USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 501 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 NoAdj-H: A 32 HIS HD1 : A 32 HIS ND1 : A 998 ZNZN :(H bumps) USER MOD NoAdj-H: A 61 HIS HD1 : A 61 HIS ND1 : A 999 ZNZN :(H bumps) USER MOD Set 1.1: A 43 GLN : amide:sc= -1.37 X(o=-3.4,f=-3.9) USER MOD Set 1.2: A 44 GLN :FLIP amide:sc= -2.01! C(o=-4.4!,f=-3.4!) USER MOD Set 2.1: A 26 SER OG : rot -73:sc= 1.17 USER MOD Set 2.2: A 27 ASN : amide:sc= -1.16 K(o=-0.86,f=-4.2!) USER MOD Set 2.3: A 31 TYR OH : rot -172:sc= -0.869 USER MOD Set 3.1: A 1 MET N :NH3+ -171:sc= 1.23 (180deg=-0.17) USER MOD Set 3.2: A 3 ASN : amide:sc= 1.04 K(o=2.3,f=-7.8!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 40:sc= 0.524 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -160:sc= -0.0136 (180deg=-0.186) USER MOD Single : A 22 LYS NZ :NH3+ 140:sc= -0.039 (180deg=-0.52) USER MOD Single : A 25 ASN : amide:sc= 0.376 K(o=0.38,f=-0.35) USER MOD Single : A 34 GLN : amide:sc= -0.203 X(o=-0.2,f=0) USER MOD Single : A 40 GLN : amide:sc= -0.329 K(o=-0.33,f=-1.1) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 169:sc= -0.728 (180deg=-0.888) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.439! X(o=-0.44!,f=0) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 CYS SG : rot 180:sc= -0.0982 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.434 -23.763 0.534 1.00 0.00 N ATOM 2 CA MET A 1 16.829 -24.950 -0.137 1.00 0.00 C ATOM 3 C MET A 1 15.684 -24.491 -1.045 1.00 0.00 C ATOM 4 O MET A 1 15.762 -24.593 -2.253 1.00 0.00 O ATOM 5 CB MET A 1 16.292 -25.919 0.921 1.00 0.00 C ATOM 6 CG MET A 1 17.461 -26.537 1.692 1.00 0.00 C ATOM 7 SD MET A 1 16.835 -27.797 2.830 1.00 0.00 S ATOM 8 CE MET A 1 18.438 -28.448 3.358 1.00 0.00 C ATOM 0 H1 MET A 1 18.303 -24.049 1.029 1.00 0.00 H new ATOM 0 H2 MET A 1 17.663 -23.041 -0.178 1.00 0.00 H new ATOM 0 H3 MET A 1 16.758 -23.370 1.220 1.00 0.00 H new ATOM 0 HA MET A 1 17.586 -25.456 -0.736 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.628 -25.393 1.607 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.702 -26.703 0.445 1.00 0.00 H new ATOM 0 HG2 MET A 1 18.174 -26.981 0.998 1.00 0.00 H new ATOM 0 HG3 MET A 1 17.994 -25.764 2.246 1.00 0.00 H new ATOM 0 HE1 MET A 1 18.285 -29.253 4.077 1.00 0.00 H new ATOM 0 HE2 MET A 1 18.977 -28.833 2.492 1.00 0.00 H new ATOM 0 HE3 MET A 1 19.019 -27.651 3.823 1.00 0.00 H new ATOM 18 N ALA A 2 14.624 -23.984 -0.470 1.00 0.00 N ATOM 19 CA ALA A 2 13.471 -23.516 -1.295 1.00 0.00 C ATOM 20 C ALA A 2 13.769 -22.113 -1.835 1.00 0.00 C ATOM 21 O ALA A 2 12.985 -21.195 -1.682 1.00 0.00 O ATOM 22 CB ALA A 2 12.209 -23.480 -0.428 1.00 0.00 C ATOM 0 H ALA A 2 14.507 -23.874 0.537 1.00 0.00 H new ATOM 0 HA ALA A 2 13.315 -24.198 -2.131 1.00 0.00 H new ATOM 0 HB1 ALA A 2 11.365 -23.139 -1.028 1.00 0.00 H new ATOM 0 HB2 ALA A 2 12.002 -24.479 -0.046 1.00 0.00 H new ATOM 0 HB3 ALA A 2 12.361 -22.796 0.407 1.00 0.00 H new ATOM 28 N ASN A 3 14.901 -21.941 -2.466 1.00 0.00 N ATOM 29 CA ASN A 3 15.263 -20.603 -3.019 1.00 0.00 C ATOM 30 C ASN A 3 14.557 -20.399 -4.364 1.00 0.00 C ATOM 31 O ASN A 3 15.174 -20.429 -5.412 1.00 0.00 O ATOM 32 CB ASN A 3 16.780 -20.529 -3.213 1.00 0.00 C ATOM 33 CG ASN A 3 17.479 -20.754 -1.870 1.00 0.00 C ATOM 34 OD1 ASN A 3 17.597 -21.873 -1.413 1.00 0.00 O ATOM 35 ND2 ASN A 3 17.950 -19.730 -1.214 1.00 0.00 N ATOM 0 H ASN A 3 15.593 -22.673 -2.623 1.00 0.00 H new ATOM 0 HA ASN A 3 14.949 -19.822 -2.327 1.00 0.00 H new ATOM 0 HB2 ASN A 3 17.102 -21.281 -3.933 1.00 0.00 H new ATOM 0 HB3 ASN A 3 17.058 -19.557 -3.621 1.00 0.00 H new ATOM 0 HD21 ASN A 3 18.417 -19.869 -0.318 1.00 0.00 H new ATOM 0 HD22 ASN A 3 17.851 -18.790 -1.597 1.00 0.00 H new ATOM 42 N ALA A 4 13.266 -20.191 -4.338 1.00 0.00 N ATOM 43 CA ALA A 4 12.511 -19.983 -5.608 1.00 0.00 C ATOM 44 C ALA A 4 11.234 -19.192 -5.315 1.00 0.00 C ATOM 45 O ALA A 4 10.429 -19.579 -4.490 1.00 0.00 O ATOM 46 CB ALA A 4 12.144 -21.341 -6.212 1.00 0.00 C ATOM 0 H ALA A 4 12.701 -20.156 -3.489 1.00 0.00 H new ATOM 0 HA ALA A 4 13.129 -19.428 -6.314 1.00 0.00 H new ATOM 0 HB1 ALA A 4 11.592 -21.189 -7.140 1.00 0.00 H new ATOM 0 HB2 ALA A 4 13.054 -21.905 -6.419 1.00 0.00 H new ATOM 0 HB3 ALA A 4 11.524 -21.897 -5.508 1.00 0.00 H new ATOM 52 N LEU A 5 11.045 -18.084 -5.984 1.00 0.00 N ATOM 53 CA LEU A 5 9.822 -17.261 -5.748 1.00 0.00 C ATOM 54 C LEU A 5 9.568 -16.368 -6.965 1.00 0.00 C ATOM 55 O LEU A 5 10.469 -15.729 -7.475 1.00 0.00 O ATOM 56 CB LEU A 5 10.026 -16.388 -4.503 1.00 0.00 C ATOM 57 CG LEU A 5 8.675 -15.848 -4.020 1.00 0.00 C ATOM 58 CD1 LEU A 5 8.635 -15.859 -2.489 1.00 0.00 C ATOM 59 CD2 LEU A 5 8.485 -14.413 -4.523 1.00 0.00 C ATOM 0 H LEU A 5 11.687 -17.713 -6.685 1.00 0.00 H new ATOM 0 HA LEU A 5 8.965 -17.916 -5.594 1.00 0.00 H new ATOM 0 HB2 LEU A 5 10.499 -16.971 -3.712 1.00 0.00 H new ATOM 0 HB3 LEU A 5 10.697 -15.561 -4.734 1.00 0.00 H new ATOM 0 HG LEU A 5 7.876 -16.479 -4.409 1.00 0.00 H new ATOM 0 HD11 LEU A 5 7.674 -15.475 -2.147 1.00 0.00 H new ATOM 0 HD12 LEU A 5 8.767 -16.879 -2.129 1.00 0.00 H new ATOM 0 HD13 LEU A 5 9.436 -15.231 -2.100 1.00 0.00 H new ATOM 0 HD21 LEU A 5 7.524 -14.031 -4.179 1.00 0.00 H new ATOM 0 HD22 LEU A 5 9.286 -13.783 -4.136 1.00 0.00 H new ATOM 0 HD23 LEU A 5 8.510 -14.403 -5.613 1.00 0.00 H new ATOM 71 N ALA A 6 8.349 -16.321 -7.432 1.00 0.00 N ATOM 72 CA ALA A 6 8.026 -15.471 -8.617 1.00 0.00 C ATOM 73 C ALA A 6 6.520 -15.204 -8.659 1.00 0.00 C ATOM 74 O ALA A 6 6.071 -14.218 -9.211 1.00 0.00 O ATOM 75 CB ALA A 6 8.452 -16.197 -9.896 1.00 0.00 C ATOM 0 H ALA A 6 7.559 -16.836 -7.043 1.00 0.00 H new ATOM 0 HA ALA A 6 8.560 -14.524 -8.541 1.00 0.00 H new ATOM 0 HB1 ALA A 6 8.217 -15.578 -10.762 1.00 0.00 H new ATOM 0 HB2 ALA A 6 9.525 -16.387 -9.866 1.00 0.00 H new ATOM 0 HB3 ALA A 6 7.918 -17.144 -9.972 1.00 0.00 H new ATOM 81 N SER A 7 5.736 -16.076 -8.079 1.00 0.00 N ATOM 82 CA SER A 7 4.257 -15.880 -8.083 1.00 0.00 C ATOM 83 C SER A 7 3.898 -14.681 -7.199 1.00 0.00 C ATOM 84 O SER A 7 4.085 -14.704 -5.998 1.00 0.00 O ATOM 85 CB SER A 7 3.576 -17.138 -7.542 1.00 0.00 C ATOM 86 OG SER A 7 4.158 -17.488 -6.292 1.00 0.00 O ATOM 0 H SER A 7 6.058 -16.918 -7.602 1.00 0.00 H new ATOM 0 HA SER A 7 3.917 -15.693 -9.102 1.00 0.00 H new ATOM 0 HB2 SER A 7 2.507 -16.963 -7.422 1.00 0.00 H new ATOM 0 HB3 SER A 7 3.687 -17.959 -8.250 1.00 0.00 H new ATOM 0 HG SER A 7 4.331 -16.675 -5.773 1.00 0.00 H new ATOM 92 N ALA A 8 3.383 -13.635 -7.790 1.00 0.00 N ATOM 93 CA ALA A 8 3.004 -12.428 -6.999 1.00 0.00 C ATOM 94 C ALA A 8 1.783 -11.766 -7.642 1.00 0.00 C ATOM 95 O ALA A 8 1.455 -12.029 -8.785 1.00 0.00 O ATOM 96 CB ALA A 8 4.176 -11.442 -6.982 1.00 0.00 C ATOM 0 H ALA A 8 3.208 -13.565 -8.792 1.00 0.00 H new ATOM 0 HA ALA A 8 2.763 -12.719 -5.977 1.00 0.00 H new ATOM 0 HB1 ALA A 8 3.901 -10.560 -6.404 1.00 0.00 H new ATOM 0 HB2 ALA A 8 5.045 -11.917 -6.527 1.00 0.00 H new ATOM 0 HB3 ALA A 8 4.418 -11.147 -8.003 1.00 0.00 H new ATOM 102 N THR A 9 1.101 -10.913 -6.918 1.00 0.00 N ATOM 103 CA THR A 9 -0.104 -10.241 -7.490 1.00 0.00 C ATOM 104 C THR A 9 0.020 -8.722 -7.339 1.00 0.00 C ATOM 105 O THR A 9 0.763 -8.226 -6.514 1.00 0.00 O ATOM 106 CB THR A 9 -1.357 -10.726 -6.753 1.00 0.00 C ATOM 107 OG1 THR A 9 -1.259 -10.380 -5.377 1.00 0.00 O ATOM 108 CG2 THR A 9 -1.485 -12.246 -6.890 1.00 0.00 C ATOM 0 H THR A 9 1.327 -10.654 -5.958 1.00 0.00 H new ATOM 0 HA THR A 9 -0.181 -10.489 -8.549 1.00 0.00 H new ATOM 0 HB THR A 9 -2.237 -10.252 -7.188 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.060 -10.688 -4.904 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.378 -12.585 -6.364 1.00 0.00 H new ATOM 0 HG22 THR A 9 -1.563 -12.511 -7.944 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.606 -12.725 -6.459 1.00 0.00 H new ATOM 116 N CYS A 10 -0.702 -7.985 -8.145 1.00 0.00 N ATOM 117 CA CYS A 10 -0.640 -6.489 -8.084 1.00 0.00 C ATOM 118 C CYS A 10 -1.120 -5.980 -6.722 1.00 0.00 C ATOM 119 O CYS A 10 -1.783 -6.672 -5.978 1.00 0.00 O ATOM 120 CB CYS A 10 -1.517 -5.915 -9.195 1.00 0.00 C ATOM 121 SG CYS A 10 -1.233 -4.136 -9.355 1.00 0.00 S ATOM 0 H CYS A 10 -1.338 -8.358 -8.850 1.00 0.00 H new ATOM 0 HA CYS A 10 0.392 -6.167 -8.219 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.294 -6.413 -10.139 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -2.567 -6.105 -8.975 1.00 0.00 H new ATOM 126 N GLU A 11 -0.765 -4.768 -6.392 1.00 0.00 N ATOM 127 CA GLU A 11 -1.163 -4.188 -5.077 1.00 0.00 C ATOM 128 C GLU A 11 -2.618 -3.703 -5.117 1.00 0.00 C ATOM 129 O GLU A 11 -3.400 -3.999 -4.233 1.00 0.00 O ATOM 130 CB GLU A 11 -0.230 -3.008 -4.769 1.00 0.00 C ATOM 131 CG GLU A 11 -0.867 -2.080 -3.722 1.00 0.00 C ATOM 132 CD GLU A 11 -1.621 -0.937 -4.419 1.00 0.00 C ATOM 133 OE1 GLU A 11 -1.085 -0.384 -5.367 1.00 0.00 O ATOM 134 OE2 GLU A 11 -2.721 -0.632 -3.989 1.00 0.00 O ATOM 0 H GLU A 11 -0.211 -4.149 -6.983 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.082 -4.950 -4.302 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.727 -3.379 -4.401 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.026 -2.450 -5.683 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.552 -2.647 -3.091 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.096 -1.672 -3.069 1.00 0.00 H new ATOM 141 N ARG A 12 -2.978 -2.940 -6.113 1.00 0.00 N ATOM 142 CA ARG A 12 -4.373 -2.408 -6.186 1.00 0.00 C ATOM 143 C ARG A 12 -5.298 -3.375 -6.927 1.00 0.00 C ATOM 144 O ARG A 12 -6.481 -3.440 -6.651 1.00 0.00 O ATOM 145 CB ARG A 12 -4.355 -1.064 -6.925 1.00 0.00 C ATOM 146 CG ARG A 12 -4.109 -1.288 -8.425 1.00 0.00 C ATOM 147 CD ARG A 12 -5.440 -1.263 -9.188 1.00 0.00 C ATOM 148 NE ARG A 12 -6.186 -0.012 -8.861 1.00 0.00 N ATOM 149 CZ ARG A 12 -7.197 0.366 -9.599 1.00 0.00 C ATOM 150 NH1 ARG A 12 -7.555 -0.341 -10.635 1.00 0.00 N ATOM 151 NH2 ARG A 12 -7.850 1.454 -9.299 1.00 0.00 N ATOM 0 H ARG A 12 -2.367 -2.661 -6.881 1.00 0.00 H new ATOM 0 HA ARG A 12 -4.750 -2.284 -5.171 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.303 -0.547 -6.778 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -3.575 -0.424 -6.512 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -3.445 -0.515 -8.812 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -3.610 -2.244 -8.581 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.256 -1.318 -10.261 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -6.039 -2.134 -8.922 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.906 0.551 -8.058 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.046 -1.192 -10.872 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -8.344 -0.043 -11.208 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -7.572 2.009 -8.490 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -8.639 1.750 -9.874 1.00 0.00 H new ATOM 165 N CYS A 13 -4.785 -4.101 -7.882 1.00 0.00 N ATOM 166 CA CYS A 13 -5.655 -5.032 -8.659 1.00 0.00 C ATOM 167 C CYS A 13 -5.406 -6.485 -8.238 1.00 0.00 C ATOM 168 O CYS A 13 -6.211 -7.355 -8.510 1.00 0.00 O ATOM 169 CB CYS A 13 -5.353 -4.856 -10.149 1.00 0.00 C ATOM 170 SG CYS A 13 -4.240 -6.165 -10.706 1.00 0.00 S ATOM 0 H CYS A 13 -3.803 -4.091 -8.158 1.00 0.00 H new ATOM 0 HA CYS A 13 -6.701 -4.800 -8.461 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -6.279 -4.885 -10.723 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.899 -3.881 -10.325 1.00 0.00 H new ATOM 175 N LYS A 14 -4.306 -6.759 -7.580 1.00 0.00 N ATOM 176 CA LYS A 14 -4.018 -8.161 -7.149 1.00 0.00 C ATOM 177 C LYS A 14 -4.059 -9.088 -8.365 1.00 0.00 C ATOM 178 O LYS A 14 -4.542 -10.203 -8.294 1.00 0.00 O ATOM 179 CB LYS A 14 -5.058 -8.610 -6.114 1.00 0.00 C ATOM 180 CG LYS A 14 -4.999 -7.691 -4.888 1.00 0.00 C ATOM 181 CD LYS A 14 -3.875 -8.148 -3.950 1.00 0.00 C ATOM 182 CE LYS A 14 -4.400 -9.230 -3.003 1.00 0.00 C ATOM 183 NZ LYS A 14 -5.241 -8.601 -1.945 1.00 0.00 N ATOM 0 H LYS A 14 -3.596 -6.073 -7.323 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.027 -8.204 -6.697 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.056 -8.584 -6.552 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -4.867 -9.641 -5.817 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.827 -6.661 -5.202 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.954 -7.709 -4.362 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.038 -8.535 -4.531 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.500 -7.300 -3.377 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -4.985 -9.962 -3.559 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.567 -9.766 -2.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.316 -9.246 -1.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.804 -7.708 -1.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.190 -8.410 -2.324 1.00 0.00 H new ATOM 197 N GLY A 15 -3.544 -8.640 -9.481 1.00 0.00 N ATOM 198 CA GLY A 15 -3.541 -9.494 -10.700 1.00 0.00 C ATOM 199 C GLY A 15 -2.267 -10.335 -10.706 1.00 0.00 C ATOM 200 O GLY A 15 -1.172 -9.814 -10.622 1.00 0.00 O ATOM 0 H GLY A 15 -3.125 -7.717 -9.598 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.420 -10.139 -10.711 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.589 -8.874 -11.595 1.00 0.00 H new ATOM 204 N GLY A 16 -2.403 -11.631 -10.788 1.00 0.00 N ATOM 205 CA GLY A 16 -1.201 -12.512 -10.782 1.00 0.00 C ATOM 206 C GLY A 16 -0.305 -12.189 -11.979 1.00 0.00 C ATOM 207 O GLY A 16 -0.526 -12.661 -13.078 1.00 0.00 O ATOM 0 H GLY A 16 -3.296 -12.118 -10.859 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.645 -12.375 -9.855 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -1.507 -13.558 -10.819 1.00 0.00 H new ATOM 211 N PHE A 17 0.713 -11.396 -11.766 1.00 0.00 N ATOM 212 CA PHE A 17 1.645 -11.045 -12.877 1.00 0.00 C ATOM 213 C PHE A 17 2.972 -11.782 -12.663 1.00 0.00 C ATOM 214 O PHE A 17 3.079 -12.621 -11.787 1.00 0.00 O ATOM 215 CB PHE A 17 1.871 -9.522 -12.923 1.00 0.00 C ATOM 216 CG PHE A 17 1.975 -8.923 -11.528 1.00 0.00 C ATOM 217 CD1 PHE A 17 2.446 -9.684 -10.447 1.00 0.00 C ATOM 218 CD2 PHE A 17 1.618 -7.581 -11.325 1.00 0.00 C ATOM 219 CE1 PHE A 17 2.553 -9.107 -9.179 1.00 0.00 C ATOM 220 CE2 PHE A 17 1.732 -7.009 -10.058 1.00 0.00 C ATOM 221 CZ PHE A 17 2.200 -7.771 -8.985 1.00 0.00 C ATOM 0 H PHE A 17 0.939 -10.975 -10.865 1.00 0.00 H new ATOM 0 HA PHE A 17 1.212 -11.349 -13.830 1.00 0.00 H new ATOM 0 HB2 PHE A 17 2.783 -9.307 -13.480 1.00 0.00 H new ATOM 0 HB3 PHE A 17 1.050 -9.049 -13.461 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.726 -10.716 -10.595 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.254 -6.990 -12.152 1.00 0.00 H new ATOM 0 HE1 PHE A 17 2.910 -9.696 -8.347 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.458 -5.975 -9.906 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.289 -7.326 -8.005 1.00 0.00 H new ATOM 231 N ALA A 18 3.984 -11.497 -13.448 1.00 0.00 N ATOM 232 CA ALA A 18 5.283 -12.216 -13.256 1.00 0.00 C ATOM 233 C ALA A 18 6.347 -11.774 -14.283 1.00 0.00 C ATOM 234 O ALA A 18 7.455 -11.460 -13.898 1.00 0.00 O ATOM 235 CB ALA A 18 5.055 -13.727 -13.391 1.00 0.00 C ATOM 0 H ALA A 18 3.969 -10.809 -14.201 1.00 0.00 H new ATOM 0 HA ALA A 18 5.652 -11.969 -12.260 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.000 -14.252 -13.251 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.342 -14.056 -12.635 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.660 -13.948 -14.383 1.00 0.00 H new ATOM 241 N PRO A 19 6.005 -11.796 -15.558 1.00 0.00 N ATOM 242 CA PRO A 19 6.961 -11.436 -16.630 1.00 0.00 C ATOM 243 C PRO A 19 7.586 -10.047 -16.398 1.00 0.00 C ATOM 244 O PRO A 19 8.607 -9.930 -15.749 1.00 0.00 O ATOM 245 CB PRO A 19 6.138 -11.490 -17.930 1.00 0.00 C ATOM 246 CG PRO A 19 4.716 -11.986 -17.563 1.00 0.00 C ATOM 247 CD PRO A 19 4.659 -12.171 -16.039 1.00 0.00 C ATOM 0 HA PRO A 19 7.810 -12.119 -16.663 1.00 0.00 H new ATOM 0 HB2 PRO A 19 6.092 -10.505 -18.395 1.00 0.00 H new ATOM 0 HB3 PRO A 19 6.604 -12.162 -18.651 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.965 -11.266 -17.888 1.00 0.00 H new ATOM 0 HG3 PRO A 19 4.497 -12.926 -18.070 1.00 0.00 H new ATOM 0 HD2 PRO A 19 3.890 -11.540 -15.593 1.00 0.00 H new ATOM 0 HD3 PRO A 19 4.418 -13.201 -15.775 1.00 0.00 H new ATOM 255 N ALA A 20 7.003 -8.999 -16.925 1.00 0.00 N ATOM 256 CA ALA A 20 7.594 -7.641 -16.730 1.00 0.00 C ATOM 257 C ALA A 20 6.608 -6.577 -17.210 1.00 0.00 C ATOM 258 O ALA A 20 6.327 -5.622 -16.511 1.00 0.00 O ATOM 259 CB ALA A 20 8.894 -7.528 -17.532 1.00 0.00 C ATOM 0 H ALA A 20 6.147 -9.025 -17.479 1.00 0.00 H new ATOM 0 HA ALA A 20 7.804 -7.489 -15.671 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.325 -6.537 -17.389 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.600 -8.284 -17.188 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.683 -7.683 -18.590 1.00 0.00 H new ATOM 265 N GLU A 21 6.068 -6.738 -18.391 1.00 0.00 N ATOM 266 CA GLU A 21 5.087 -5.740 -18.902 1.00 0.00 C ATOM 267 C GLU A 21 3.905 -5.719 -17.941 1.00 0.00 C ATOM 268 O GLU A 21 3.163 -4.760 -17.862 1.00 0.00 O ATOM 269 CB GLU A 21 4.614 -6.146 -20.303 1.00 0.00 C ATOM 270 CG GLU A 21 5.011 -5.065 -21.316 1.00 0.00 C ATOM 271 CD GLU A 21 4.016 -3.902 -21.245 1.00 0.00 C ATOM 272 OE1 GLU A 21 4.107 -3.124 -20.309 1.00 0.00 O ATOM 273 OE2 GLU A 21 3.179 -3.809 -22.128 1.00 0.00 O ATOM 0 H GLU A 21 6.265 -7.516 -19.021 1.00 0.00 H new ATOM 0 HA GLU A 21 5.544 -4.752 -18.966 1.00 0.00 H new ATOM 0 HB2 GLU A 21 5.057 -7.102 -20.584 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.533 -6.282 -20.307 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.019 -4.708 -21.105 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.025 -5.483 -22.322 1.00 0.00 H new ATOM 280 N LYS A 22 3.748 -6.780 -17.197 1.00 0.00 N ATOM 281 CA LYS A 22 2.640 -6.858 -16.215 1.00 0.00 C ATOM 282 C LYS A 22 3.221 -6.705 -14.806 1.00 0.00 C ATOM 283 O LYS A 22 2.570 -6.216 -13.907 1.00 0.00 O ATOM 284 CB LYS A 22 1.939 -8.214 -16.343 1.00 0.00 C ATOM 285 CG LYS A 22 1.334 -8.345 -17.743 1.00 0.00 C ATOM 286 CD LYS A 22 0.580 -9.672 -17.856 1.00 0.00 C ATOM 287 CE LYS A 22 -0.125 -9.749 -19.213 1.00 0.00 C ATOM 288 NZ LYS A 22 0.884 -9.642 -20.305 1.00 0.00 N ATOM 0 H LYS A 22 4.349 -7.603 -17.232 1.00 0.00 H new ATOM 0 HA LYS A 22 1.916 -6.065 -16.403 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.650 -9.021 -16.165 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.158 -8.305 -15.588 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.657 -7.513 -17.936 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.121 -8.297 -18.496 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.273 -10.506 -17.747 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.150 -9.757 -17.051 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.670 -10.689 -19.298 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.857 -8.946 -19.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.639 -10.303 -21.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.892 -8.671 -20.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.826 -9.878 -19.932 1.00 0.00 H new ATOM 302 N ILE A 23 4.448 -7.118 -14.614 1.00 0.00 N ATOM 303 CA ILE A 23 5.079 -6.996 -13.269 1.00 0.00 C ATOM 304 C ILE A 23 5.911 -5.709 -13.213 1.00 0.00 C ATOM 305 O ILE A 23 6.880 -5.549 -13.930 1.00 0.00 O ATOM 306 CB ILE A 23 5.969 -8.232 -13.005 1.00 0.00 C ATOM 307 CG1 ILE A 23 5.345 -9.087 -11.893 1.00 0.00 C ATOM 308 CG2 ILE A 23 7.385 -7.816 -12.577 1.00 0.00 C ATOM 309 CD1 ILE A 23 5.309 -8.298 -10.581 1.00 0.00 C ATOM 0 H ILE A 23 5.039 -7.535 -15.333 1.00 0.00 H new ATOM 0 HA ILE A 23 4.309 -6.949 -12.499 1.00 0.00 H new ATOM 0 HB ILE A 23 6.037 -8.803 -13.931 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.335 -9.384 -12.175 1.00 0.00 H new ATOM 0 HG13 ILE A 23 5.922 -10.002 -11.760 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.988 -8.707 -12.398 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.843 -7.220 -13.366 1.00 0.00 H new ATOM 0 HG23 ILE A 23 7.330 -7.226 -11.662 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.865 -8.913 -9.799 1.00 0.00 H new ATOM 0 HD12 ILE A 23 6.324 -8.023 -10.294 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.713 -7.395 -10.715 1.00 0.00 H new ATOM 321 N VAL A 24 5.544 -4.797 -12.354 1.00 0.00 N ATOM 322 CA VAL A 24 6.314 -3.528 -12.224 1.00 0.00 C ATOM 323 C VAL A 24 6.497 -3.239 -10.740 1.00 0.00 C ATOM 324 O VAL A 24 5.538 -3.103 -10.009 1.00 0.00 O ATOM 325 CB VAL A 24 5.556 -2.361 -12.875 1.00 0.00 C ATOM 326 CG1 VAL A 24 6.542 -1.239 -13.213 1.00 0.00 C ATOM 327 CG2 VAL A 24 4.863 -2.835 -14.158 1.00 0.00 C ATOM 0 H VAL A 24 4.739 -4.878 -11.733 1.00 0.00 H new ATOM 0 HA VAL A 24 7.276 -3.634 -12.725 1.00 0.00 H new ATOM 0 HB VAL A 24 4.803 -1.992 -12.179 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.006 -0.410 -13.675 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.027 -0.893 -12.300 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.296 -1.614 -13.905 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.328 -2.001 -14.612 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.610 -3.211 -14.857 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.158 -3.630 -13.918 1.00 0.00 H new ATOM 337 N ASN A 25 7.714 -3.153 -10.285 1.00 0.00 N ATOM 338 CA ASN A 25 7.947 -2.876 -8.841 1.00 0.00 C ATOM 339 C ASN A 25 8.622 -1.519 -8.693 1.00 0.00 C ATOM 340 O ASN A 25 9.418 -1.112 -9.518 1.00 0.00 O ATOM 341 CB ASN A 25 8.830 -3.973 -8.241 1.00 0.00 C ATOM 342 CG ASN A 25 9.511 -3.461 -6.968 1.00 0.00 C ATOM 343 OD1 ASN A 25 10.722 -3.411 -6.894 1.00 0.00 O ATOM 344 ND2 ASN A 25 8.780 -3.078 -5.958 1.00 0.00 N ATOM 0 H ASN A 25 8.557 -3.262 -10.849 1.00 0.00 H new ATOM 0 HA ASN A 25 6.995 -2.863 -8.311 1.00 0.00 H new ATOM 0 HB2 ASN A 25 8.227 -4.852 -8.012 1.00 0.00 H new ATOM 0 HB3 ASN A 25 9.582 -4.283 -8.966 1.00 0.00 H new ATOM 0 HD21 ASN A 25 9.226 -2.737 -5.106 1.00 0.00 H new ATOM 0 HD22 ASN A 25 7.763 -3.120 -6.020 1.00 0.00 H new ATOM 351 N SER A 26 8.300 -0.815 -7.649 1.00 0.00 N ATOM 352 CA SER A 26 8.903 0.523 -7.430 1.00 0.00 C ATOM 353 C SER A 26 9.020 0.771 -5.927 1.00 0.00 C ATOM 354 O SER A 26 8.067 0.607 -5.190 1.00 0.00 O ATOM 355 CB SER A 26 8.006 1.587 -8.071 1.00 0.00 C ATOM 356 OG SER A 26 7.112 2.105 -7.093 1.00 0.00 O ATOM 0 H SER A 26 7.639 -1.112 -6.932 1.00 0.00 H new ATOM 0 HA SER A 26 9.894 0.572 -7.882 1.00 0.00 H new ATOM 0 HB2 SER A 26 8.615 2.391 -8.484 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.445 1.154 -8.899 1.00 0.00 H new ATOM 0 HG SER A 26 6.424 1.436 -6.891 1.00 0.00 H new ATOM 362 N ASN A 27 10.184 1.159 -5.472 1.00 0.00 N ATOM 363 CA ASN A 27 10.385 1.421 -4.015 1.00 0.00 C ATOM 364 C ASN A 27 10.177 0.128 -3.219 1.00 0.00 C ATOM 365 O ASN A 27 11.124 -0.505 -2.793 1.00 0.00 O ATOM 366 CB ASN A 27 9.399 2.493 -3.540 1.00 0.00 C ATOM 367 CG ASN A 27 9.570 3.761 -4.381 1.00 0.00 C ATOM 368 OD1 ASN A 27 9.244 3.777 -5.552 1.00 0.00 O ATOM 369 ND2 ASN A 27 10.067 4.833 -3.828 1.00 0.00 N ATOM 0 H ASN A 27 11.010 1.307 -6.052 1.00 0.00 H new ATOM 0 HA ASN A 27 11.403 1.777 -3.853 1.00 0.00 H new ATOM 0 HB2 ASN A 27 8.377 2.124 -3.625 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.570 2.717 -2.487 1.00 0.00 H new ATOM 0 HD21 ASN A 27 10.182 5.684 -4.378 1.00 0.00 H new ATOM 0 HD22 ASN A 27 10.341 4.820 -2.845 1.00 0.00 H new ATOM 376 N GLY A 28 8.949 -0.267 -3.012 1.00 0.00 N ATOM 377 CA GLY A 28 8.682 -1.518 -2.240 1.00 0.00 C ATOM 378 C GLY A 28 7.262 -2.028 -2.522 1.00 0.00 C ATOM 379 O GLY A 28 6.720 -2.811 -1.768 1.00 0.00 O ATOM 0 H GLY A 28 8.118 0.222 -3.344 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.410 -2.282 -2.511 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.802 -1.327 -1.174 1.00 0.00 H new ATOM 383 N GLU A 29 6.659 -1.595 -3.600 1.00 0.00 N ATOM 384 CA GLU A 29 5.275 -2.060 -3.931 1.00 0.00 C ATOM 385 C GLU A 29 5.256 -2.637 -5.349 1.00 0.00 C ATOM 386 O GLU A 29 6.167 -2.426 -6.125 1.00 0.00 O ATOM 387 CB GLU A 29 4.308 -0.876 -3.855 1.00 0.00 C ATOM 388 CG GLU A 29 3.308 -1.090 -2.717 1.00 0.00 C ATOM 389 CD GLU A 29 2.216 -0.017 -2.787 1.00 0.00 C ATOM 390 OE1 GLU A 29 1.557 0.064 -3.812 1.00 0.00 O ATOM 391 OE2 GLU A 29 2.058 0.704 -1.818 1.00 0.00 O ATOM 0 H GLU A 29 7.065 -0.939 -4.267 1.00 0.00 H new ATOM 0 HA GLU A 29 4.971 -2.828 -3.220 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.863 0.048 -3.693 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.777 -0.768 -4.801 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.863 -2.082 -2.792 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.819 -1.041 -1.756 1.00 0.00 H new ATOM 398 N LEU A 30 4.219 -3.362 -5.692 1.00 0.00 N ATOM 399 CA LEU A 30 4.130 -3.954 -7.059 1.00 0.00 C ATOM 400 C LEU A 30 2.932 -3.349 -7.795 1.00 0.00 C ATOM 401 O LEU A 30 1.857 -3.210 -7.241 1.00 0.00 O ATOM 402 CB LEU A 30 3.931 -5.470 -6.948 1.00 0.00 C ATOM 403 CG LEU A 30 5.276 -6.199 -7.037 1.00 0.00 C ATOM 404 CD1 LEU A 30 5.888 -5.987 -8.424 1.00 0.00 C ATOM 405 CD2 LEU A 30 6.234 -5.664 -5.965 1.00 0.00 C ATOM 0 H LEU A 30 3.429 -3.569 -5.081 1.00 0.00 H new ATOM 0 HA LEU A 30 5.049 -3.742 -7.606 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.443 -5.710 -6.003 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.271 -5.815 -7.744 1.00 0.00 H new ATOM 0 HG LEU A 30 5.114 -7.264 -6.872 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.844 -6.507 -8.483 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.213 -6.381 -9.184 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.043 -4.922 -8.594 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.188 -6.187 -6.035 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.394 -4.597 -6.120 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.803 -5.827 -4.977 1.00 0.00 H new ATOM 417 N TYR A 31 3.109 -2.994 -9.038 1.00 0.00 N ATOM 418 CA TYR A 31 1.986 -2.402 -9.823 1.00 0.00 C ATOM 419 C TYR A 31 2.029 -2.947 -11.249 1.00 0.00 C ATOM 420 O TYR A 31 3.064 -3.347 -11.744 1.00 0.00 O ATOM 421 CB TYR A 31 2.120 -0.867 -9.893 1.00 0.00 C ATOM 422 CG TYR A 31 2.912 -0.320 -8.722 1.00 0.00 C ATOM 423 CD1 TYR A 31 4.286 -0.581 -8.614 1.00 0.00 C ATOM 424 CD2 TYR A 31 2.275 0.472 -7.760 1.00 0.00 C ATOM 425 CE1 TYR A 31 5.017 -0.051 -7.548 1.00 0.00 C ATOM 426 CE2 TYR A 31 3.009 1.000 -6.690 1.00 0.00 C ATOM 427 CZ TYR A 31 4.380 0.739 -6.586 1.00 0.00 C ATOM 428 OH TYR A 31 5.105 1.267 -5.538 1.00 0.00 O ATOM 0 H TYR A 31 3.988 -3.089 -9.547 1.00 0.00 H new ATOM 0 HA TYR A 31 1.048 -2.663 -9.333 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.609 -0.586 -10.826 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.128 -0.415 -9.904 1.00 0.00 H new ATOM 0 HD1 TYR A 31 4.779 -1.192 -9.355 1.00 0.00 H new ATOM 0 HD2 TYR A 31 1.218 0.676 -7.843 1.00 0.00 H new ATOM 0 HE1 TYR A 31 6.075 -0.252 -7.467 1.00 0.00 H new ATOM 0 HE2 TYR A 31 2.517 1.608 -5.946 1.00 0.00 H new ATOM 0 HH TYR A 31 4.494 1.683 -4.894 1.00 0.00 H new ATOM 438 N HIS A 32 0.914 -2.925 -11.923 1.00 0.00 N ATOM 439 CA HIS A 32 0.874 -3.390 -13.335 1.00 0.00 C ATOM 440 C HIS A 32 1.239 -2.202 -14.206 1.00 0.00 C ATOM 441 O HIS A 32 1.483 -1.118 -13.713 1.00 0.00 O ATOM 442 CB HIS A 32 -0.544 -3.827 -13.712 1.00 0.00 C ATOM 443 CG HIS A 32 -0.719 -5.298 -13.491 1.00 0.00 C ATOM 444 ND1 HIS A 32 -1.508 -5.786 -12.472 1.00 0.00 N ATOM 445 CD2 HIS A 32 -0.236 -6.396 -14.154 1.00 0.00 C ATOM 446 CE1 HIS A 32 -1.479 -7.127 -12.541 1.00 0.00 C ATOM 447 NE2 HIS A 32 -0.718 -7.553 -13.551 1.00 0.00 N ATOM 0 H HIS A 32 0.021 -2.602 -11.552 1.00 0.00 H new ATOM 0 HA HIS A 32 1.557 -4.229 -13.469 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -1.271 -3.275 -13.116 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -0.739 -3.585 -14.757 1.00 0.00 H new ATOM 0 HD2 HIS A 32 0.418 -6.367 -15.013 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -2.007 -7.780 -11.862 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -0.530 -8.518 -13.822 1.00 0.00 H new ATOM 455 N GLU A 33 1.242 -2.370 -15.490 1.00 0.00 N ATOM 456 CA GLU A 33 1.552 -1.216 -16.362 1.00 0.00 C ATOM 457 C GLU A 33 0.324 -0.309 -16.399 1.00 0.00 C ATOM 458 O GLU A 33 0.378 0.808 -16.861 1.00 0.00 O ATOM 459 CB GLU A 33 1.893 -1.704 -17.774 1.00 0.00 C ATOM 460 CG GLU A 33 0.780 -2.634 -18.278 1.00 0.00 C ATOM 461 CD GLU A 33 1.069 -3.053 -19.722 1.00 0.00 C ATOM 462 OE1 GLU A 33 1.096 -2.184 -20.577 1.00 0.00 O ATOM 463 OE2 GLU A 33 1.252 -4.239 -19.947 1.00 0.00 O ATOM 0 H GLU A 33 1.045 -3.248 -15.971 1.00 0.00 H new ATOM 0 HA GLU A 33 2.411 -0.668 -15.975 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.004 -0.854 -18.447 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.847 -2.231 -17.767 1.00 0.00 H new ATOM 0 HG2 GLU A 33 0.713 -3.515 -17.640 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.183 -2.127 -18.223 1.00 0.00 H new ATOM 470 N GLN A 34 -0.783 -0.793 -15.898 1.00 0.00 N ATOM 471 CA GLN A 34 -2.027 0.025 -15.881 1.00 0.00 C ATOM 472 C GLN A 34 -2.742 -0.181 -14.542 1.00 0.00 C ATOM 473 O GLN A 34 -3.904 -0.540 -14.493 1.00 0.00 O ATOM 474 CB GLN A 34 -2.942 -0.408 -17.034 1.00 0.00 C ATOM 475 CG GLN A 34 -2.411 0.154 -18.358 1.00 0.00 C ATOM 476 CD GLN A 34 -2.830 -0.761 -19.510 1.00 0.00 C ATOM 477 OE1 GLN A 34 -4.000 -0.870 -19.821 1.00 0.00 O ATOM 478 NE2 GLN A 34 -1.918 -1.427 -20.163 1.00 0.00 N ATOM 0 H GLN A 34 -0.877 -1.727 -15.498 1.00 0.00 H new ATOM 0 HA GLN A 34 -1.779 1.079 -16.002 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -2.990 -1.496 -17.083 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -3.957 -0.052 -16.858 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.799 1.160 -18.519 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -1.325 0.234 -18.321 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -0.936 -1.336 -19.903 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.187 -2.039 -20.934 1.00 0.00 H new ATOM 487 N CYS A 35 -2.055 0.053 -13.453 1.00 0.00 N ATOM 488 CA CYS A 35 -2.688 -0.120 -12.113 1.00 0.00 C ATOM 489 C CYS A 35 -2.197 0.984 -11.178 1.00 0.00 C ATOM 490 O CYS A 35 -2.627 1.074 -10.048 1.00 0.00 O ATOM 491 CB CYS A 35 -2.306 -1.479 -11.514 1.00 0.00 C ATOM 492 SG CYS A 35 -3.316 -2.795 -12.243 1.00 0.00 S ATOM 0 H CYS A 35 -1.081 0.357 -13.435 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.771 -0.068 -12.227 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -1.250 -1.680 -11.695 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -2.447 -1.460 -10.433 1.00 0.00 H new ATOM 497 N PHE A 36 -1.298 1.828 -11.631 1.00 0.00 N ATOM 498 CA PHE A 36 -0.798 2.917 -10.740 1.00 0.00 C ATOM 499 C PHE A 36 -1.998 3.604 -10.063 1.00 0.00 C ATOM 500 O PHE A 36 -2.906 4.060 -10.726 1.00 0.00 O ATOM 501 CB PHE A 36 -0.030 3.935 -11.581 1.00 0.00 C ATOM 502 CG PHE A 36 1.136 3.279 -12.302 1.00 0.00 C ATOM 503 CD1 PHE A 36 1.520 1.961 -12.006 1.00 0.00 C ATOM 504 CD2 PHE A 36 1.836 4.004 -13.275 1.00 0.00 C ATOM 505 CE1 PHE A 36 2.597 1.377 -12.685 1.00 0.00 C ATOM 506 CE2 PHE A 36 2.913 3.416 -13.951 1.00 0.00 C ATOM 507 CZ PHE A 36 3.291 2.103 -13.656 1.00 0.00 C ATOM 0 H PHE A 36 -0.895 1.808 -12.568 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.138 2.504 -9.977 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.701 4.391 -12.308 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.338 4.737 -10.941 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.985 1.398 -11.255 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.545 5.018 -13.504 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.892 0.363 -12.457 1.00 0.00 H new ATOM 0 HE2 PHE A 36 3.451 3.977 -14.700 1.00 0.00 H new ATOM 0 HZ PHE A 36 4.120 1.650 -14.179 1.00 0.00 H new ATOM 517 N VAL A 37 -2.022 3.662 -8.750 1.00 0.00 N ATOM 518 CA VAL A 37 -3.187 4.300 -8.050 1.00 0.00 C ATOM 519 C VAL A 37 -2.722 5.243 -6.940 1.00 0.00 C ATOM 520 O VAL A 37 -1.611 5.164 -6.460 1.00 0.00 O ATOM 521 CB VAL A 37 -4.076 3.227 -7.412 1.00 0.00 C ATOM 522 CG1 VAL A 37 -5.231 2.882 -8.353 1.00 0.00 C ATOM 523 CG2 VAL A 37 -3.258 1.963 -7.124 1.00 0.00 C ATOM 0 H VAL A 37 -1.292 3.299 -8.137 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.742 4.864 -8.800 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.474 3.616 -6.475 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -5.859 2.119 -7.894 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.826 3.776 -8.542 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.833 2.505 -9.295 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.901 1.209 -6.671 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.846 1.576 -8.056 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.444 2.204 -6.440 1.00 0.00 H new ATOM 533 N CYS A 38 -3.595 6.119 -6.513 1.00 0.00 N ATOM 534 CA CYS A 38 -3.250 7.067 -5.411 1.00 0.00 C ATOM 535 C CYS A 38 -3.610 6.424 -4.067 1.00 0.00 C ATOM 536 O CYS A 38 -4.706 5.947 -3.870 1.00 0.00 O ATOM 537 CB CYS A 38 -4.050 8.358 -5.588 1.00 0.00 C ATOM 538 SG CYS A 38 -3.344 9.674 -4.566 1.00 0.00 S ATOM 0 H CYS A 38 -4.540 6.219 -6.884 1.00 0.00 H new ATOM 0 HA CYS A 38 -2.184 7.293 -5.436 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -4.044 8.658 -6.636 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -5.091 8.191 -5.311 1.00 0.00 H new ATOM 543 N ALA A 39 -2.687 6.397 -3.147 1.00 0.00 N ATOM 544 CA ALA A 39 -2.959 5.773 -1.815 1.00 0.00 C ATOM 545 C ALA A 39 -4.201 6.398 -1.163 1.00 0.00 C ATOM 546 O ALA A 39 -4.777 5.832 -0.254 1.00 0.00 O ATOM 547 CB ALA A 39 -1.750 5.986 -0.900 1.00 0.00 C ATOM 0 H ALA A 39 -1.749 6.782 -3.258 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.139 4.708 -1.961 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.945 5.532 0.072 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.870 5.523 -1.346 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.573 7.054 -0.773 1.00 0.00 H new ATOM 553 N GLN A 40 -4.617 7.557 -1.610 1.00 0.00 N ATOM 554 CA GLN A 40 -5.820 8.204 -0.997 1.00 0.00 C ATOM 555 C GLN A 40 -7.001 8.156 -1.974 1.00 0.00 C ATOM 556 O GLN A 40 -7.981 7.478 -1.734 1.00 0.00 O ATOM 557 CB GLN A 40 -5.506 9.663 -0.649 1.00 0.00 C ATOM 558 CG GLN A 40 -4.057 9.781 -0.160 1.00 0.00 C ATOM 559 CD GLN A 40 -3.839 11.151 0.492 1.00 0.00 C ATOM 560 OE1 GLN A 40 -4.715 11.670 1.153 1.00 0.00 O ATOM 561 NE2 GLN A 40 -2.696 11.759 0.334 1.00 0.00 N ATOM 0 H GLN A 40 -4.180 8.081 -2.368 1.00 0.00 H new ATOM 0 HA GLN A 40 -6.084 7.662 -0.089 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -5.657 10.296 -1.524 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -6.190 10.018 0.122 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.840 8.989 0.556 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -3.370 9.652 -0.996 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -1.959 11.324 -0.221 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.539 12.670 0.766 1.00 0.00 H new ATOM 570 N CYS A 41 -6.922 8.874 -3.065 1.00 0.00 N ATOM 571 CA CYS A 41 -8.053 8.871 -4.045 1.00 0.00 C ATOM 572 C CYS A 41 -8.098 7.536 -4.791 1.00 0.00 C ATOM 573 O CYS A 41 -9.080 7.205 -5.429 1.00 0.00 O ATOM 574 CB CYS A 41 -7.873 10.018 -5.047 1.00 0.00 C ATOM 575 SG CYS A 41 -6.590 9.589 -6.251 1.00 0.00 S ATOM 0 H CYS A 41 -6.127 9.460 -3.320 1.00 0.00 H new ATOM 0 HA CYS A 41 -8.990 9.007 -3.505 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -8.814 10.215 -5.560 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.599 10.932 -4.521 1.00 0.00 H new ATOM 580 N PHE A 42 -7.042 6.766 -4.716 1.00 0.00 N ATOM 581 CA PHE A 42 -7.006 5.446 -5.415 1.00 0.00 C ATOM 582 C PHE A 42 -7.305 5.633 -6.904 1.00 0.00 C ATOM 583 O PHE A 42 -7.617 4.688 -7.604 1.00 0.00 O ATOM 584 CB PHE A 42 -8.034 4.496 -4.792 1.00 0.00 C ATOM 585 CG PHE A 42 -7.329 3.548 -3.848 1.00 0.00 C ATOM 586 CD1 PHE A 42 -6.693 4.045 -2.704 1.00 0.00 C ATOM 587 CD2 PHE A 42 -7.309 2.174 -4.120 1.00 0.00 C ATOM 588 CE1 PHE A 42 -6.038 3.167 -1.832 1.00 0.00 C ATOM 589 CE2 PHE A 42 -6.652 1.298 -3.247 1.00 0.00 C ATOM 590 CZ PHE A 42 -6.018 1.794 -2.103 1.00 0.00 C ATOM 0 H PHE A 42 -6.196 6.998 -4.196 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.011 5.015 -5.305 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.793 5.065 -4.255 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -8.548 3.935 -5.573 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -6.708 5.104 -2.494 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -7.800 1.791 -5.002 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -5.548 3.550 -0.949 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -6.635 0.239 -3.457 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.513 1.118 -1.429 1.00 0.00 H new ATOM 600 N GLN A 43 -7.194 6.838 -7.399 1.00 0.00 N ATOM 601 CA GLN A 43 -7.451 7.070 -8.846 1.00 0.00 C ATOM 602 C GLN A 43 -6.491 6.184 -9.637 1.00 0.00 C ATOM 603 O GLN A 43 -5.298 6.192 -9.398 1.00 0.00 O ATOM 604 CB GLN A 43 -7.204 8.545 -9.186 1.00 0.00 C ATOM 605 CG GLN A 43 -8.009 8.934 -10.430 1.00 0.00 C ATOM 606 CD GLN A 43 -7.299 8.428 -11.687 1.00 0.00 C ATOM 607 OE1 GLN A 43 -6.112 8.635 -11.854 1.00 0.00 O ATOM 608 NE2 GLN A 43 -7.979 7.772 -12.585 1.00 0.00 N ATOM 0 H GLN A 43 -6.937 7.667 -6.864 1.00 0.00 H new ATOM 0 HA GLN A 43 -8.484 6.828 -9.096 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -7.492 9.175 -8.344 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -6.142 8.714 -9.362 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -9.012 8.510 -10.372 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -8.123 10.017 -10.477 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -8.974 7.598 -12.445 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -7.516 7.432 -13.428 1.00 0.00 H new ATOM 617 N GLN A 44 -7.004 5.403 -10.552 1.00 0.00 N ATOM 618 CA GLN A 44 -6.123 4.492 -11.341 1.00 0.00 C ATOM 619 C GLN A 44 -5.413 5.272 -12.445 1.00 0.00 C ATOM 620 O GLN A 44 -5.965 6.172 -13.045 1.00 0.00 O ATOM 621 CB GLN A 44 -6.942 3.349 -11.968 1.00 0.00 C ATOM 622 CG GLN A 44 -8.432 3.495 -11.631 1.00 0.00 C ATOM 623 CD GLN A 44 -9.041 4.636 -12.451 1.00 0.00 C ATOM 624 OE1 GLN A 44 -9.736 5.560 -11.847 1.00 0.00 O flip ATOM 625 NE2 GLN A 44 -8.882 4.688 -13.655 1.00 0.00 N flip ATOM 0 H GLN A 44 -7.996 5.357 -10.787 1.00 0.00 H new ATOM 0 HA GLN A 44 -5.383 4.066 -10.663 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.808 3.351 -13.050 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -6.575 2.390 -11.603 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -8.955 2.563 -11.844 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -8.555 3.694 -10.566 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -8.339 3.967 -14.129 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -9.292 5.453 -14.191 1.00 0.00 H new ATOM 634 N PHE A 45 -4.187 4.919 -12.713 1.00 0.00 N ATOM 635 CA PHE A 45 -3.405 5.613 -13.773 1.00 0.00 C ATOM 636 C PHE A 45 -2.706 4.546 -14.631 1.00 0.00 C ATOM 637 O PHE A 45 -2.048 3.673 -14.100 1.00 0.00 O ATOM 638 CB PHE A 45 -2.361 6.523 -13.106 1.00 0.00 C ATOM 639 CG PHE A 45 -2.189 7.790 -13.910 1.00 0.00 C ATOM 640 CD1 PHE A 45 -1.460 7.769 -15.106 1.00 0.00 C ATOM 641 CD2 PHE A 45 -2.755 8.988 -13.458 1.00 0.00 C ATOM 642 CE1 PHE A 45 -1.299 8.943 -15.849 1.00 0.00 C ATOM 643 CE2 PHE A 45 -2.593 10.164 -14.201 1.00 0.00 C ATOM 644 CZ PHE A 45 -1.866 10.141 -15.396 1.00 0.00 C ATOM 0 H PHE A 45 -3.687 4.169 -12.236 1.00 0.00 H new ATOM 0 HA PHE A 45 -4.056 6.221 -14.402 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.675 6.767 -12.091 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -1.408 6.000 -13.028 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.022 6.845 -15.455 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.317 9.005 -12.536 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.738 8.926 -16.772 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.029 11.088 -13.852 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.742 11.048 -15.970 1.00 0.00 H new ATOM 654 N PRO A 46 -2.880 4.635 -15.932 1.00 0.00 N ATOM 655 CA PRO A 46 -2.275 3.669 -16.875 1.00 0.00 C ATOM 656 C PRO A 46 -0.744 3.681 -16.758 1.00 0.00 C ATOM 657 O PRO A 46 -0.190 4.138 -15.777 1.00 0.00 O ATOM 658 CB PRO A 46 -2.719 4.147 -18.264 1.00 0.00 C ATOM 659 CG PRO A 46 -3.588 5.416 -18.075 1.00 0.00 C ATOM 660 CD PRO A 46 -3.688 5.694 -16.567 1.00 0.00 C ATOM 0 HA PRO A 46 -2.590 2.645 -16.673 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -1.852 4.367 -18.887 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -3.287 3.368 -18.772 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -3.141 6.266 -18.592 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -4.579 5.268 -18.503 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -3.305 6.684 -16.321 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -4.723 5.659 -16.226 1.00 0.00 H new ATOM 668 N GLU A 47 -0.060 3.185 -17.757 1.00 0.00 N ATOM 669 CA GLU A 47 1.432 3.170 -17.716 1.00 0.00 C ATOM 670 C GLU A 47 1.933 4.597 -17.922 1.00 0.00 C ATOM 671 O GLU A 47 2.724 4.876 -18.803 1.00 0.00 O ATOM 672 CB GLU A 47 1.972 2.257 -18.827 1.00 0.00 C ATOM 673 CG GLU A 47 3.264 1.577 -18.356 1.00 0.00 C ATOM 674 CD GLU A 47 4.354 2.631 -18.137 1.00 0.00 C ATOM 675 OE1 GLU A 47 5.005 2.992 -19.103 1.00 0.00 O ATOM 676 OE2 GLU A 47 4.519 3.059 -17.006 1.00 0.00 O ATOM 0 H GLU A 47 -0.472 2.789 -18.602 1.00 0.00 H new ATOM 0 HA GLU A 47 1.779 2.790 -16.755 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.227 1.504 -19.086 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.164 2.839 -19.728 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.082 1.031 -17.430 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.593 0.848 -19.097 1.00 0.00 H new ATOM 683 N GLY A 48 1.461 5.504 -17.115 1.00 0.00 N ATOM 684 CA GLY A 48 1.888 6.928 -17.254 1.00 0.00 C ATOM 685 C GLY A 48 2.856 7.293 -16.131 1.00 0.00 C ATOM 686 O GLY A 48 3.328 8.411 -16.052 1.00 0.00 O ATOM 0 H GLY A 48 0.796 5.323 -16.363 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.366 7.080 -18.222 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.017 7.583 -17.222 1.00 0.00 H new ATOM 690 N LEU A 49 3.147 6.362 -15.257 1.00 0.00 N ATOM 691 CA LEU A 49 4.076 6.653 -14.123 1.00 0.00 C ATOM 692 C LEU A 49 3.463 7.741 -13.246 1.00 0.00 C ATOM 693 O LEU A 49 2.506 8.393 -13.620 1.00 0.00 O ATOM 694 CB LEU A 49 5.433 7.121 -14.662 1.00 0.00 C ATOM 695 CG LEU A 49 6.537 6.772 -13.654 1.00 0.00 C ATOM 696 CD1 LEU A 49 7.573 5.861 -14.319 1.00 0.00 C ATOM 697 CD2 LEU A 49 7.221 8.056 -13.175 1.00 0.00 C ATOM 0 H LEU A 49 2.780 5.411 -15.280 1.00 0.00 H new ATOM 0 HA LEU A 49 4.228 5.748 -13.535 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.638 6.645 -15.621 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.414 8.197 -14.838 1.00 0.00 H new ATOM 0 HG LEU A 49 6.095 6.256 -12.802 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.355 5.615 -13.601 1.00 0.00 H new ATOM 0 HD12 LEU A 49 7.089 4.945 -14.656 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.013 6.374 -15.174 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.004 7.806 -12.460 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.660 8.574 -14.028 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.486 8.703 -12.697 1.00 0.00 H new ATOM 709 N PHE A 50 3.997 7.931 -12.076 1.00 0.00 N ATOM 710 CA PHE A 50 3.445 8.957 -11.161 1.00 0.00 C ATOM 711 C PHE A 50 4.319 9.033 -9.907 1.00 0.00 C ATOM 712 O PHE A 50 5.519 9.203 -10.001 1.00 0.00 O ATOM 713 CB PHE A 50 1.981 8.617 -10.804 1.00 0.00 C ATOM 714 CG PHE A 50 1.839 7.261 -10.116 1.00 0.00 C ATOM 715 CD1 PHE A 50 2.625 6.154 -10.482 1.00 0.00 C ATOM 716 CD2 PHE A 50 0.884 7.115 -9.105 1.00 0.00 C ATOM 717 CE1 PHE A 50 2.451 4.926 -9.834 1.00 0.00 C ATOM 718 CE2 PHE A 50 0.714 5.893 -8.463 1.00 0.00 C ATOM 719 CZ PHE A 50 1.496 4.796 -8.823 1.00 0.00 C ATOM 0 H PHE A 50 4.798 7.415 -11.713 1.00 0.00 H new ATOM 0 HA PHE A 50 3.450 9.931 -11.650 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.581 9.394 -10.152 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.379 8.623 -11.713 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.364 6.252 -11.264 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.273 7.959 -8.820 1.00 0.00 H new ATOM 0 HE1 PHE A 50 3.056 4.077 -10.116 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.026 5.793 -7.683 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.364 3.849 -8.322 1.00 0.00 H new ATOM 729 N TYR A 51 3.745 8.915 -8.740 1.00 0.00 N ATOM 730 CA TYR A 51 4.571 8.990 -7.504 1.00 0.00 C ATOM 731 C TYR A 51 4.445 7.686 -6.711 1.00 0.00 C ATOM 732 O TYR A 51 4.194 7.688 -5.520 1.00 0.00 O ATOM 733 CB TYR A 51 4.114 10.182 -6.655 1.00 0.00 C ATOM 734 CG TYR A 51 5.109 11.306 -6.806 1.00 0.00 C ATOM 735 CD1 TYR A 51 6.343 11.237 -6.150 1.00 0.00 C ATOM 736 CD2 TYR A 51 4.802 12.415 -7.607 1.00 0.00 C ATOM 737 CE1 TYR A 51 7.271 12.274 -6.292 1.00 0.00 C ATOM 738 CE2 TYR A 51 5.731 13.453 -7.748 1.00 0.00 C ATOM 739 CZ TYR A 51 6.966 13.382 -7.090 1.00 0.00 C ATOM 740 OH TYR A 51 7.880 14.406 -7.230 1.00 0.00 O ATOM 0 H TYR A 51 2.746 8.771 -8.591 1.00 0.00 H new ATOM 0 HA TYR A 51 5.618 9.129 -7.774 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.124 10.511 -6.971 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.033 9.889 -5.608 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.579 10.382 -5.533 1.00 0.00 H new ATOM 0 HD2 TYR A 51 3.850 12.469 -8.115 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.223 12.219 -5.785 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.496 14.308 -8.364 1.00 0.00 H new ATOM 0 HH TYR A 51 7.510 15.097 -7.819 1.00 0.00 H new ATOM 750 N GLU A 52 4.635 6.568 -7.364 1.00 0.00 N ATOM 751 CA GLU A 52 4.545 5.262 -6.648 1.00 0.00 C ATOM 752 C GLU A 52 5.640 5.209 -5.570 1.00 0.00 C ATOM 753 O GLU A 52 6.740 5.687 -5.775 1.00 0.00 O ATOM 754 CB GLU A 52 4.742 4.114 -7.651 1.00 0.00 C ATOM 755 CG GLU A 52 5.993 4.367 -8.510 1.00 0.00 C ATOM 756 CD GLU A 52 5.603 5.065 -9.817 1.00 0.00 C ATOM 757 OE1 GLU A 52 5.577 6.285 -9.832 1.00 0.00 O ATOM 758 OE2 GLU A 52 5.346 4.367 -10.785 1.00 0.00 O ATOM 0 H GLU A 52 4.848 6.504 -8.359 1.00 0.00 H new ATOM 0 HA GLU A 52 3.566 5.160 -6.179 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.843 3.169 -7.118 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.864 4.026 -8.291 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.704 4.982 -7.958 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.491 3.422 -8.728 1.00 0.00 H new ATOM 765 N PHE A 53 5.348 4.653 -4.419 1.00 0.00 N ATOM 766 CA PHE A 53 6.379 4.596 -3.336 1.00 0.00 C ATOM 767 C PHE A 53 6.350 3.231 -2.634 1.00 0.00 C ATOM 768 O PHE A 53 5.514 2.392 -2.909 1.00 0.00 O ATOM 769 CB PHE A 53 6.097 5.706 -2.315 1.00 0.00 C ATOM 770 CG PHE A 53 7.243 6.692 -2.311 1.00 0.00 C ATOM 771 CD1 PHE A 53 7.325 7.679 -3.303 1.00 0.00 C ATOM 772 CD2 PHE A 53 8.224 6.619 -1.315 1.00 0.00 C ATOM 773 CE1 PHE A 53 8.389 8.590 -3.298 1.00 0.00 C ATOM 774 CE2 PHE A 53 9.287 7.530 -1.310 1.00 0.00 C ATOM 775 CZ PHE A 53 9.370 8.514 -2.301 1.00 0.00 C ATOM 0 H PHE A 53 4.446 4.239 -4.184 1.00 0.00 H new ATOM 0 HA PHE A 53 7.366 4.737 -3.777 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.166 6.215 -2.564 1.00 0.00 H new ATOM 0 HB3 PHE A 53 5.970 5.277 -1.321 1.00 0.00 H new ATOM 0 HD1 PHE A 53 6.568 7.737 -4.071 1.00 0.00 H new ATOM 0 HD2 PHE A 53 8.161 5.859 -0.550 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.453 9.350 -4.062 1.00 0.00 H new ATOM 0 HE2 PHE A 53 10.043 7.473 -0.541 1.00 0.00 H new ATOM 0 HZ PHE A 53 10.191 9.216 -2.297 1.00 0.00 H new ATOM 785 N GLU A 54 7.269 3.005 -1.728 1.00 0.00 N ATOM 786 CA GLU A 54 7.314 1.700 -1.002 1.00 0.00 C ATOM 787 C GLU A 54 6.181 1.643 0.022 1.00 0.00 C ATOM 788 O GLU A 54 6.072 2.490 0.889 1.00 0.00 O ATOM 789 CB GLU A 54 8.660 1.550 -0.284 1.00 0.00 C ATOM 790 CG GLU A 54 9.007 2.847 0.457 1.00 0.00 C ATOM 791 CD GLU A 54 10.309 3.428 -0.102 1.00 0.00 C ATOM 792 OE1 GLU A 54 11.360 2.906 0.232 1.00 0.00 O ATOM 793 OE2 GLU A 54 10.232 4.385 -0.856 1.00 0.00 O ATOM 0 H GLU A 54 7.993 3.672 -1.460 1.00 0.00 H new ATOM 0 HA GLU A 54 7.197 0.888 -1.720 1.00 0.00 H new ATOM 0 HB2 GLU A 54 8.615 0.720 0.421 1.00 0.00 H new ATOM 0 HB3 GLU A 54 9.442 1.313 -1.006 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.198 3.569 0.345 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.114 2.650 1.524 1.00 0.00 H new ATOM 800 N GLY A 55 5.334 0.652 -0.075 1.00 0.00 N ATOM 801 CA GLY A 55 4.201 0.541 0.890 1.00 0.00 C ATOM 802 C GLY A 55 3.278 1.751 0.731 1.00 0.00 C ATOM 803 O GLY A 55 2.341 1.932 1.484 1.00 0.00 O ATOM 0 H GLY A 55 5.378 -0.084 -0.780 1.00 0.00 H new ATOM 0 HA2 GLY A 55 3.646 -0.380 0.712 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.581 0.491 1.910 1.00 0.00 H new ATOM 807 N ARG A 56 3.541 2.580 -0.248 1.00 0.00 N ATOM 808 CA ARG A 56 2.689 3.783 -0.469 1.00 0.00 C ATOM 809 C ARG A 56 2.596 4.058 -1.969 1.00 0.00 C ATOM 810 O ARG A 56 3.290 3.459 -2.765 1.00 0.00 O ATOM 811 CB ARG A 56 3.315 4.993 0.234 1.00 0.00 C ATOM 812 CG ARG A 56 3.321 4.765 1.748 1.00 0.00 C ATOM 813 CD ARG A 56 3.795 6.036 2.458 1.00 0.00 C ATOM 814 NE ARG A 56 4.852 5.697 3.468 1.00 0.00 N ATOM 815 CZ ARG A 56 4.705 4.694 4.300 1.00 0.00 C ATOM 816 NH1 ARG A 56 3.590 4.017 4.338 1.00 0.00 N ATOM 817 NH2 ARG A 56 5.674 4.387 5.117 1.00 0.00 N ATOM 0 H ARG A 56 4.313 2.473 -0.905 1.00 0.00 H new ATOM 0 HA ARG A 56 1.693 3.607 -0.063 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.333 5.147 -0.124 1.00 0.00 H new ATOM 0 HB3 ARG A 56 2.753 5.896 -0.005 1.00 0.00 H new ATOM 0 HG2 ARG A 56 2.321 4.497 2.089 1.00 0.00 H new ATOM 0 HG3 ARG A 56 3.977 3.931 1.998 1.00 0.00 H new ATOM 0 HD2 ARG A 56 4.191 6.743 1.729 1.00 0.00 H new ATOM 0 HD3 ARG A 56 2.953 6.523 2.950 1.00 0.00 H new ATOM 0 HE ARG A 56 5.703 6.258 3.508 1.00 0.00 H new ATOM 0 HH11 ARG A 56 2.821 4.266 3.716 1.00 0.00 H new ATOM 0 HH12 ARG A 56 3.488 3.239 4.990 1.00 0.00 H new ATOM 0 HH21 ARG A 56 6.540 4.926 5.106 1.00 0.00 H new ATOM 0 HH22 ARG A 56 5.566 3.608 5.767 1.00 0.00 H new ATOM 831 N LYS A 57 1.738 4.954 -2.363 1.00 0.00 N ATOM 832 CA LYS A 57 1.594 5.266 -3.812 1.00 0.00 C ATOM 833 C LYS A 57 0.788 6.553 -3.964 1.00 0.00 C ATOM 834 O LYS A 57 -0.202 6.753 -3.290 1.00 0.00 O ATOM 835 CB LYS A 57 0.870 4.114 -4.518 1.00 0.00 C ATOM 836 CG LYS A 57 0.052 3.311 -3.499 1.00 0.00 C ATOM 837 CD LYS A 57 -1.024 2.503 -4.223 1.00 0.00 C ATOM 838 CE LYS A 57 -2.315 3.319 -4.306 1.00 0.00 C ATOM 839 NZ LYS A 57 -3.337 2.732 -3.395 1.00 0.00 N ATOM 0 H LYS A 57 1.128 5.486 -1.743 1.00 0.00 H new ATOM 0 HA LYS A 57 2.579 5.394 -4.262 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.215 4.507 -5.296 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.594 3.464 -5.010 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.706 2.643 -2.939 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.410 3.985 -2.777 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.683 2.241 -5.225 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.207 1.568 -3.694 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.120 4.355 -4.031 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.687 3.326 -5.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.142 3.385 -3.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.667 1.825 -3.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.917 2.575 -2.457 1.00 0.00 H new ATOM 853 N TYR A 58 1.211 7.435 -4.827 1.00 0.00 N ATOM 854 CA TYR A 58 0.472 8.718 -5.001 1.00 0.00 C ATOM 855 C TYR A 58 0.500 9.145 -6.463 1.00 0.00 C ATOM 856 O TYR A 58 1.495 9.002 -7.143 1.00 0.00 O ATOM 857 CB TYR A 58 1.145 9.794 -4.157 1.00 0.00 C ATOM 858 CG TYR A 58 0.963 9.462 -2.698 1.00 0.00 C ATOM 859 CD1 TYR A 58 -0.273 9.681 -2.073 1.00 0.00 C ATOM 860 CD2 TYR A 58 2.032 8.929 -1.971 1.00 0.00 C ATOM 861 CE1 TYR A 58 -0.434 9.366 -0.719 1.00 0.00 C ATOM 862 CE2 TYR A 58 1.871 8.615 -0.618 1.00 0.00 C ATOM 863 CZ TYR A 58 0.638 8.833 0.009 1.00 0.00 C ATOM 864 OH TYR A 58 0.479 8.524 1.344 1.00 0.00 O ATOM 0 H TYR A 58 2.035 7.324 -5.418 1.00 0.00 H new ATOM 0 HA TYR A 58 -0.563 8.582 -4.688 1.00 0.00 H new ATOM 0 HB2 TYR A 58 2.206 9.853 -4.400 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.713 10.770 -4.377 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -1.099 10.092 -2.635 1.00 0.00 H new ATOM 0 HD2 TYR A 58 2.983 8.760 -2.455 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -1.385 9.534 -0.235 1.00 0.00 H new ATOM 0 HE2 TYR A 58 2.697 8.204 -0.057 1.00 0.00 H new ATOM 0 HH TYR A 58 1.318 8.163 1.699 1.00 0.00 H new ATOM 874 N CYS A 59 -0.586 9.685 -6.941 1.00 0.00 N ATOM 875 CA CYS A 59 -0.632 10.148 -8.353 1.00 0.00 C ATOM 876 C CYS A 59 -0.420 11.656 -8.384 1.00 0.00 C ATOM 877 O CYS A 59 -0.468 12.319 -7.364 1.00 0.00 O ATOM 878 CB CYS A 59 -1.984 9.782 -8.971 1.00 0.00 C ATOM 879 SG CYS A 59 -3.321 10.584 -8.050 1.00 0.00 S ATOM 0 H CYS A 59 -1.446 9.826 -6.411 1.00 0.00 H new ATOM 0 HA CYS A 59 0.154 9.664 -8.932 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.012 10.093 -10.015 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -2.119 8.700 -8.957 1.00 0.00 H new ATOM 884 N GLU A 60 -0.166 12.201 -9.544 1.00 0.00 N ATOM 885 CA GLU A 60 0.069 13.668 -9.649 1.00 0.00 C ATOM 886 C GLU A 60 -1.044 14.428 -8.922 1.00 0.00 C ATOM 887 O GLU A 60 -0.885 15.577 -8.569 1.00 0.00 O ATOM 888 CB GLU A 60 0.085 14.075 -11.125 1.00 0.00 C ATOM 889 CG GLU A 60 0.658 15.489 -11.263 1.00 0.00 C ATOM 890 CD GLU A 60 1.228 15.676 -12.672 1.00 0.00 C ATOM 891 OE1 GLU A 60 2.340 15.231 -12.905 1.00 0.00 O ATOM 892 OE2 GLU A 60 0.543 16.262 -13.494 1.00 0.00 O ATOM 0 H GLU A 60 -0.111 11.690 -10.425 1.00 0.00 H new ATOM 0 HA GLU A 60 1.027 13.912 -9.190 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.686 13.371 -11.700 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.925 14.040 -11.533 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.120 16.228 -11.073 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.439 15.650 -10.519 1.00 0.00 H new ATOM 899 N HIS A 61 -2.167 13.798 -8.692 1.00 0.00 N ATOM 900 CA HIS A 61 -3.282 14.501 -7.990 1.00 0.00 C ATOM 901 C HIS A 61 -2.879 14.812 -6.542 1.00 0.00 C ATOM 902 O HIS A 61 -2.679 15.953 -6.181 1.00 0.00 O ATOM 903 CB HIS A 61 -4.546 13.622 -8.016 1.00 0.00 C ATOM 904 CG HIS A 61 -5.257 13.688 -6.686 1.00 0.00 C ATOM 905 ND1 HIS A 61 -5.331 12.600 -5.823 1.00 0.00 N ATOM 906 CD2 HIS A 61 -5.909 14.716 -6.050 1.00 0.00 C ATOM 907 CE1 HIS A 61 -6.004 13.002 -4.728 1.00 0.00 C ATOM 908 NE2 HIS A 61 -6.379 14.281 -4.816 1.00 0.00 N ATOM 0 H HIS A 61 -2.360 12.832 -8.958 1.00 0.00 H new ATOM 0 HA HIS A 61 -3.493 15.440 -8.501 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -5.214 13.957 -8.810 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -4.275 12.590 -8.241 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -6.037 15.712 -6.448 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -6.215 12.367 -3.881 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -6.899 14.823 -4.126 1.00 0.00 H new ATOM 916 N ASP A 62 -2.780 13.814 -5.706 1.00 0.00 N ATOM 917 CA ASP A 62 -2.411 14.070 -4.285 1.00 0.00 C ATOM 918 C ASP A 62 -1.078 14.809 -4.227 1.00 0.00 C ATOM 919 O ASP A 62 -0.884 15.693 -3.416 1.00 0.00 O ATOM 920 CB ASP A 62 -2.292 12.742 -3.533 1.00 0.00 C ATOM 921 CG ASP A 62 -3.476 12.589 -2.577 1.00 0.00 C ATOM 922 OD1 ASP A 62 -3.630 13.435 -1.712 1.00 0.00 O ATOM 923 OD2 ASP A 62 -4.210 11.629 -2.726 1.00 0.00 O ATOM 0 H ASP A 62 -2.938 12.835 -5.945 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.185 14.680 -3.819 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -2.272 11.912 -4.240 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -1.355 12.710 -2.977 1.00 0.00 H new ATOM 928 N PHE A 63 -0.158 14.451 -5.079 1.00 0.00 N ATOM 929 CA PHE A 63 1.165 15.127 -5.068 1.00 0.00 C ATOM 930 C PHE A 63 1.015 16.588 -5.508 1.00 0.00 C ATOM 931 O PHE A 63 1.627 17.472 -4.934 1.00 0.00 O ATOM 932 CB PHE A 63 2.131 14.382 -5.992 1.00 0.00 C ATOM 933 CG PHE A 63 3.382 14.036 -5.217 1.00 0.00 C ATOM 934 CD1 PHE A 63 3.446 12.838 -4.495 1.00 0.00 C ATOM 935 CD2 PHE A 63 4.471 14.916 -5.211 1.00 0.00 C ATOM 936 CE1 PHE A 63 4.600 12.519 -3.769 1.00 0.00 C ATOM 937 CE2 PHE A 63 5.623 14.599 -4.484 1.00 0.00 C ATOM 938 CZ PHE A 63 5.689 13.400 -3.762 1.00 0.00 C ATOM 0 H PHE A 63 -0.267 13.720 -5.781 1.00 0.00 H new ATOM 0 HA PHE A 63 1.568 15.114 -4.055 1.00 0.00 H new ATOM 0 HB2 PHE A 63 1.662 13.476 -6.375 1.00 0.00 H new ATOM 0 HB3 PHE A 63 2.381 15.001 -6.854 1.00 0.00 H new ATOM 0 HD1 PHE A 63 2.605 12.160 -4.498 1.00 0.00 H new ATOM 0 HD2 PHE A 63 4.421 15.840 -5.768 1.00 0.00 H new ATOM 0 HE1 PHE A 63 4.650 11.594 -3.214 1.00 0.00 H new ATOM 0 HE2 PHE A 63 6.462 15.279 -4.479 1.00 0.00 H new ATOM 0 HZ PHE A 63 6.579 13.155 -3.201 1.00 0.00 H new ATOM 948 N GLN A 64 0.202 16.873 -6.501 1.00 0.00 N ATOM 949 CA GLN A 64 0.042 18.298 -6.918 1.00 0.00 C ATOM 950 C GLN A 64 -0.825 19.012 -5.881 1.00 0.00 C ATOM 951 O GLN A 64 -0.843 20.225 -5.798 1.00 0.00 O ATOM 952 CB GLN A 64 -0.600 18.392 -8.312 1.00 0.00 C ATOM 953 CG GLN A 64 -2.116 18.156 -8.229 1.00 0.00 C ATOM 954 CD GLN A 64 -2.858 19.444 -8.594 1.00 0.00 C ATOM 955 OE1 GLN A 64 -3.427 19.550 -9.662 1.00 0.00 O ATOM 956 NE2 GLN A 64 -2.876 20.436 -7.746 1.00 0.00 N ATOM 0 H GLN A 64 -0.346 16.193 -7.029 1.00 0.00 H new ATOM 0 HA GLN A 64 1.021 18.773 -6.975 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.403 19.374 -8.743 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -0.148 17.655 -8.976 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -2.407 17.353 -8.906 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -2.390 17.839 -7.223 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -2.399 20.349 -6.849 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -3.367 21.299 -7.981 1.00 0.00 H new ATOM 965 N MET A 65 -1.521 18.257 -5.074 1.00 0.00 N ATOM 966 CA MET A 65 -2.367 18.868 -4.014 1.00 0.00 C ATOM 967 C MET A 65 -1.429 19.516 -3.004 1.00 0.00 C ATOM 968 O MET A 65 -1.667 20.606 -2.520 1.00 0.00 O ATOM 969 CB MET A 65 -3.207 17.782 -3.331 1.00 0.00 C ATOM 970 CG MET A 65 -4.428 18.417 -2.660 1.00 0.00 C ATOM 971 SD MET A 65 -3.956 19.071 -1.039 1.00 0.00 S ATOM 972 CE MET A 65 -5.263 20.315 -0.903 1.00 0.00 C ATOM 0 H MET A 65 -1.538 17.238 -5.105 1.00 0.00 H new ATOM 0 HA MET A 65 -3.047 19.608 -4.437 1.00 0.00 H new ATOM 0 HB2 MET A 65 -3.527 17.042 -4.064 1.00 0.00 H new ATOM 0 HB3 MET A 65 -2.605 17.256 -2.590 1.00 0.00 H new ATOM 0 HG2 MET A 65 -4.824 19.217 -3.285 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.221 17.677 -2.548 1.00 0.00 H new ATOM 0 HE1 MET A 65 -5.160 20.849 0.042 1.00 0.00 H new ATOM 0 HE2 MET A 65 -5.181 21.021 -1.729 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.236 19.826 -0.940 1.00 0.00 H new ATOM 982 N LEU A 66 -0.338 18.855 -2.715 1.00 0.00 N ATOM 983 CA LEU A 66 0.659 19.428 -1.771 1.00 0.00 C ATOM 984 C LEU A 66 1.373 20.559 -2.505 1.00 0.00 C ATOM 985 O LEU A 66 1.846 21.510 -1.913 1.00 0.00 O ATOM 986 CB LEU A 66 1.687 18.358 -1.376 1.00 0.00 C ATOM 987 CG LEU A 66 1.006 16.992 -1.244 1.00 0.00 C ATOM 988 CD1 LEU A 66 2.023 15.958 -0.758 1.00 0.00 C ATOM 989 CD2 LEU A 66 -0.150 17.080 -0.241 1.00 0.00 C ATOM 0 H LEU A 66 -0.097 17.940 -3.095 1.00 0.00 H new ATOM 0 HA LEU A 66 0.167 19.787 -0.867 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.477 18.308 -2.126 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.160 18.629 -0.432 1.00 0.00 H new ATOM 0 HG LEU A 66 0.616 16.692 -2.217 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.538 14.986 -0.664 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.841 15.887 -1.475 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.416 16.262 0.212 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.630 16.105 -0.152 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.235 17.385 0.732 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.878 17.812 -0.589 1.00 0.00 H new ATOM 1001 N PHE A 67 1.439 20.444 -3.808 1.00 0.00 N ATOM 1002 CA PHE A 67 2.104 21.482 -4.643 1.00 0.00 C ATOM 1003 C PHE A 67 3.569 21.631 -4.214 1.00 0.00 C ATOM 1004 O PHE A 67 3.954 22.613 -3.610 1.00 0.00 O ATOM 1005 CB PHE A 67 1.370 22.819 -4.485 1.00 0.00 C ATOM 1006 CG PHE A 67 1.628 23.684 -5.698 1.00 0.00 C ATOM 1007 CD1 PHE A 67 0.861 23.511 -6.857 1.00 0.00 C ATOM 1008 CD2 PHE A 67 2.636 24.657 -5.664 1.00 0.00 C ATOM 1009 CE1 PHE A 67 1.101 24.310 -7.982 1.00 0.00 C ATOM 1010 CE2 PHE A 67 2.874 25.456 -6.788 1.00 0.00 C ATOM 1011 CZ PHE A 67 2.108 25.283 -7.947 1.00 0.00 C ATOM 0 H PHE A 67 1.052 19.660 -4.334 1.00 0.00 H new ATOM 0 HA PHE A 67 2.071 21.180 -5.690 1.00 0.00 H new ATOM 0 HB2 PHE A 67 0.300 22.647 -4.369 1.00 0.00 H new ATOM 0 HB3 PHE A 67 1.710 23.328 -3.583 1.00 0.00 H new ATOM 0 HD1 PHE A 67 0.084 22.761 -6.883 1.00 0.00 H new ATOM 0 HD2 PHE A 67 3.229 24.790 -4.771 1.00 0.00 H new ATOM 0 HE1 PHE A 67 0.510 24.176 -8.876 1.00 0.00 H new ATOM 0 HE2 PHE A 67 3.650 26.207 -6.761 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.293 25.900 -8.814 1.00 0.00 H new ATOM 1021 N ALA A 68 4.386 20.659 -4.524 1.00 0.00 N ATOM 1022 CA ALA A 68 5.825 20.737 -4.138 1.00 0.00 C ATOM 1023 C ALA A 68 6.512 21.845 -4.951 1.00 0.00 C ATOM 1024 O ALA A 68 6.490 21.815 -6.166 1.00 0.00 O ATOM 1025 CB ALA A 68 6.501 19.396 -4.433 1.00 0.00 C ATOM 0 H ALA A 68 4.118 19.814 -5.028 1.00 0.00 H new ATOM 0 HA ALA A 68 5.907 20.962 -3.075 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.553 19.449 -4.152 1.00 0.00 H new ATOM 0 HB2 ALA A 68 6.012 18.608 -3.860 1.00 0.00 H new ATOM 0 HB3 ALA A 68 6.420 19.174 -5.497 1.00 0.00 H new ATOM 1031 N PRO A 69 7.103 22.795 -4.258 1.00 0.00 N ATOM 1032 CA PRO A 69 7.803 23.920 -4.910 1.00 0.00 C ATOM 1033 C PRO A 69 8.981 23.403 -5.743 1.00 0.00 C ATOM 1034 O PRO A 69 9.584 24.136 -6.503 1.00 0.00 O ATOM 1035 CB PRO A 69 8.302 24.799 -3.753 1.00 0.00 C ATOM 1036 CG PRO A 69 7.887 24.111 -2.426 1.00 0.00 C ATOM 1037 CD PRO A 69 7.122 22.826 -2.784 1.00 0.00 C ATOM 0 HA PRO A 69 7.155 24.471 -5.591 1.00 0.00 H new ATOM 0 HB2 PRO A 69 9.385 24.916 -3.801 1.00 0.00 H new ATOM 0 HB3 PRO A 69 7.870 25.798 -3.817 1.00 0.00 H new ATOM 0 HG2 PRO A 69 8.766 23.878 -1.825 1.00 0.00 H new ATOM 0 HG3 PRO A 69 7.261 24.775 -1.830 1.00 0.00 H new ATOM 0 HD2 PRO A 69 7.617 21.945 -2.377 1.00 0.00 H new ATOM 0 HD3 PRO A 69 6.111 22.841 -2.376 1.00 0.00 H new ATOM 1045 N CYS A 70 9.308 22.146 -5.601 1.00 0.00 N ATOM 1046 CA CYS A 70 10.442 21.564 -6.376 1.00 0.00 C ATOM 1047 C CYS A 70 9.977 20.284 -7.079 1.00 0.00 C ATOM 1048 O CYS A 70 9.128 19.601 -6.526 1.00 0.00 O ATOM 1049 CB CYS A 70 11.594 21.233 -5.422 1.00 0.00 C ATOM 1050 SG CYS A 70 12.040 22.711 -4.479 1.00 0.00 S ATOM 0 H CYS A 70 8.834 21.493 -4.977 1.00 0.00 H new ATOM 0 HA CYS A 70 10.781 22.284 -7.121 1.00 0.00 H new ATOM 0 HB2 CYS A 70 11.300 20.431 -4.744 1.00 0.00 H new ATOM 0 HB3 CYS A 70 12.455 20.875 -5.986 1.00 0.00 H new ATOM 0 HG CYS A 70 13.016 22.430 -3.668 1.00 0.00 H new TER 1056 CYS A 70 HETATM 1057 ZN ZN A 998 -2.544 -4.683 -11.169 1.00 0.00 ZN HETATM 1058 ZN ZN A 999 -4.613 10.758 -6.152 1.00 0.00 ZN