -4.724 5.777 1.00 0.00 O ATOM 1548 CB ALA A 98 -12.518 -7.493 6.831 1.00 0.00 C ATOM 0 H ALA A 98 -11.504 -9.021 5.214 1.00 0.00 H new ATOM 0 HA ALA A 98 -12.864 -6.597 4.933 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -12.954 -6.657 7.378 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -13.275 -8.263 6.681 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -11.688 -7.907 7.403 1.00 0.00 H new ATOM 1554 N GLU A 99 -9.709 -6.288 5.522 1.00 0.00 N ATOM 1555 CA GLU A 99 -8.616 -5.337 5.631 1.00 0.00 C ATOM 1556 C GLU A 99 -8.428 -4.591 4.308 1.00 0.00 C ATOM 1557 O GLU A 99 -8.440 -3.361 4.278 1.00 0.00 O ATOM 1558 CB GLU A 99 -7.323 -6.035 6.055 1.00 0.00 C ATOM 1559 CG GLU A 99 -6.242 -5.014 6.416 1.00 0.00 C ATOM 1560 CD GLU A 99 -6.134 -4.842 7.932 1.00 0.00 C ATOM 1561 OE1 GLU A 99 -7.167 -4.486 8.538 1.00 0.00 O ATOM 1562 OE2 GLU A 99 -5.020 -5.070 8.451 1.00 0.00 O ATOM 0 H GLU A 99 -9.420 -7.256 5.380 1.00 0.00 H new ATOM 0 HA GLU A 99 -8.868 -4.610 6.403 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -7.518 -6.681 6.911 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -6.969 -6.675 5.247 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -5.282 -5.338 6.014 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -6.474 -4.055 5.953 1.00 0.00 H new ATOM 1569 N MET A 100 -8.259 -5.366 3.247 1.00 0.00 N ATOM 1570 CA MET A 100 -8.069 -4.794 1.925 1.00 0.00 C ATOM 1571 C MET A 100 -9.257 -3.914 1.532 1.00 0.00 C ATOM 1572 O MET A 100 -9.088 -2.909 0.842 1.00 0.00 O ATOM 1573 CB MET A 100 -7.906 -5.919 0.901 1.00 0.00 C ATOM 1574 CG MET A 100 -7.596 -5.356 -0.488 1.00 0.00 C ATOM 1575 SD MET A 100 -8.037 -6.546 -1.742 1.00 0.00 S ATOM 1576 CE MET A 100 -9.765 -6.775 -1.358 1.00 0.00 C ATOM 0 H MET A 100 -8.250 -6.386 3.276 1.00 0.00 H new ATOM 0 HA MET A 100 -7.173 -4.174 1.943 1.00 0.00 H new ATOM 0 HB2 MET A 100 -7.103 -6.587 1.214 1.00 0.00 H new ATOM 0 HB3 MET A 100 -8.818 -6.514 0.861 1.00 0.00 H new ATOM 0 HG2 MET A 100 -8.147 -4.429 -0.645 1.00 0.00 H new ATOM 0 HG3 MET A 100 -6.536 -5.113 -0.563 1.00 0.00 H new ATOM 0 HE1 MET A 100 -10.327 -6.916 -2.281 1.00 0.00 H new ATOM 0 HE2 MET A 100 -9.883 -7.653 -0.723 1.00 0.00 H new ATOM 0 HE3 MET A 100 -10.141 -5.896 -0.835 1.00 0.00 H new ATOM 1586 N GLU A 101 -10.432 -4.323 1.988 1.00 0.00 N ATOM 1587 CA GLU A 101 -11.647 -3.583 1.693 1.00 0.00 C ATOM 1588 C GLU A 101 -11.631 -2.229 2.405 1.00 0.00 C ATOM 1589 O GLU A 101 -11.913 -1.199 1.793 1.00 0.00 O ATOM 1590 CB GLU A 101 -12.888 -4.391 2.081 1.00 0.00 C ATOM 1591 CG GLU A 101 -13.585 -4.954 0.841 1.00 0.00 C ATOM 1592 CD GLU A 101 -13.875 -3.848 -0.175 1.00 0.00 C ATOM 1593 OE1 GLU A 101 -14.863 -3.116 0.049 1.00 0.00 O ATOM 1594 OE2 GLU A 101 -13.102 -3.759 -1.153 1.00 0.00 O ATOM 0 H GLU A 101 -10.568 -5.157 2.559 1.00 0.00 H new ATOM 0 HA GLU A 101 -11.689 -3.406 0.618 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -12.602 -5.207 2.744 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -13.580 -3.757 2.636 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -12.958 -5.718 0.383 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -14.517 -5.439 1.132 1.00 0.00 H new ATOM 1601 N GLU A 102 -11.297 -2.273 3.686 1.00 0.00 N ATOM 1602 CA GLU A 102 -11.240 -1.062 4.487 1.00 0.00 C ATOM 1603 C GLU A 102 -10.282 -0.052 3.854 1.00 0.00 C ATOM 1604 O GLU A 102 -10.686 1.055 3.498 1.00 0.00 O ATOM 1605 CB GLU A 102 -10.832 -1.376 5.928 1.00 0.00 C ATOM 1606 CG GLU A 102 -11.462 -0.381 6.905 1.00 0.00 C ATOM 1607 CD GLU A 102 -12.970 -0.611 7.026 1.00 0.00 C ATOM 1608 OE1 GLU A 102 -13.350 -1.785 7.225 1.00 0.00 O ATOM 1609 OE2 GLU A 102 -13.707 0.392 6.918 1.00 0.00 O ATOM 0 H GLU A 102 -11.063 -3.129 4.189 1.00 0.00 H new ATOM 0 HA GLU A 102 -12.236 -0.621 4.514 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -11.141 -2.389 6.185 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -9.746 -1.342 6.018 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -10.995 -0.483 7.885 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -11.272 0.637 6.566 1.00 0.00 H new ATOM 1616 N TRP A 103 -9.030 -0.468 3.731 1.00 0.00 N ATOM 1617 CA TRP A 103 -8.010 0.387 3.147 1.00 0.00 C ATOM 1618 C TRP A 103 -8.548 0.923 1.819 1.00 0.00 C ATOM 1619 O TRP A 103 -8.648 2.134 1.629 1.00 0.00 O ATOM 1620 CB TRP A 103 -6.685 -0.364 2.997 1.00 0.00 C ATOM 1621 CG TRP A 103 -5.740 -0.201 4.189 1.00 0.00 C ATOM 1622 CD1 TRP A 103 -5.410 -1.116 5.111 1.00 0.00 C ATOM 1623 CD2 TRP A 103 -5.011 0.990 4.552 1.00 0.00 C ATOM 1624 NE1 TRP A 103 -4.525 -0.604 6.038 1.00 0.00 N ATOM 1625 CE2 TRP A 103 -4.275 0.717 5.687 1.00 0.00 C ATOM 1626 CE3 TRP A 103 -4.975 2.256 3.942 1.00 0.00 C ATOM 1627 CZ2 TRP A 103 -3.449 1.661 6.311 1.00 0.00 C ATOM 1628 CZ3 TRP A 103 -4.145 3.188 4.577 1.00 0.00 C ATOM 1629 CH2 TRP A 103 -3.398 2.929 5.720 1.00 0.00 C ATOM 0 H TRP A 103 -8.699 -1.386 4.026 1.00 0.00 H new ATOM 0 HA TRP A 103 -7.792 1.231 3.801 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -6.894 -1.424 2.854 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -6.181 -0.014 2.096 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -5.789 -2.127 5.127 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -4.128 -1.103 6.834 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -5.543 2.491 3.054 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -2.883 1.423 7.199 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -4.081 4.177 4.149 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -2.780 3.703 6.151 1.00 0.00 H new ATOM 1640 N VAL A 104 -8.879 -0.005 0.933 1.00 0.00 N ATOM 1641 CA VAL A 104 -9.404 0.359 -0.372 1.00 0.00 C ATOM 1642 C VAL A 104 -10.518 1.393 -0.199 1.00 0.00 C ATOM 1643 O VAL A 104 -10.458 2.478 -0.774 1.00 0.00 O ATOM 1644 CB VAL A 104 -9.862 -0.894 -1.120 1.00 0.00 C ATOM 1645 CG1 VAL A 104 -10.743 -0.528 -2.316 1.00 0.00 C ATOM 1646 CG2 VAL A 104 -8.664 -1.739 -1.560 1.00 0.00 C ATOM 0 H VAL A 104 -8.794 -1.009 1.093 1.00 0.00 H new ATOM 0 HA VAL A 104 -8.626 0.819 -0.982 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.461 -1.493 -0.434 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -11.055 -1.437 -2.830 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -11.623 0.012 -1.968 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -10.179 0.102 -3.004 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -9.018 -2.624 -2.089 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -8.027 -1.151 -2.221 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -8.093 -2.045 -0.683 1.00 0.00 H new ATOM 1656 N LYS A 105 -11.510 1.019 0.597 1.00 0.00 N ATOM 1657 CA LYS A 105 -12.636 1.901 0.853 1.00 0.00 C ATOM 1658 C LYS A 105 -12.128 3.334 1.024 1.00 0.00 C ATOM 1659 O LYS A 105 -12.536 4.232 0.290 1.00 0.00 O ATOM 1660 CB LYS A 105 -13.454 1.392 2.042 1.00 0.00 C ATOM 1661 CG LYS A 105 -14.439 2.459 2.526 1.00 0.00 C ATOM 1662 CD LYS A 105 -15.466 1.860 3.490 1.00 0.00 C ATOM 1663 CE LYS A 105 -15.388 2.534 4.861 1.00 0.00 C ATOM 1664 NZ LYS A 105 -16.340 3.664 4.938 1.00 0.00 N ATOM 0 H LYS A 105 -11.557 0.118 1.073 1.00 0.00 H new ATOM 0 HA LYS A 105 -13.319 1.905 0.003 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -13.999 0.492 1.755 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -12.785 1.113 2.856 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -13.895 3.263 3.022 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -14.951 2.901 1.671 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -16.469 1.979 3.079 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -15.290 0.790 3.596 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -15.612 1.808 5.643 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -14.374 2.892 5.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -16.274 4.110 5.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -16.108 4.364 4.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -17.308 3.313 4.789 1.00 0.00 H new ATOM 1678 N PHE A 106 -11.245 3.503 1.998 1.00 0.00 N ATOM 1679 CA PHE A 106 -10.678 4.811 2.275 1.00 0.00 C ATOM 1680 C PHE A 106 -9.870 5.322 1.080 1.00 0.00 C ATOM 1681 O PHE A 106 -10.127 6.413 0.573 1.00 0.00 O ATOM 1682 CB PHE A 106 -9.743 4.648 3.475 1.00 0.00 C ATOM 1683 CG PHE A 106 -10.462 4.616 4.824 1.00 0.00 C ATOM 1684 CD1 PHE A 106 -11.002 5.755 5.335 1.00 0.00 C ATOM 1685 CD2 PHE A 106 -10.563 3.447 5.513 1.00 0.00 C ATOM 1686 CE1 PHE A 106 -11.670 5.725 6.588 1.00 0.00 C ATOM 1687 CE2 PHE A 106 -11.231 3.417 6.766 1.00 0.00 C ATOM 1688 CZ PHE A 106 -11.770 4.556 7.277 1.00 0.00 C ATOM 0 H PHE A 106 -10.909 2.755 2.605 1.00 0.00 H new ATOM 0 HA PHE A 106 -11.475 5.528 2.474 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -9.174 3.726 3.356 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -9.025 5.468 3.477 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -10.923 6.683 4.788 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -10.135 2.542 5.107 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -12.098 6.630 6.994 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -11.311 2.489 7.313 1.00 0.00 H new ATOM 0 HZ PHE A 106 -12.278 4.533 8.230 1.00 0.00 H new ATOM 1698 N LEU A 107 -8.910 4.509 0.664 1.00 0.00 N ATOM 1699 CA LEU A 107 -8.063 4.866 -0.462 1.00 0.00 C ATOM 1700 C LEU A 107 -8.937 5.369 -1.613 1.00 0.00 C ATOM 1701 O LEU A 107 -8.888 6.546 -1.965 1.00 0.00 O ATOM 1702 CB LEU A 107 -7.159 3.692 -0.845 1.00 0.00 C ATOM 1703 CG LEU A 107 -6.089 3.309 0.179 1.00 0.00 C ATOM 1704 CD1 LEU A 107 -5.672 1.846 0.015 1.00 0.00 C ATOM 1705 CD2 LEU A 107 -4.891 4.258 0.102 1.00 0.00 C ATOM 0 H LEU A 107 -8.700 3.605 1.086 1.00 0.00 H new ATOM 0 HA LEU A 107 -7.392 5.681 -0.191 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -7.787 2.820 -1.028 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -6.664 3.932 -1.786 1.00 0.00 H new ATOM 0 HG LEU A 107 -6.518 3.412 1.176 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -4.911 1.600 0.755 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.540 1.202 0.159 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -5.268 1.693 -0.986 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.145 3.963 0.840 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.453 4.211 -0.895 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -5.220 5.277 0.306 1.00 0.00 H new ATOM 1717 N ARG A 108 -9.717 4.452 -2.166 1.00 0.00 N ATOM 1718 CA ARG A 108 -10.600 4.788 -3.270 1.00 0.00 C ATOM 1719 C ARG A 108 -11.492 5.974 -2.894 1.00 0.00 C ATOM 1720 O ARG A 108 -11.605 6.935 -3.653 1.00 0.00 O ATOM 1721 CB ARG A 108 -11.482 3.598 -3.652 1.00 0.00 C ATOM 1722 CG ARG A 108 -11.224 3.167 -5.098 1.00 0.00 C ATOM 1723 CD ARG A 108 -11.495 1.672 -5.281 1.00 0.00 C ATOM 1724 NE ARG A 108 -11.886 1.397 -6.681 1.00 0.00 N ATOM 1725 CZ ARG A 108 -13.066 1.742 -7.214 1.00 0.00 C ATOM 1726 NH1 ARG A 108 -13.977 2.379 -6.466 1.00 0.00 N ATOM 1727 NH2 ARG A 108 -13.334 1.452 -8.494 1.00 0.00 N ATOM 0 H ARG A 108 -9.756 3.477 -1.870 1.00 0.00 H new ATOM 0 HA ARG A 108 -9.977 5.053 -4.124 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -11.285 2.763 -2.979 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -12.532 3.865 -3.530 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -11.861 3.741 -5.771 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -10.192 3.389 -5.369 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -10.605 1.098 -5.024 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -12.287 1.352 -4.604 1.00 0.00 H new ATOM 0 HE ARG A 108 -11.215 0.914 -7.278 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -13.772 2.601 -5.492 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -14.876 2.642 -6.871 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -12.640 0.968 -9.063 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -14.232 1.715 -8.899 1.00 0.00 H new ATOM 1741 N ARG A 109 -12.102 5.866 -1.722 1.00 0.00 N ATOM 1742 CA ARG A 109 -12.980 6.917 -1.236 1.00 0.00 C ATOM 1743 C ARG A 109 -12.316 8.285 -1.408 1.00 0.00 C ATOM 1744 O ARG A 109 -12.836 9.147 -2.114 1.00 0.00 O ATOM 1745 CB ARG A 109 -13.326 6.708 0.239 1.00 0.00 C ATOM 1746 CG ARG A 109 -13.971 7.961 0.834 1.00 0.00 C ATOM 1747 CD ARG A 109 -14.895 7.601 1.999 1.00 0.00 C ATOM 1748 NE ARG A 109 -14.721 8.573 3.102 1.00 0.00 N ATOM 1749 CZ ARG A 109 -15.477 8.597 4.208 1.00 0.00 C ATOM 1750 NH1 ARG A 109 -16.463 7.703 4.365 1.00 0.00 N ATOM 1751 NH2 ARG A 109 -15.247 9.514 5.157 1.00 0.00 N ATOM 0 H ARG A 109 -12.005 5.067 -1.095 1.00 0.00 H new ATOM 0 HA ARG A 109 -13.899 6.879 -1.822 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -14.006 5.862 0.340 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -12.423 6.460 0.796 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -13.195 8.645 1.178 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -14.538 8.483 0.063 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -15.932 7.600 1.664 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -14.673 6.594 2.352 1.00 0.00 H new ATOM 0 HE ARG A 109 -13.979 9.268 3.015 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -16.638 7.004 3.643 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -17.039 7.721 5.207 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -14.496 10.194 5.038 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -15.823 9.532 5.999 1.00 0.00 H new ATOM 1765 N VAL A 110 -11.176 8.441 -0.750 1.00 0.00 N ATOM 1766 CA VAL A 110 -10.436 9.689 -0.821 1.00 0.00 C ATOM 1767 C VAL A 110 -10.148 10.024 -2.286 1.00 0.00 C ATOM 1768 O VAL A 110 -10.418 11.136 -2.737 1.00 0.00 O ATOM 1769 CB VAL A 110 -9.168 9.594 0.031 1.00 0.00 C ATOM 1770 CG1 VAL A 110 -8.307 10.849 -0.127 1.00 0.00 C ATOM 1771 CG2 VAL A 110 -9.512 9.347 1.501 1.00 0.00 C ATOM 0 H VAL A 110 -10.747 7.724 -0.165 1.00 0.00 H new ATOM 0 HA VAL A 110 -11.027 10.508 -0.411 1.00 0.00 H new ATOM 0 HB VAL A 110 -8.588 8.742 -0.325 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -7.412 10.756 0.489 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -8.018 10.963 -1.172 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -8.876 11.723 0.190 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -8.593 9.284 2.084 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -10.123 10.169 1.875 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -10.065 8.412 1.593 1.00 0.00 H new ATOM 1781 N ALA A 111 -9.603 9.041 -2.989 1.00 0.00 N ATOM 1782 CA ALA A 111 -9.276 9.217 -4.393 1.00 0.00 C ATOM 1783 C ALA A 111 -10.491 9.788 -5.128 1.00 0.00 C ATOM 1784 O ALA A 111 -10.342 10.529 -6.098 1.00 0.00 O ATOM 1785 CB ALA A 111 -8.813 7.883 -4.981 1.00 0.00 C ATOM 0 H ALA A 111 -9.380 8.120 -2.611 1.00 0.00 H new ATOM 0 HA ALA A 111 -8.457 9.926 -4.510 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -8.568 8.015 -6.035 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -7.931 7.535 -4.444 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -9.610 7.146 -4.884 1.00 0.00 H new