USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 668 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 59 THR OG1 : rot 180:sc= -1.51! USER MOD Set 1.2: A 62 CYS SG : rot 180:sc= 0 USER MOD Set 2.1: A 29 CYS SG : rot 180:sc= -0.785! USER MOD Set 2.2: A 30 GLN : amide:sc= -0.162 K(o=-0.95,f=-5.1!) USER MOD Set 3.1: A 10 CYS SG : rot 9:sc= -0.0971 USER MOD Set 3.2: A 12 LYS NZ :NH3+ -108:sc= 0.357 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 CYS SG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ -109:sc= 0.552 (180deg=-0.301) USER MOD Single : A 17 HIS : no HD1:sc= -1.11! C(o=-1.1!,f=-1!) USER MOD Single : A 18 SER OG : rot 50:sc= -0.0951! USER MOD Single : A 20 CYS SG : rot 180:sc= 0.00109 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 CYS SG : rot 180:sc= -2.73 USER MOD Single : A 41 GLN : amide:sc= -1.77! C(o=-1.8!,f=-2.9!) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 52:sc= -1.06 USER MOD Single : A 50 CYS SG : rot -4:sc= -3.19! USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -173:sc= -3.37! USER MOD Single : A 68 ASN : amide:sc=-0.00376 K(o=-0.0038,f=-3.1!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc=-0.00485 USER MOD Single : A 82 HIS : no HD1:sc= -0.337 X(o=-0.34,f=-0.75) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 86.500 -13.484 1.009 1.00 0.00 N ATOM 2 CA MET A 1 87.120 -12.400 1.825 1.00 0.00 C ATOM 3 C MET A 1 86.757 -11.028 1.248 1.00 0.00 C ATOM 4 O MET A 1 87.589 -10.336 0.696 1.00 0.00 O ATOM 5 CB MET A 1 88.625 -12.642 1.726 1.00 0.00 C ATOM 6 CG MET A 1 89.248 -12.579 3.121 1.00 0.00 C ATOM 7 SD MET A 1 89.671 -10.863 3.515 1.00 0.00 S ATOM 8 CE MET A 1 88.911 -10.810 5.158 1.00 0.00 C ATOM 0 H1 MET A 1 86.754 -14.409 1.411 1.00 0.00 H new ATOM 0 H2 MET A 1 85.466 -13.375 1.016 1.00 0.00 H new ATOM 0 H3 MET A 1 86.848 -13.424 0.031 1.00 0.00 H new ATOM 0 HA MET A 1 86.772 -12.411 2.858 1.00 0.00 H new ATOM 0 HB2 MET A 1 88.818 -13.615 1.274 1.00 0.00 H new ATOM 0 HB3 MET A 1 89.082 -11.894 1.079 1.00 0.00 H new ATOM 0 HG2 MET A 1 88.551 -12.972 3.861 1.00 0.00 H new ATOM 0 HG3 MET A 1 90.141 -13.203 3.161 1.00 0.00 H new ATOM 0 HE1 MET A 1 89.056 -9.822 5.594 1.00 0.00 H new ATOM 0 HE2 MET A 1 87.844 -11.016 5.072 1.00 0.00 H new ATOM 0 HE3 MET A 1 89.375 -11.560 5.798 1.00 0.00 H new ATOM 18 N CYS A 2 85.521 -10.628 1.377 1.00 0.00 N ATOM 19 CA CYS A 2 85.107 -9.300 0.838 1.00 0.00 C ATOM 20 C CYS A 2 86.161 -8.242 1.175 1.00 0.00 C ATOM 21 O CYS A 2 86.175 -7.688 2.258 1.00 0.00 O ATOM 22 CB CYS A 2 83.784 -8.984 1.539 1.00 0.00 C ATOM 23 SG CYS A 2 82.771 -7.932 0.472 1.00 0.00 S ATOM 0 H CYS A 2 84.781 -11.162 1.832 1.00 0.00 H new ATOM 0 HA CYS A 2 85.001 -9.308 -0.247 1.00 0.00 H new ATOM 0 HB2 CYS A 2 83.252 -9.907 1.768 1.00 0.00 H new ATOM 0 HB3 CYS A 2 83.974 -8.482 2.488 1.00 0.00 H new ATOM 0 HG CYS A 2 81.646 -7.666 1.067 1.00 0.00 H new ATOM 29 N ALA A 3 87.044 -7.958 0.258 1.00 0.00 N ATOM 30 CA ALA A 3 88.097 -6.937 0.526 1.00 0.00 C ATOM 31 C ALA A 3 88.746 -6.489 -0.787 1.00 0.00 C ATOM 32 O ALA A 3 89.955 -6.431 -0.904 1.00 0.00 O ATOM 33 CB ALA A 3 89.118 -7.648 1.415 1.00 0.00 C ATOM 0 H ALA A 3 87.082 -8.389 -0.666 1.00 0.00 H new ATOM 0 HA ALA A 3 87.695 -6.042 1.002 1.00 0.00 H new ATOM 0 HB1 ALA A 3 89.929 -6.962 1.658 1.00 0.00 H new ATOM 0 HB2 ALA A 3 88.633 -7.977 2.334 1.00 0.00 H new ATOM 0 HB3 ALA A 3 89.521 -8.513 0.887 1.00 0.00 H new ATOM 39 N VAL A 4 87.953 -6.174 -1.774 1.00 0.00 N ATOM 40 CA VAL A 4 88.525 -5.731 -3.078 1.00 0.00 C ATOM 41 C VAL A 4 87.496 -4.903 -3.852 1.00 0.00 C ATOM 42 O VAL A 4 87.074 -5.269 -4.930 1.00 0.00 O ATOM 43 CB VAL A 4 88.849 -7.022 -3.829 1.00 0.00 C ATOM 44 CG1 VAL A 4 87.561 -7.810 -4.071 1.00 0.00 C ATOM 45 CG2 VAL A 4 89.495 -6.681 -5.172 1.00 0.00 C ATOM 0 H VAL A 4 86.934 -6.204 -1.735 1.00 0.00 H new ATOM 0 HA VAL A 4 89.407 -5.103 -2.950 1.00 0.00 H new ATOM 0 HB VAL A 4 89.537 -7.624 -3.235 1.00 0.00 H new ATOM 0 HG11 VAL A 4 87.793 -8.731 -4.607 1.00 0.00 H new ATOM 0 HG12 VAL A 4 87.098 -8.053 -3.115 1.00 0.00 H new ATOM 0 HG13 VAL A 4 86.873 -7.208 -4.665 1.00 0.00 H new ATOM 0 HG21 VAL A 4 89.727 -7.601 -5.708 1.00 0.00 H new ATOM 0 HG22 VAL A 4 88.806 -6.079 -5.765 1.00 0.00 H new ATOM 0 HG23 VAL A 4 90.414 -6.119 -5.002 1.00 0.00 H new ATOM 55 N LEU A 5 87.089 -3.789 -3.308 1.00 0.00 N ATOM 56 CA LEU A 5 86.088 -2.937 -4.011 1.00 0.00 C ATOM 57 C LEU A 5 86.740 -1.632 -4.480 1.00 0.00 C ATOM 58 O LEU A 5 87.375 -0.935 -3.714 1.00 0.00 O ATOM 59 CB LEU A 5 85.009 -2.652 -2.966 1.00 0.00 C ATOM 60 CG LEU A 5 84.400 -3.970 -2.489 1.00 0.00 C ATOM 61 CD1 LEU A 5 83.270 -3.682 -1.498 1.00 0.00 C ATOM 62 CD2 LEU A 5 83.839 -4.736 -3.690 1.00 0.00 C ATOM 0 H LEU A 5 87.406 -3.432 -2.407 1.00 0.00 H new ATOM 0 HA LEU A 5 85.680 -3.424 -4.897 1.00 0.00 H new ATOM 0 HB2 LEU A 5 85.438 -2.111 -2.123 1.00 0.00 H new ATOM 0 HB3 LEU A 5 84.234 -2.014 -3.392 1.00 0.00 H new ATOM 0 HG LEU A 5 85.169 -4.569 -2.000 1.00 0.00 H new ATOM 0 HD11 LEU A 5 82.836 -4.622 -1.158 1.00 0.00 H new ATOM 0 HD12 LEU A 5 83.667 -3.135 -0.643 1.00 0.00 H new ATOM 0 HD13 LEU A 5 82.501 -3.083 -1.987 1.00 0.00 H new ATOM 0 HD21 LEU A 5 83.404 -5.676 -3.351 1.00 0.00 H new ATOM 0 HD22 LEU A 5 83.071 -4.136 -4.178 1.00 0.00 H new ATOM 0 HD23 LEU A 5 84.642 -4.942 -4.398 1.00 0.00 H new ATOM 74 N ARG A 6 86.589 -1.296 -5.732 1.00 0.00 N ATOM 75 CA ARG A 6 87.202 -0.037 -6.244 1.00 0.00 C ATOM 76 C ARG A 6 86.124 1.029 -6.453 1.00 0.00 C ATOM 77 O ARG A 6 86.139 1.760 -7.422 1.00 0.00 O ATOM 78 CB ARG A 6 87.848 -0.420 -7.577 1.00 0.00 C ATOM 79 CG ARG A 6 88.718 -1.664 -7.385 1.00 0.00 C ATOM 80 CD ARG A 6 89.701 -1.426 -6.235 1.00 0.00 C ATOM 81 NE ARG A 6 90.894 -2.253 -6.571 1.00 0.00 N ATOM 82 CZ ARG A 6 91.864 -2.380 -5.707 1.00 0.00 C ATOM 83 NH1 ARG A 6 92.720 -1.410 -5.539 1.00 0.00 N ATOM 84 NH2 ARG A 6 91.976 -3.479 -5.010 1.00 0.00 N ATOM 0 H ARG A 6 86.068 -1.838 -6.422 1.00 0.00 H new ATOM 0 HA ARG A 6 87.929 0.381 -5.547 1.00 0.00 H new ATOM 0 HB2 ARG A 6 87.078 -0.614 -8.324 1.00 0.00 H new ATOM 0 HB3 ARG A 6 88.453 0.406 -7.950 1.00 0.00 H new ATOM 0 HG2 ARG A 6 88.091 -2.529 -7.169 1.00 0.00 H new ATOM 0 HG3 ARG A 6 89.262 -1.886 -8.303 1.00 0.00 H new ATOM 0 HD2 ARG A 6 89.963 -0.371 -6.151 1.00 0.00 H new ATOM 0 HD3 ARG A 6 89.270 -1.724 -5.279 1.00 0.00 H new ATOM 0 HE ARG A 6 90.953 -2.720 -7.476 1.00 0.00 H new ATOM 0 HH11 ARG A 6 92.631 -0.552 -6.083 1.00 0.00 H new ATOM 0 HH12 ARG A 6 93.478 -1.510 -4.864 1.00 0.00 H new ATOM 0 HH21 ARG A 6 91.306 -4.237 -5.141 1.00 0.00 H new ATOM 0 HH22 ARG A 6 92.734 -3.580 -4.334 1.00 0.00 H new ATOM 98 N GLN A 7 85.193 1.119 -5.544 1.00 0.00 N ATOM 99 CA GLN A 7 84.104 2.136 -5.671 1.00 0.00 C ATOM 100 C GLN A 7 82.973 1.818 -4.690 1.00 0.00 C ATOM 101 O GLN A 7 82.370 0.767 -4.761 1.00 0.00 O ATOM 102 CB GLN A 7 83.605 2.021 -7.114 1.00 0.00 C ATOM 103 CG GLN A 7 84.040 3.258 -7.901 1.00 0.00 C ATOM 104 CD GLN A 7 82.862 3.778 -8.727 1.00 0.00 C ATOM 105 OE1 GLN A 7 82.515 3.205 -9.740 1.00 0.00 O ATOM 106 NE2 GLN A 7 82.228 4.848 -8.333 1.00 0.00 N ATOM 0 H GLN A 7 85.137 0.530 -4.713 1.00 0.00 H new ATOM 0 HA GLN A 7 84.456 3.143 -5.445 1.00 0.00 H new ATOM 0 HB2 GLN A 7 84.007 1.121 -7.579 1.00 0.00 H new ATOM 0 HB3 GLN A 7 82.519 1.930 -7.129 1.00 0.00 H new ATOM 0 HG2 GLN A 7 84.389 4.032 -7.218 1.00 0.00 H new ATOM 0 HG3 GLN A 7 84.876 3.010 -8.556 1.00 0.00 H new ATOM 0 HE21 GLN A 7 82.519 5.329 -7.482 1.00 0.00 H new ATOM 0 HE22 GLN A 7 81.441 5.203 -8.876 1.00 0.00 H new ATOM 115 N PRO A 8 82.722 2.743 -3.802 1.00 0.00 N ATOM 116 CA PRO A 8 81.649 2.554 -2.795 1.00 0.00 C ATOM 117 C PRO A 8 80.272 2.671 -3.449 1.00 0.00 C ATOM 118 O PRO A 8 79.996 3.604 -4.176 1.00 0.00 O ATOM 119 CB PRO A 8 81.881 3.691 -1.805 1.00 0.00 C ATOM 120 CG PRO A 8 82.599 4.744 -2.588 1.00 0.00 C ATOM 121 CD PRO A 8 83.400 4.035 -3.651 1.00 0.00 C ATOM 0 HA PRO A 8 81.675 1.572 -2.322 1.00 0.00 H new ATOM 0 HB2 PRO A 8 80.938 4.068 -1.408 1.00 0.00 H new ATOM 0 HB3 PRO A 8 82.475 3.358 -0.954 1.00 0.00 H new ATOM 0 HG2 PRO A 8 81.891 5.439 -3.039 1.00 0.00 H new ATOM 0 HG3 PRO A 8 83.251 5.329 -1.940 1.00 0.00 H new ATOM 0 HD2 PRO A 8 83.406 4.595 -4.586 1.00 0.00 H new ATOM 0 HD3 PRO A 8 84.440 3.908 -3.349 1.00 0.00 H new ATOM 129 N LYS A 9 79.405 1.730 -3.195 1.00 0.00 N ATOM 130 CA LYS A 9 78.045 1.790 -3.799 1.00 0.00 C ATOM 131 C LYS A 9 77.166 2.756 -3.004 1.00 0.00 C ATOM 132 O LYS A 9 77.399 3.002 -1.837 1.00 0.00 O ATOM 133 CB LYS A 9 77.503 0.363 -3.702 1.00 0.00 C ATOM 134 CG LYS A 9 76.173 0.270 -4.452 1.00 0.00 C ATOM 135 CD LYS A 9 76.227 -0.892 -5.447 1.00 0.00 C ATOM 136 CE LYS A 9 75.734 -2.170 -4.765 1.00 0.00 C ATOM 137 NZ LYS A 9 75.939 -3.246 -5.774 1.00 0.00 N ATOM 0 H LYS A 9 79.580 0.923 -2.596 1.00 0.00 H new ATOM 0 HA LYS A 9 78.062 2.146 -4.829 1.00 0.00 H new ATOM 0 HB2 LYS A 9 78.221 -0.340 -4.125 1.00 0.00 H new ATOM 0 HB3 LYS A 9 77.364 0.086 -2.657 1.00 0.00 H new ATOM 0 HG2 LYS A 9 75.355 0.121 -3.747 1.00 0.00 H new ATOM 0 HG3 LYS A 9 75.974 1.204 -4.978 1.00 0.00 H new ATOM 0 HD2 LYS A 9 75.609 -0.669 -6.317 1.00 0.00 H new ATOM 0 HD3 LYS A 9 77.246 -1.029 -5.807 1.00 0.00 H new ATOM 0 HE2 LYS A 9 76.294 -2.372 -3.852 1.00 0.00 H new ATOM 0 HE3 LYS A 9 74.684 -2.088 -4.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 75.017 -3.561 -6.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 76.515 -2.881 -6.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 76.428 -4.049 -5.330 1.00 0.00 H new ATOM 151 N CYS A 10 76.162 3.310 -3.622 1.00 0.00 N ATOM 152 CA CYS A 10 75.280 4.263 -2.892 1.00 0.00 C ATOM 153 C CYS A 10 73.808 3.883 -3.074 1.00 0.00 C ATOM 154 O CYS A 10 73.425 3.276 -4.058 1.00 0.00 O ATOM 155 CB CYS A 10 75.562 5.627 -3.522 1.00 0.00 C ATOM 156 SG CYS A 10 75.004 6.935 -2.402 1.00 0.00 S ATOM 0 H CYS A 10 75.914 3.146 -4.598 1.00 0.00 H new ATOM 0 HA CYS A 10 75.474 4.258 -1.819 1.00 0.00 H new ATOM 0 HB2 CYS A 10 76.628 5.734 -3.721 1.00 0.00 H new ATOM 0 HB3 CYS A 10 75.049 5.710 -4.480 1.00 0.00 H new ATOM 0 HG CYS A 10 74.682 6.416 -1.255 1.00 0.00 H new ATOM 162 N VAL A 11 72.982 4.242 -2.133 1.00 0.00 N ATOM 163 CA VAL A 11 71.532 3.913 -2.240 1.00 0.00 C ATOM 164 C VAL A 11 70.704 5.000 -1.550 1.00 0.00 C ATOM 165 O VAL A 11 71.021 5.438 -0.462 1.00 0.00 O ATOM 166 CB VAL A 11 71.374 2.575 -1.519 1.00 0.00 C ATOM 167 CG1 VAL A 11 72.389 1.573 -2.072 1.00 0.00 C ATOM 168 CG2 VAL A 11 71.621 2.774 -0.022 1.00 0.00 C ATOM 0 H VAL A 11 73.249 4.751 -1.290 1.00 0.00 H new ATOM 0 HA VAL A 11 71.191 3.856 -3.274 1.00 0.00 H new ATOM 0 HB VAL A 11 70.365 2.194 -1.677 1.00 0.00 H new ATOM 0 HG11 VAL A 11 72.276 0.619 -1.557 1.00 0.00 H new ATOM 0 HG12 VAL A 11 72.217 1.432 -3.139 1.00 0.00 H new ATOM 0 HG13 VAL A 11 73.398 1.953 -1.914 1.00 0.00 H new ATOM 0 HG21 VAL A 11 71.509 1.821 0.495 1.00 0.00 H new ATOM 0 HG22 VAL A 11 72.631 3.154 0.133 1.00 0.00 H new ATOM 0 HG23 VAL A 11 70.899 3.489 0.374 1.00 0.00 H new ATOM 178 N LYS A 12 69.649 5.444 -2.175 1.00 0.00 N ATOM 179 CA LYS A 12 68.810 6.507 -1.553 1.00 0.00 C ATOM 180 C LYS A 12 67.755 5.884 -0.636 1.00 0.00 C ATOM 181 O LYS A 12 66.699 5.475 -1.078 1.00 0.00 O ATOM 182 CB LYS A 12 68.143 7.223 -2.728 1.00 0.00 C ATOM 183 CG LYS A 12 69.213 7.661 -3.731 1.00 0.00 C ATOM 184 CD LYS A 12 70.086 8.750 -3.104 1.00 0.00 C ATOM 185 CE LYS A 12 71.549 8.299 -3.115 1.00 0.00 C ATOM 186 NZ LYS A 12 72.213 9.170 -4.124 1.00 0.00 N ATOM 0 H LYS A 12 69.332 5.118 -3.088 1.00 0.00 H new ATOM 0 HA LYS A 12 69.398 7.189 -0.939 1.00 0.00 H new ATOM 0 HB2 LYS A 12 67.425 6.560 -3.212 1.00 0.00 H new ATOM 0 HB3 LYS A 12 67.587 8.090 -2.371 1.00 0.00 H new ATOM 0 HG2 LYS A 12 69.828 6.808 -4.019 1.00 0.00 H new ATOM 0 HG3 LYS A 12 68.743 8.036 -4.640 1.00 0.00 H new ATOM 0 HD2 LYS A 12 69.977 9.682 -3.658 1.00 0.00 H new ATOM 0 HD3 LYS A 12 69.763 8.947 -2.082 1.00 0.00 H new ATOM 0 HE2 LYS A 12 72.005 8.415 -2.132 1.00 0.00 H new ATOM 0 HE3 LYS A 12 71.636 7.246 -3.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 72.435 8.611 -4.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 71.577 9.952 -4.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 73.092 9.556 -3.725 1.00 0.00 H new ATOM 200 N LEU A 13 68.028 5.813 0.638 1.00 0.00 N ATOM 201 CA LEU A 13 67.038 5.221 1.580 1.00 0.00 C ATOM 202 C LEU A 13 65.906 6.217 1.845 1.00 0.00 C ATOM 203 O LEU A 13 65.897 6.912 2.840 1.00 0.00 O ATOM 204 CB LEU A 13 67.822 4.948 2.864 1.00 0.00 C ATOM 205 CG LEU A 13 67.542 3.521 3.340 1.00 0.00 C ATOM 206 CD1 LEU A 13 68.484 2.549 2.626 1.00 0.00 C ATOM 207 CD2 LEU A 13 67.771 3.435 4.852 1.00 0.00 C ATOM 0 H LEU A 13 68.894 6.139 1.067 1.00 0.00 H new ATOM 0 HA LEU A 13 66.581 4.314 1.183 1.00 0.00 H new ATOM 0 HB2 LEU A 13 68.889 5.080 2.686 1.00 0.00 H new ATOM 0 HB3 LEU A 13 67.536 5.663 3.636 1.00 0.00 H new ATOM 0 HG LEU A 13 66.509 3.258 3.112 1.00 0.00 H new ATOM 0 HD11 LEU A 13 68.284 1.533 2.966 1.00 0.00 H new ATOM 0 HD12 LEU A 13 68.323 2.610 1.550 1.00 0.00 H new ATOM 0 HD13 LEU A 13 69.517 2.811 2.853 1.00 0.00 H new ATOM 0 HD21 LEU A 13 67.572 2.419 5.193 1.00 0.00 H new ATOM 0 HD22 LEU A 13 68.804 3.698 5.079 1.00 0.00 H new ATOM 0 HD23 LEU A 13 67.100 4.127 5.362 1.00 0.00 H new ATOM 219 N ARG A 14 64.950 6.291 0.961 1.00 0.00 N ATOM 220 CA ARG A 14 63.819 7.241 1.160 1.00 0.00 C ATOM 221 C ARG A 14 62.796 6.641 2.129 1.00 0.00 C ATOM 222 O ARG A 14 62.745 5.444 2.326 1.00 0.00 O ATOM 223 CB ARG A 14 63.213 7.420 -0.235 1.00 0.00 C ATOM 224 CG ARG A 14 61.792 7.975 -0.117 1.00 0.00 C ATOM 225 CD ARG A 14 61.844 9.401 0.434 1.00 0.00 C ATOM 226 NE ARG A 14 60.517 9.610 1.076 1.00 0.00 N ATOM 227 CZ ARG A 14 60.000 10.808 1.130 1.00 0.00 C ATOM 228 NH1 ARG A 14 60.780 11.854 1.149 1.00 0.00 N ATOM 229 NH2 ARG A 14 58.704 10.960 1.162 1.00 0.00 N ATOM 0 H ARG A 14 64.903 5.734 0.108 1.00 0.00 H new ATOM 0 HA ARG A 14 64.137 8.191 1.589 1.00 0.00 H new ATOM 0 HB2 ARG A 14 63.830 8.098 -0.825 1.00 0.00 H new ATOM 0 HB3 ARG A 14 63.197 6.465 -0.760 1.00 0.00 H new ATOM 0 HG2 ARG A 14 61.306 7.968 -1.092 1.00 0.00 H new ATOM 0 HG3 ARG A 14 61.196 7.342 0.540 1.00 0.00 H new ATOM 0 HD2 ARG A 14 62.654 9.518 1.154 1.00 0.00 H new ATOM 0 HD3 ARG A 14 62.017 10.126 -0.361 1.00 0.00 H new ATOM 0 HE ARG A 14 60.012 8.818 1.473 1.00 0.00 H new ATOM 0 HH11 ARG A 14 61.793 11.736 1.122 1.00 0.00 H new ATOM 0 HH12 ARG A 14 60.377 12.790 1.191 1.00 0.00 H new ATOM 0 HH21 ARG A 14 58.094 10.143 1.145 1.00 0.00 H new ATOM 0 HH22 ARG A 14 58.301 11.896 1.204 1.00 0.00 H new ATOM 243 N ALA A 15 61.987 7.462 2.740 1.00 0.00 N ATOM 244 CA ALA A 15 60.977 6.924 3.698 1.00 0.00 C ATOM 245 C ALA A 15 59.649 7.669 3.549 1.00 0.00 C ATOM 246 O ALA A 15 59.544 8.839 3.856 1.00 0.00 O ATOM 247 CB ALA A 15 61.578 7.172 5.081 1.00 0.00 C ATOM 0 H ALA A 15 61.980 8.475 2.620 1.00 0.00 H new ATOM 0 HA ALA A 15 60.766 5.869 3.525 1.00 0.00 H new ATOM 0 HB1 ALA A 15 60.895 6.804 5.846 1.00 0.00 H new ATOM 0 HB2 ALA A 15 62.531 6.649 5.163 1.00 0.00 H new ATOM 0 HB3 ALA A 15 61.738 8.241 5.222 1.00 0.00 H new ATOM 253 N LEU A 16 58.630 6.997 3.084 1.00 0.00 N ATOM 254 CA LEU A 16 57.309 7.669 2.924 1.00 0.00 C ATOM 255 C LEU A 16 56.791 8.128 4.288 1.00 0.00 C ATOM 256 O LEU A 16 56.090 9.113 4.401 1.00 0.00 O ATOM 257 CB LEU A 16 56.388 6.604 2.328 1.00 0.00 C ATOM 258 CG LEU A 16 55.851 7.092 0.984 1.00 0.00 C ATOM 259 CD1 LEU A 16 54.992 5.998 0.347 1.00 0.00 C ATOM 260 CD2 LEU A 16 55.000 8.345 1.200 1.00 0.00 C ATOM 0 H LEU A 16 58.655 6.015 2.809 1.00 0.00 H new ATOM 0 HA LEU A 16 57.366 8.553 2.288 1.00 0.00 H new ATOM 0 HB2 LEU A 16 56.932 5.669 2.197 1.00 0.00 H new ATOM 0 HB3 LEU A 16 55.562 6.399 3.009 1.00 0.00 H new ATOM 0 HG LEU A 16 56.686 7.327 0.325 1.00 0.00 H new ATOM 0 HD11 LEU A 16 54.610 6.348 -0.612 1.00 0.00 H new ATOM 0 HD12 LEU A 16 55.597 5.104 0.192 1.00 0.00 H new ATOM 0 HD13 LEU A 16 54.157 5.761 1.006 1.00 0.00 H new ATOM 0 HD21 LEU A 16 54.616 8.694 0.241 1.00 0.00 H new ATOM 0 HD22 LEU A 16 54.166 8.109 1.860 1.00 0.00 H new ATOM 0 HD23 LEU A 16 55.611 9.126 1.652 1.00 0.00 H new ATOM 272 N HIS A 17 57.140 7.419 5.324 1.00 0.00 N ATOM 273 CA HIS A 17 56.680 7.808 6.686 1.00 0.00 C ATOM 274 C HIS A 17 57.587 8.906 7.248 1.00 0.00 C ATOM 275 O HIS A 17 57.491 9.276 8.401 1.00 0.00 O ATOM 276 CB HIS A 17 56.794 6.534 7.524 1.00 0.00 C ATOM 277 CG HIS A 17 56.733 6.883 8.986 1.00 0.00 C ATOM 278 ND1 HIS A 17 55.559 7.286 9.603 1.00 0.00 N ATOM 279 CD2 HIS A 17 57.695 6.900 9.966 1.00 0.00 C ATOM 280 CE1 HIS A 17 55.841 7.525 10.897 1.00 0.00 C ATOM 281 NE2 HIS A 17 57.129 7.305 11.172 1.00 0.00 N ATOM 0 H HIS A 17 57.726 6.585 5.286 1.00 0.00 H new ATOM 0 HA HIS A 17 55.663 8.201 6.685 1.00 0.00 H new ATOM 0 HB2 HIS A 17 55.987 5.847 7.270 1.00 0.00 H new ATOM 0 HB3 HIS A 17 57.730 6.023 7.301 1.00 0.00 H new ATOM 0 HD2 HIS A 17 58.733 6.639 9.823 1.00 0.00 H new ATOM 0 HE1 HIS A 17 55.114 7.855 11.624 1.00 0.00 H new ATOM 0 HE2 HIS A 17 57.597 7.411 12.072 1.00 0.00 H new ATOM 289 N SER A 18 58.468 9.429 6.439 1.00 0.00 N ATOM 290 CA SER A 18 59.382 10.502 6.926 1.00 0.00 C ATOM 291 C SER A 18 59.204 11.767 6.086 1.00 0.00 C ATOM 292 O SER A 18 58.204 11.949 5.421 1.00 0.00 O ATOM 293 CB SER A 18 60.789 9.935 6.749 1.00 0.00 C ATOM 294 OG SER A 18 61.742 10.955 7.013 1.00 0.00 O ATOM 0 H SER A 18 58.594 9.160 5.463 1.00 0.00 H new ATOM 0 HA SER A 18 59.182 10.777 7.962 1.00 0.00 H new ATOM 0 HB2 SER A 18 60.942 9.094 7.425 1.00 0.00 H new ATOM 0 HB3 SER A 18 60.916 9.556 5.735 1.00 0.00 H new ATOM 0 HG SER A 18 61.531 11.387 7.867 1.00 0.00 H new ATOM 300 N ALA A 19 60.167 12.644 6.116 1.00 0.00 N ATOM 301 CA ALA A 19 60.056 13.900 5.322 1.00 0.00 C ATOM 302 C ALA A 19 61.191 13.987 4.298 1.00 0.00 C ATOM 303 O ALA A 19 61.506 15.049 3.800 1.00 0.00 O ATOM 304 CB ALA A 19 60.177 15.026 6.348 1.00 0.00 C ATOM 0 H ALA A 19 61.027 12.546 6.656 1.00 0.00 H new ATOM 0 HA ALA A 19 59.122 13.951 4.763 1.00 0.00 H new ATOM 0 HB1 ALA A 19 60.105 15.989 5.842 1.00 0.00 H new ATOM 0 HB2 ALA A 19 59.374 14.940 7.080 1.00 0.00 H new ATOM 0 HB3 ALA A 19 61.139 14.954 6.855 1.00 0.00 H new ATOM 310 N CYS A 20 61.811 12.881 3.979 1.00 0.00 N ATOM 311 CA CYS A 20 62.926 12.915 2.987 1.00 0.00 C ATOM 312 C CYS A 20 63.569 11.533 2.845 1.00 0.00 C ATOM 313 O CYS A 20 62.967 10.516 3.138 1.00 0.00 O ATOM 314 CB CYS A 20 63.937 13.911 3.561 1.00 0.00 C ATOM 315 SG CYS A 20 64.539 14.987 2.236 1.00 0.00 S ATOM 0 H CYS A 20 61.595 11.960 4.360 1.00 0.00 H new ATOM 0 HA CYS A 20 62.577 13.203 1.995 1.00 0.00 H new ATOM 0 HB2 CYS A 20 63.471 14.507 4.346 1.00 0.00 H new ATOM 0 HB3 CYS A 20 64.770 13.378 4.018 1.00 0.00 H new ATOM 0 HG CYS A 20 65.396 15.835 2.722 1.00 0.00 H new ATOM 321 N LYS A 21 64.792 11.496 2.393 1.00 0.00 N ATOM 322 CA LYS A 21 65.492 10.191 2.226 1.00 0.00 C ATOM 323 C LYS A 21 66.925 10.297 2.756 1.00 0.00 C ATOM 324 O LYS A 21 67.413 11.372 3.040 1.00 0.00 O ATOM 325 CB LYS A 21 65.494 9.934 0.717 1.00 0.00 C ATOM 326 CG LYS A 21 66.387 10.962 0.020 1.00 0.00 C ATOM 327 CD LYS A 21 65.519 11.921 -0.800 1.00 0.00 C ATOM 328 CE LYS A 21 65.867 11.780 -2.284 1.00 0.00 C ATOM 329 NZ LYS A 21 65.129 12.885 -2.959 1.00 0.00 N ATOM 0 H LYS A 21 65.339 12.316 2.131 1.00 0.00 H new ATOM 0 HA LYS A 21 65.007 9.384 2.774 1.00 0.00 H new ATOM 0 HB2 LYS A 21 65.854 8.926 0.511 1.00 0.00 H new ATOM 0 HB3 LYS A 21 64.478 9.996 0.326 1.00 0.00 H new ATOM 0 HG2 LYS A 21 66.964 11.518 0.759 1.00 0.00 H new ATOM 0 HG3 LYS A 21 67.103 10.457 -0.629 1.00 0.00 H new ATOM 0 HD2 LYS A 21 64.464 11.700 -0.640 1.00 0.00 H new ATOM 0 HD3 LYS A 21 65.683 12.948 -0.473 1.00 0.00 H new ATOM 0 HE2 LYS A 21 66.941 11.865 -2.447 1.00 0.00 H new ATOM 0 HE3 LYS A 21 65.562 10.808 -2.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 65.318 12.855 -3.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 64.109 12.774 -2.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 65.445 13.799 -2.576 1.00 0.00 H new ATOM 343 N PHE A 22 67.604 9.192 2.892 1.00 0.00 N ATOM 344 CA PHE A 22 69.002 9.242 3.406 1.00 0.00 C ATOM 345 C PHE A 22 69.962 8.606 2.398 1.00 0.00 C ATOM 346 O PHE A 22 70.092 7.400 2.324 1.00 0.00 O ATOM 347 CB PHE A 22 68.979 8.437 4.705 1.00 0.00 C ATOM 348 CG PHE A 22 70.367 8.400 5.301 1.00 0.00 C ATOM 349 CD1 PHE A 22 71.265 9.446 5.054 1.00 0.00 C ATOM 350 CD2 PHE A 22 70.755 7.320 6.103 1.00 0.00 C ATOM 351 CE1 PHE A 22 72.551 9.411 5.608 1.00 0.00 C ATOM 352 CE2 PHE A 22 72.042 7.285 6.656 1.00 0.00 C ATOM 353 CZ PHE A 22 72.938 8.329 6.408 1.00 0.00 C ATOM 0 H PHE A 22 67.254 8.260 2.671 1.00 0.00 H new ATOM 0 HA PHE A 22 69.343 10.265 3.567 1.00 0.00 H new ATOM 0 HB2 PHE A 22 68.281 8.886 5.411 1.00 0.00 H new ATOM 0 HB3 PHE A 22 68.628 7.423 4.511 1.00 0.00 H new ATOM 0 HD1 PHE A 22 70.966 10.280 4.436 1.00 0.00 H new ATOM 0 HD2 PHE A 22 70.062 6.514 6.295 1.00 0.00 H new ATOM 0 HE1 PHE A 22 73.243 10.218 5.418 1.00 0.00 H new ATOM 0 HE2 PHE A 22 72.342 6.451 7.274 1.00 0.00 H new ATOM 0 HZ PHE A 22 73.930 8.301 6.834 1.00 0.00 H new ATOM 363 N GLY A 23 70.639 9.409 1.623 1.00 0.00 N ATOM 364 CA GLY A 23 71.594 8.851 0.624 1.00 0.00 C ATOM 365 C GLY A 23 72.779 8.221 1.355 1.00 0.00 C ATOM 366 O GLY A 23 73.748 8.882 1.672 1.00 0.00 O ATOM 0 H GLY A 23 70.572 10.427 1.638 1.00 0.00 H new ATOM 0 HA2 GLY A 23 71.096 8.105 0.005 1.00 0.00 H new ATOM 0 HA3 GLY A 23 71.941 9.639 -0.044 1.00 0.00 H new ATOM 370 N VAL A 24 72.709 6.948 1.629 1.00 0.00 N ATOM 371 CA VAL A 24 73.834 6.280 2.346 1.00 0.00 C ATOM 372 C VAL A 24 74.761 5.578 1.347 1.00 0.00 C ATOM 373 O VAL A 24 74.327 5.076 0.330 1.00 0.00 O ATOM 374 CB VAL A 24 73.164 5.264 3.277 1.00 0.00 C ATOM 375 CG1 VAL A 24 72.735 4.027 2.482 1.00 0.00 C ATOM 376 CG2 VAL A 24 74.154 4.852 4.370 1.00 0.00 C ATOM 0 H VAL A 24 71.925 6.342 1.389 1.00 0.00 H new ATOM 0 HA VAL A 24 74.451 6.989 2.898 1.00 0.00 H new ATOM 0 HB VAL A 24 72.282 5.718 3.730 1.00 0.00 H new ATOM 0 HG11 VAL A 24 72.260 3.311 3.152 1.00 0.00 H new ATOM 0 HG12 VAL A 24 72.029 4.321 1.705 1.00 0.00 H new ATOM 0 HG13 VAL A 24 73.610 3.568 2.022 1.00 0.00 H new ATOM 0 HG21 VAL A 24 73.682 4.129 5.035 1.00 0.00 H new ATOM 0 HG22 VAL A 24 75.035 4.402 3.912 1.00 0.00 H new ATOM 0 HG23 VAL A 24 74.451 5.731 4.942 1.00 0.00 H new ATOM 386 N ALA A 25 76.035 5.541 1.632 1.00 0.00 N ATOM 387 CA ALA A 25 76.988 4.872 0.700 1.00 0.00 C ATOM 388 C ALA A 25 77.961 3.983 1.480 1.00 0.00 C ATOM 389 O ALA A 25 78.362 4.302 2.581 1.00 0.00 O ATOM 390 CB ALA A 25 77.738 6.014 0.012 1.00 0.00 C ATOM 0 H ALA A 25 76.457 5.944 2.469 1.00 0.00 H new ATOM 0 HA ALA A 25 76.478 4.228 -0.017 1.00 0.00 H new ATOM 0 HB1 ALA A 25 78.461 5.602 -0.692 1.00 0.00 H new ATOM 0 HB2 ALA A 25 77.028 6.645 -0.523 1.00 0.00 H new ATOM 0 HB3 ALA A 25 78.260 6.610 0.761 1.00 0.00 H new ATOM 396 N ALA A 26 78.345 2.871 0.914 1.00 0.00 N ATOM 397 CA ALA A 26 79.294 1.962 1.621 1.00 0.00 C ATOM 398 C ALA A 26 79.773 0.858 0.673 1.00 0.00 C ATOM 399 O ALA A 26 78.986 0.131 0.102 1.00 0.00 O ATOM 400 CB ALA A 26 78.490 1.368 2.777 1.00 0.00 C ATOM 0 H ALA A 26 78.043 2.552 -0.007 1.00 0.00 H new ATOM 0 HA ALA A 26 80.183 2.485 1.973 1.00 0.00 H new ATOM 0 HB1 ALA A 26 79.121 0.686 3.347 1.00 0.00 H new ATOM 0 HB2 ALA A 26 78.142 2.170 3.428 1.00 0.00 H new ATOM 0 HB3 ALA A 26 77.632 0.824 2.382 1.00 0.00 H new ATOM 406 N ARG A 27 81.060 0.732 0.502 1.00 0.00 N ATOM 407 CA ARG A 27 81.595 -0.320 -0.409 1.00 0.00 C ATOM 408 C ARG A 27 80.835 -1.633 -0.213 1.00 0.00 C ATOM 409 O ARG A 27 80.707 -2.428 -1.123 1.00 0.00 O ATOM 410 CB ARG A 27 83.061 -0.482 -0.006 1.00 0.00 C ATOM 411 CG ARG A 27 83.761 0.876 -0.075 1.00 0.00 C ATOM 412 CD ARG A 27 85.196 0.688 -0.574 1.00 0.00 C ATOM 413 NE ARG A 27 86.051 1.296 0.482 1.00 0.00 N ATOM 414 CZ ARG A 27 87.342 1.366 0.313 1.00 0.00 C ATOM 415 NH1 ARG A 27 87.831 1.964 -0.737 1.00 0.00 N ATOM 416 NH2 ARG A 27 88.144 0.837 1.196 1.00 0.00 N ATOM 0 H ARG A 27 81.766 1.313 0.954 1.00 0.00 H new ATOM 0 HA ARG A 27 81.487 -0.049 -1.459 1.00 0.00 H new ATOM 0 HB2 ARG A 27 83.129 -0.888 1.003 1.00 0.00 H new ATOM 0 HB3 ARG A 27 83.555 -1.192 -0.669 1.00 0.00 H new ATOM 0 HG2 ARG A 27 83.217 1.543 -0.743 1.00 0.00 H new ATOM 0 HG3 ARG A 27 83.766 1.345 0.909 1.00 0.00 H new ATOM 0 HD2 ARG A 27 85.431 -0.367 -0.714 1.00 0.00 H new ATOM 0 HD3 ARG A 27 85.347 1.178 -1.536 1.00 0.00 H new ATOM 0 HE ARG A 27 85.628 1.657 1.337 1.00 0.00 H new ATOM 0 HH11 ARG A 27 87.204 2.377 -1.427 1.00 0.00 H new ATOM 0 HH12 ARG A 27 88.841 2.019 -0.869 1.00 0.00 H new ATOM 0 HH21 ARG A 27 87.761 0.369 2.017 1.00 0.00 H new ATOM 0 HH22 ARG A 27 89.154 0.891 1.065 1.00 0.00 H new ATOM 430 N SER A 28 80.332 -1.867 0.966 1.00 0.00 N ATOM 431 CA SER A 28 79.581 -3.131 1.218 1.00 0.00 C ATOM 432 C SER A 28 78.073 -2.870 1.174 1.00 0.00 C ATOM 433 O SER A 28 77.476 -2.467 2.151 1.00 0.00 O ATOM 434 CB SER A 28 80.008 -3.572 2.617 1.00 0.00 C ATOM 435 OG SER A 28 80.965 -4.616 2.508 1.00 0.00 O ATOM 0 H SER A 28 80.407 -1.239 1.766 1.00 0.00 H new ATOM 0 HA SER A 28 79.792 -3.893 0.468 1.00 0.00 H new ATOM 0 HB2 SER A 28 80.433 -2.729 3.163 1.00 0.00 H new ATOM 0 HB3 SER A 28 79.142 -3.915 3.183 1.00 0.00 H new ATOM 0 HG SER A 28 81.243 -4.900 3.404 1.00 0.00 H new ATOM 441 N CYS A 29 77.453 -3.099 0.048 1.00 0.00 N ATOM 442 CA CYS A 29 75.983 -2.866 -0.051 1.00 0.00 C ATOM 443 C CYS A 29 75.282 -3.448 1.178 1.00 0.00 C ATOM 444 O CYS A 29 74.290 -2.925 1.646 1.00 0.00 O ATOM 445 CB CYS A 29 75.544 -3.601 -1.318 1.00 0.00 C ATOM 446 SG CYS A 29 75.677 -5.386 -1.057 1.00 0.00 S ATOM 0 H CYS A 29 77.899 -3.436 -0.805 1.00 0.00 H new ATOM 0 HA CYS A 29 75.733 -1.806 -0.094 1.00 0.00 H new ATOM 0 HB2 CYS A 29 74.517 -3.335 -1.568 1.00 0.00 H new ATOM 0 HB3 CYS A 29 76.166 -3.299 -2.161 1.00 0.00 H new ATOM 0 HG CYS A 29 75.302 -6.011 -2.133 1.00 0.00 H new ATOM 452 N GLN A 30 75.793 -4.525 1.708 1.00 0.00 N ATOM 453 CA GLN A 30 75.157 -5.135 2.911 1.00 0.00 C ATOM 454 C GLN A 30 75.211 -4.148 4.080 1.00 0.00 C ATOM 455 O GLN A 30 74.455 -4.246 5.025 1.00 0.00 O ATOM 456 CB GLN A 30 75.993 -6.378 3.217 1.00 0.00 C ATOM 457 CG GLN A 30 75.629 -7.492 2.233 1.00 0.00 C ATOM 458 CD GLN A 30 76.801 -7.737 1.282 1.00 0.00 C ATOM 459 OE1 GLN A 30 77.667 -6.897 1.136 1.00 0.00 O ATOM 460 NE2 GLN A 30 76.865 -8.861 0.621 1.00 0.00 N ATOM 0 H GLN A 30 76.622 -5.009 1.361 1.00 0.00 H new ATOM 0 HA GLN A 30 74.109 -5.385 2.748 1.00 0.00 H new ATOM 0 HB2 GLN A 30 77.055 -6.143 3.141 1.00 0.00 H new ATOM 0 HB3 GLN A 30 75.812 -6.708 4.240 1.00 0.00 H new ATOM 0 HG2 GLN A 30 75.390 -8.407 2.775 1.00 0.00 H new ATOM 0 HG3 GLN A 30 74.740 -7.215 1.667 1.00 0.00 H new ATOM 0 HE21 GLN A 30 76.139 -9.566 0.743 1.00 0.00 H new ATOM 0 HE22 GLN A 30 77.642 -9.034 -0.017 1.00 0.00 H new ATOM 469 N GLU A 31 76.100 -3.194 4.015 1.00 0.00 N ATOM 470 CA GLU A 31 76.203 -2.194 5.116 1.00 0.00 C ATOM 471 C GLU A 31 75.082 -1.163 4.990 1.00 0.00 C ATOM 472 O GLU A 31 74.395 -0.858 5.944 1.00 0.00 O ATOM 473 CB GLU A 31 77.569 -1.534 4.925 1.00 0.00 C ATOM 474 CG GLU A 31 78.352 -1.591 6.237 1.00 0.00 C ATOM 475 CD GLU A 31 79.783 -2.056 5.957 1.00 0.00 C ATOM 476 OE1 GLU A 31 79.972 -3.246 5.769 1.00 0.00 O ATOM 477 OE2 GLU A 31 80.664 -1.214 5.936 1.00 0.00 O ATOM 0 H GLU A 31 76.759 -3.064 3.247 1.00 0.00 H new ATOM 0 HA GLU A 31 76.108 -2.648 6.102 1.00 0.00 H new ATOM 0 HB2 GLU A 31 78.123 -2.043 4.136 1.00 0.00 H new ATOM 0 HB3 GLU A 31 77.443 -0.498 4.609 1.00 0.00 H new ATOM 0 HG2 GLU A 31 78.363 -0.609 6.709 1.00 0.00 H new ATOM 0 HG3 GLU A 31 77.866 -2.274 6.934 1.00 0.00 H new ATOM 484 N LEU A 32 74.891 -0.628 3.818 1.00 0.00 N ATOM 485 CA LEU A 32 73.810 0.381 3.626 1.00 0.00 C ATOM 486 C LEU A 32 72.458 -0.233 3.992 1.00 0.00 C ATOM 487 O LEU A 32 71.611 0.408 4.583 1.00 0.00 O ATOM 488 CB LEU A 32 73.848 0.736 2.140 1.00 0.00 C ATOM 489 CG LEU A 32 75.172 1.428 1.810 1.00 0.00 C ATOM 490 CD1 LEU A 32 75.091 2.051 0.416 1.00 0.00 C ATOM 491 CD2 LEU A 32 75.447 2.524 2.842 1.00 0.00 C ATOM 0 H LEU A 32 75.436 -0.845 2.983 1.00 0.00 H new ATOM 0 HA LEU A 32 73.950 1.261 4.254 1.00 0.00 H new ATOM 0 HB2 LEU A 32 73.738 -0.166 1.538 1.00 0.00 H new ATOM 0 HB3 LEU A 32 73.012 1.390 1.891 1.00 0.00 H new ATOM 0 HG LEU A 32 75.978 0.695 1.834 1.00 0.00 H new ATOM 0 HD11 LEU A 32 76.035 2.544 0.182 1.00 0.00 H new ATOM 0 HD12 LEU A 32 74.897 1.271 -0.320 1.00 0.00 H new ATOM 0 HD13 LEU A 32 74.284 2.783 0.391 1.00 0.00 H new ATOM 0 HD21 LEU A 32 76.390 3.017 2.607 1.00 0.00 H new ATOM 0 HD22 LEU A 32 74.640 3.256 2.819 1.00 0.00 H new ATOM 0 HD23 LEU A 32 75.507 2.081 3.836 1.00 0.00 H new ATOM 503 N LEU A 33 72.252 -1.475 3.649 1.00 0.00 N ATOM 504 CA LEU A 33 70.959 -2.135 3.981 1.00 0.00 C ATOM 505 C LEU A 33 70.828 -2.278 5.499 1.00 0.00 C ATOM 506 O LEU A 33 69.953 -1.698 6.112 1.00 0.00 O ATOM 507 CB LEU A 33 71.033 -3.509 3.312 1.00 0.00 C ATOM 508 CG LEU A 33 71.166 -3.332 1.798 1.00 0.00 C ATOM 509 CD1 LEU A 33 71.594 -4.656 1.161 1.00 0.00 C ATOM 510 CD2 LEU A 33 69.818 -2.902 1.216 1.00 0.00 C ATOM 0 H LEU A 33 72.924 -2.061 3.153 1.00 0.00 H new ATOM 0 HA LEU A 33 70.096 -1.566 3.636 1.00 0.00 H new ATOM 0 HB2 LEU A 33 71.884 -4.069 3.700 1.00 0.00 H new ATOM 0 HB3 LEU A 33 70.139 -4.087 3.544 1.00 0.00 H new ATOM 0 HG LEU A 33 71.916 -2.569 1.588 1.00 0.00 H new ATOM 0 HD11 LEU A 33 71.688 -4.527 0.083 1.00 0.00 H new ATOM 0 HD12 LEU A 33 72.554 -4.965 1.575 1.00 0.00 H new ATOM 0 HD13 LEU A 33 70.845 -5.420 1.371 1.00 0.00 H new ATOM 0 HD21 LEU A 33 69.911 -2.775 0.137 1.00 0.00 H new ATOM 0 HD22 LEU A 33 69.070 -3.666 1.429 1.00 0.00 H new ATOM 0 HD23 LEU A 33 69.511 -1.958 1.667 1.00 0.00 H new ATOM 522 N ARG A 34 71.696 -3.037 6.110 1.00 0.00 N ATOM 523 CA ARG A 34 71.626 -3.204 7.589 1.00 0.00 C ATOM 524 C ARG A 34 71.604 -1.834 8.264 1.00 0.00 C ATOM 525 O ARG A 34 70.629 -1.444 8.875 1.00 0.00 O ATOM 526 CB ARG A 34 72.897 -3.970 7.966 1.00 0.00 C ATOM 527 CG ARG A 34 72.581 -5.464 8.079 1.00 0.00 C ATOM 528 CD ARG A 34 72.109 -5.781 9.501 1.00 0.00 C ATOM 529 NE ARG A 34 73.355 -5.850 10.314 1.00 0.00 N ATOM 530 CZ ARG A 34 74.232 -6.791 10.090 1.00 0.00 C ATOM 531 NH1 ARG A 34 73.859 -7.916 9.544 1.00 0.00 N ATOM 532 NH2 ARG A 34 75.483 -6.607 10.414 1.00 0.00 N ATOM 0 H ARG A 34 72.449 -3.548 5.650 1.00 0.00 H new ATOM 0 HA ARG A 34 70.728 -3.734 7.906 1.00 0.00 H new ATOM 0 HB2 ARG A 34 73.669 -3.807 7.214 1.00 0.00 H new ATOM 0 HB3 ARG A 34 73.291 -3.599 8.912 1.00 0.00 H new ATOM 0 HG2 ARG A 34 71.810 -5.739 7.359 1.00 0.00 H new ATOM 0 HG3 ARG A 34 73.466 -6.053 7.839 1.00 0.00 H new ATOM 0 HD2 ARG A 34 71.436 -5.009 9.875 1.00 0.00 H new ATOM 0 HD3 ARG A 34 71.563 -6.724 9.535 1.00 0.00 H new ATOM 0 HE ARG A 34 73.523 -5.161 11.047 1.00 0.00 H new ATOM 0 HH11 ARG A 34 72.881 -8.061 9.292 1.00 0.00 H new ATOM 0 HH12 ARG A 34 74.545 -8.650 9.369 1.00 0.00 H new ATOM 0 HH21 ARG A 34 75.775 -5.728 10.842 1.00 0.00 H new ATOM 0 HH22 ARG A 34 76.168 -7.342 10.239 1.00 0.00 H new ATOM 546 N LYS A 35 72.670 -1.097 8.148 1.00 0.00 N ATOM 547 CA LYS A 35 72.711 0.256 8.772 1.00 0.00 C ATOM 548 C LYS A 35 71.467 1.046 8.366 1.00 0.00 C ATOM 549 O LYS A 35 71.045 1.959 9.049 1.00 0.00 O ATOM 550 CB LYS A 35 73.972 0.915 8.216 1.00 0.00 C ATOM 551 CG LYS A 35 75.201 0.119 8.655 1.00 0.00 C ATOM 552 CD LYS A 35 76.406 0.531 7.808 1.00 0.00 C ATOM 553 CE LYS A 35 76.594 2.048 7.891 1.00 0.00 C ATOM 554 NZ LYS A 35 78.066 2.255 7.825 1.00 0.00 N ATOM 0 H LYS A 35 73.516 -1.371 7.648 1.00 0.00 H new ATOM 0 HA LYS A 35 72.727 0.214 9.861 1.00 0.00 H new ATOM 0 HB2 LYS A 35 73.923 0.958 7.128 1.00 0.00 H new ATOM 0 HB3 LYS A 35 74.045 1.943 8.572 1.00 0.00 H new ATOM 0 HG2 LYS A 35 75.406 0.299 9.710 1.00 0.00 H new ATOM 0 HG3 LYS A 35 75.014 -0.949 8.545 1.00 0.00 H new ATOM 0 HD2 LYS A 35 77.303 0.023 8.162 1.00 0.00 H new ATOM 0 HD3 LYS A 35 76.256 0.229 6.772 1.00 0.00 H new ATOM 0 HE2 LYS A 35 76.087 2.555 7.070 1.00 0.00 H new ATOM 0 HE3 LYS A 35 76.180 2.447 8.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 78.276 3.272 7.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 78.521 1.767 8.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 78.431 1.871 6.930 1.00 0.00 H new ATOM 568 N GLY A 36 70.876 0.697 7.257 1.00 0.00 N ATOM 569 CA GLY A 36 69.658 1.420 6.799 1.00 0.00 C ATOM 570 C GLY A 36 68.480 1.054 7.702 1.00 0.00 C ATOM 571 O GLY A 36 67.806 1.914 8.234 1.00 0.00 O ATOM 0 H GLY A 36 71.185 -0.060 6.647 1.00 0.00 H new ATOM 0 HA2 GLY A 36 69.829 2.496 6.825 1.00 0.00 H new ATOM 0 HA3 GLY A 36 69.433 1.158 5.765 1.00 0.00 H new ATOM 575 N CYS A 37 68.223 -0.213 7.882 1.00 0.00 N ATOM 576 CA CYS A 37 67.084 -0.617 8.755 1.00 0.00 C ATOM 577 C CYS A 37 67.333 -0.152 10.191 1.00 0.00 C ATOM 578 O CYS A 37 66.433 -0.111 11.006 1.00 0.00 O ATOM 579 CB CYS A 37 67.037 -2.141 8.690 1.00 0.00 C ATOM 580 SG CYS A 37 65.607 -2.729 9.634 1.00 0.00 S ATOM 0 H CYS A 37 68.749 -0.982 7.465 1.00 0.00 H new ATOM 0 HA CYS A 37 66.144 -0.172 8.429 1.00 0.00 H new ATOM 0 HB2 CYS A 37 66.965 -2.471 7.654 1.00 0.00 H new ATOM 0 HB3 CYS A 37 67.956 -2.564 9.097 1.00 0.00 H new ATOM 0 HG CYS A 37 65.557 -4.027 9.583 1.00 0.00 H new ATOM 586 N VAL A 38 68.551 0.198 10.509 1.00 0.00 N ATOM 587 CA VAL A 38 68.857 0.662 11.893 1.00 0.00 C ATOM 588 C VAL A 38 68.401 2.111 12.072 1.00 0.00 C ATOM 589 O VAL A 38 67.578 2.416 12.913 1.00 0.00 O ATOM 590 CB VAL A 38 70.376 0.556 12.020 1.00 0.00 C ATOM 591 CG1 VAL A 38 70.815 1.093 13.384 1.00 0.00 C ATOM 592 CG2 VAL A 38 70.794 -0.909 11.891 1.00 0.00 C ATOM 0 H VAL A 38 69.346 0.183 9.871 1.00 0.00 H new ATOM 0 HA VAL A 38 68.345 0.071 12.652 1.00 0.00 H new ATOM 0 HB VAL A 38 70.849 1.142 11.232 1.00 0.00 H new ATOM 0 HG11 VAL A 38 71.899 1.017 13.473 1.00 0.00 H new ATOM 0 HG12 VAL A 38 70.516 2.137 13.478 1.00 0.00 H new ATOM 0 HG13 VAL A 38 70.344 0.508 14.174 1.00 0.00 H new ATOM 0 HG21 VAL A 38 71.877 -0.988 11.981 1.00 0.00 H new ATOM 0 HG22 VAL A 38 70.321 -1.493 12.680 1.00 0.00 H new ATOM 0 HG23 VAL A 38 70.482 -1.292 10.919 1.00 0.00 H new ATOM 602 N ARG A 39 68.928 3.009 11.285 1.00 0.00 N ATOM 603 CA ARG A 39 68.521 4.439 11.406 1.00 0.00 C ATOM 604 C ARG A 39 67.040 4.593 11.052 1.00 0.00 C ATOM 605 O ARG A 39 66.334 5.396 11.629 1.00 0.00 O ATOM 606 CB ARG A 39 69.398 5.184 10.400 1.00 0.00 C ATOM 607 CG ARG A 39 70.065 6.378 11.087 1.00 0.00 C ATOM 608 CD ARG A 39 71.304 5.902 11.852 1.00 0.00 C ATOM 609 NE ARG A 39 72.428 6.025 10.882 1.00 0.00 N ATOM 610 CZ ARG A 39 73.252 7.034 10.962 1.00 0.00 C ATOM 611 NH1 ARG A 39 72.843 8.174 11.449 1.00 0.00 N ATOM 612 NH2 ARG A 39 74.485 6.903 10.556 1.00 0.00 N ATOM 0 H ARG A 39 69.623 2.815 10.564 1.00 0.00 H new ATOM 0 HA ARG A 39 68.647 4.825 12.417 1.00 0.00 H new ATOM 0 HB2 ARG A 39 70.157 4.513 9.996 1.00 0.00 H new ATOM 0 HB3 ARG A 39 68.795 5.526 9.559 1.00 0.00 H new ATOM 0 HG2 ARG A 39 70.347 7.126 10.346 1.00 0.00 H new ATOM 0 HG3 ARG A 39 69.364 6.856 11.771 1.00 0.00 H new ATOM 0 HD2 ARG A 39 71.479 6.512 12.738 1.00 0.00 H new ATOM 0 HD3 ARG A 39 71.187 4.873 12.192 1.00 0.00 H new ATOM 0 HE ARG A 39 72.554 5.320 10.155 1.00 0.00 H new ATOM 0 HH11 ARG A 39 71.879 8.276 11.767 1.00 0.00 H new ATOM 0 HH12 ARG A 39 73.487 8.962 11.511 1.00 0.00 H new ATOM 0 HH21 ARG A 39 74.805 6.012 10.176 1.00 0.00 H new ATOM 0 HH22 ARG A 39 75.129 7.692 10.618 1.00 0.00 H new ATOM 626 N PHE A 40 66.561 3.822 10.113 1.00 0.00 N ATOM 627 CA PHE A 40 65.123 3.920 9.731 1.00 0.00 C ATOM 628 C PHE A 40 64.280 3.055 10.668 1.00 0.00 C ATOM 629 O PHE A 40 63.073 3.177 10.730 1.00 0.00 O ATOM 630 CB PHE A 40 65.055 3.387 8.298 1.00 0.00 C ATOM 631 CG PHE A 40 65.206 4.534 7.324 1.00 0.00 C ATOM 632 CD1 PHE A 40 65.898 5.691 7.705 1.00 0.00 C ATOM 633 CD2 PHE A 40 64.656 4.438 6.040 1.00 0.00 C ATOM 634 CE1 PHE A 40 66.036 6.752 6.804 1.00 0.00 C ATOM 635 CE2 PHE A 40 64.797 5.500 5.139 1.00 0.00 C ATOM 636 CZ PHE A 40 65.486 6.657 5.520 1.00 0.00 C ATOM 0 H PHE A 40 67.102 3.130 9.595 1.00 0.00 H new ATOM 0 HA PHE A 40 64.740 4.938 9.801 1.00 0.00 H new ATOM 0 HB2 PHE A 40 65.843 2.652 8.135 1.00 0.00 H new ATOM 0 HB3 PHE A 40 64.105 2.879 8.133 1.00 0.00 H new ATOM 0 HD1 PHE A 40 66.325 5.764 8.694 1.00 0.00 H new ATOM 0 HD2 PHE A 40 64.124 3.546 5.745 1.00 0.00 H new ATOM 0 HE1 PHE A 40 66.567 7.645 7.099 1.00 0.00 H new ATOM 0 HE2 PHE A 40 64.373 5.426 4.148 1.00 0.00 H new ATOM 0 HZ PHE A 40 65.593 7.476 4.824 1.00 0.00 H new ATOM 646 N GLN A 41 64.914 2.182 11.403 1.00 0.00 N ATOM 647 CA GLN A 41 64.161 1.308 12.345 1.00 0.00 C ATOM 648 C GLN A 41 63.030 0.580 11.615 1.00 0.00 C ATOM 649 O GLN A 41 61.879 0.958 11.702 1.00 0.00 O ATOM 650 CB GLN A 41 63.594 2.262 13.395 1.00 0.00 C ATOM 651 CG GLN A 41 64.732 3.080 14.008 1.00 0.00 C ATOM 652 CD GLN A 41 65.489 2.222 15.024 1.00 0.00 C ATOM 653 OE1 GLN A 41 64.935 1.299 15.588 1.00 0.00 O ATOM 654 NE2 GLN A 41 66.740 2.489 15.281 1.00 0.00 N ATOM 0 H GLN A 41 65.924 2.037 11.391 1.00 0.00 H new ATOM 0 HA GLN A 41 64.794 0.538 12.787 1.00 0.00 H new ATOM 0 HB2 GLN A 41 62.859 2.926 12.940 1.00 0.00 H new ATOM 0 HB3 GLN A 41 63.077 1.699 14.172 1.00 0.00 H new ATOM 0 HG2 GLN A 41 65.411 3.421 13.226 1.00 0.00 H new ATOM 0 HG3 GLN A 41 64.333 3.970 14.494 1.00 0.00 H new ATOM 0 HE21 GLN A 41 67.204 3.264 14.807 1.00 0.00 H new ATOM 0 HE22 GLN A 41 67.254 1.923 15.956 1.00 0.00 H new ATOM 663 N LEU A 42 63.345 -0.466 10.900 1.00 0.00 N ATOM 664 CA LEU A 42 62.280 -1.216 10.177 1.00 0.00 C ATOM 665 C LEU A 42 62.186 -2.644 10.722 1.00 0.00 C ATOM 666 O LEU A 42 62.950 -3.508 10.337 1.00 0.00 O ATOM 667 CB LEU A 42 62.719 -1.223 8.712 1.00 0.00 C ATOM 668 CG LEU A 42 61.485 -1.304 7.812 1.00 0.00 C ATOM 669 CD1 LEU A 42 60.643 -2.516 8.211 1.00 0.00 C ATOM 670 CD2 LEU A 42 60.651 -0.032 7.974 1.00 0.00 C ATOM 0 H LEU A 42 64.290 -0.832 10.786 1.00 0.00 H new ATOM 0 HA LEU A 42 61.296 -0.762 10.299 1.00 0.00 H new ATOM 0 HB2 LEU A 42 63.288 -0.321 8.487 1.00 0.00 H new ATOM 0 HB3 LEU A 42 63.377 -2.071 8.522 1.00 0.00 H new ATOM 0 HG LEU A 42 61.799 -1.404 6.773 1.00 0.00 H new ATOM 0 HD11 LEU A 42 59.763 -2.575 7.570 1.00 0.00 H new ATOM 0 HD12 LEU A 42 61.236 -3.424 8.098 1.00 0.00 H new ATOM 0 HD13 LEU A 42 60.329 -2.415 9.250 1.00 0.00 H new ATOM 0 HD21 LEU A 42 59.772 -0.089 7.333 1.00 0.00 H new ATOM 0 HD22 LEU A 42 60.337 0.067 9.013 1.00 0.00 H new ATOM 0 HD23 LEU A 42 61.250 0.834 7.692 1.00 0.00 H new ATOM 682 N PRO A 43 61.250 -2.840 11.610 1.00 0.00 N ATOM 683 CA PRO A 43 61.052 -4.174 12.231 1.00 0.00 C ATOM 684 C PRO A 43 60.439 -5.154 11.225 1.00 0.00 C ATOM 685 O PRO A 43 59.876 -4.760 10.223 1.00 0.00 O ATOM 686 CB PRO A 43 60.086 -3.894 13.379 1.00 0.00 C ATOM 687 CG PRO A 43 59.355 -2.653 12.975 1.00 0.00 C ATOM 688 CD PRO A 43 60.295 -1.847 12.116 1.00 0.00 C ATOM 0 HA PRO A 43 61.983 -4.632 12.565 1.00 0.00 H new ATOM 0 HB2 PRO A 43 59.398 -4.726 13.528 1.00 0.00 H new ATOM 0 HB3 PRO A 43 60.620 -3.750 14.318 1.00 0.00 H new ATOM 0 HG2 PRO A 43 58.448 -2.902 12.425 1.00 0.00 H new ATOM 0 HG3 PRO A 43 59.050 -2.083 13.852 1.00 0.00 H new ATOM 0 HD2 PRO A 43 59.766 -1.350 11.302 1.00 0.00 H new ATOM 0 HD3 PRO A 43 60.795 -1.069 12.693 1.00 0.00 H new ATOM 696 N MET A 44 60.547 -6.428 11.489 1.00 0.00 N ATOM 697 CA MET A 44 59.974 -7.439 10.554 1.00 0.00 C ATOM 698 C MET A 44 58.443 -7.426 10.616 1.00 0.00 C ATOM 699 O MET A 44 57.784 -7.401 9.596 1.00 0.00 O ATOM 700 CB MET A 44 60.517 -8.783 11.044 1.00 0.00 C ATOM 701 CG MET A 44 60.897 -9.650 9.843 1.00 0.00 C ATOM 702 SD MET A 44 59.942 -11.188 9.884 1.00 0.00 S ATOM 703 CE MET A 44 61.014 -12.154 8.792 1.00 0.00 C ATOM 0 H MET A 44 61.008 -6.813 12.313 1.00 0.00 H new ATOM 0 HA MET A 44 60.247 -7.238 9.518 1.00 0.00 H new ATOM 0 HB2 MET A 44 61.387 -8.625 11.681 1.00 0.00 H new ATOM 0 HB3 MET A 44 59.767 -9.291 11.650 1.00 0.00 H new ATOM 0 HG2 MET A 44 60.701 -9.112 8.916 1.00 0.00 H new ATOM 0 HG3 MET A 44 61.964 -9.871 9.863 1.00 0.00 H new ATOM 0 HE1 MET A 44 60.605 -13.158 8.675 1.00 0.00 H new ATOM 0 HE2 MET A 44 61.071 -11.670 7.817 1.00 0.00 H new ATOM 0 HE3 MET A 44 62.012 -12.217 9.225 1.00 0.00 H new ATOM 713 N PRO A 45 57.924 -7.453 11.816 1.00 0.00 N ATOM 714 CA PRO A 45 56.455 -7.455 12.003 1.00 0.00 C ATOM 715 C PRO A 45 55.879 -6.053 11.774 1.00 0.00 C ATOM 716 O PRO A 45 56.532 -5.056 12.009 1.00 0.00 O ATOM 717 CB PRO A 45 56.278 -7.888 13.454 1.00 0.00 C ATOM 718 CG PRO A 45 57.554 -7.509 14.139 1.00 0.00 C ATOM 719 CD PRO A 45 58.644 -7.483 13.096 1.00 0.00 C ATOM 0 HA PRO A 45 55.937 -8.110 11.302 1.00 0.00 H new ATOM 0 HB2 PRO A 45 55.423 -7.390 13.911 1.00 0.00 H new ATOM 0 HB3 PRO A 45 56.097 -8.961 13.525 1.00 0.00 H new ATOM 0 HG2 PRO A 45 57.457 -6.533 14.615 1.00 0.00 H new ATOM 0 HG3 PRO A 45 57.794 -8.225 14.925 1.00 0.00 H new ATOM 0 HD2 PRO A 45 59.284 -6.609 13.212 1.00 0.00 H new ATOM 0 HD3 PRO A 45 59.286 -8.361 13.170 1.00 0.00 H new ATOM 727 N GLY A 46 54.658 -5.973 11.319 1.00 0.00 N ATOM 728 CA GLY A 46 54.036 -4.641 11.075 1.00 0.00 C ATOM 729 C GLY A 46 55.037 -3.727 10.364 1.00 0.00 C ATOM 730 O GLY A 46 55.281 -2.614 10.784 1.00 0.00 O ATOM 0 H GLY A 46 54.064 -6.774 11.106 1.00 0.00 H new ATOM 0 HA2 GLY A 46 53.137 -4.754 10.468 1.00 0.00 H new ATOM 0 HA3 GLY A 46 53.728 -4.194 12.020 1.00 0.00 H new ATOM 734 N SER A 47 55.616 -4.188 9.288 1.00 0.00 N ATOM 735 CA SER A 47 56.598 -3.342 8.550 1.00 0.00 C ATOM 736 C SER A 47 56.869 -3.932 7.163 1.00 0.00 C ATOM 737 O SER A 47 56.546 -5.071 6.893 1.00 0.00 O ATOM 738 CB SER A 47 57.866 -3.371 9.398 1.00 0.00 C ATOM 739 OG SER A 47 58.102 -2.076 9.934 1.00 0.00 O ATOM 0 H SER A 47 55.452 -5.112 8.889 1.00 0.00 H new ATOM 0 HA SER A 47 56.232 -2.326 8.398 1.00 0.00 H new ATOM 0 HB2 SER A 47 57.762 -4.097 10.204 1.00 0.00 H new ATOM 0 HB3 SER A 47 58.715 -3.687 8.792 1.00 0.00 H new ATOM 0 HG SER A 47 57.293 -1.757 10.387 1.00 0.00 H new ATOM 745 N ARG A 48 57.459 -3.167 6.284 1.00 0.00 N ATOM 746 CA ARG A 48 57.748 -3.687 4.918 1.00 0.00 C ATOM 747 C ARG A 48 58.491 -2.628 4.101 1.00 0.00 C ATOM 748 O ARG A 48 58.265 -1.444 4.255 1.00 0.00 O ATOM 749 CB ARG A 48 56.378 -3.971 4.300 1.00 0.00 C ATOM 750 CG ARG A 48 56.065 -5.466 4.402 1.00 0.00 C ATOM 751 CD ARG A 48 55.409 -5.942 3.104 1.00 0.00 C ATOM 752 NE ARG A 48 53.998 -6.244 3.473 1.00 0.00 N ATOM 753 CZ ARG A 48 53.249 -6.948 2.667 1.00 0.00 C ATOM 754 NH1 ARG A 48 53.381 -6.818 1.376 1.00 0.00 N ATOM 755 NH2 ARG A 48 52.368 -7.780 3.154 1.00 0.00 N ATOM 0 H ARG A 48 57.753 -2.205 6.454 1.00 0.00 H new ATOM 0 HA ARG A 48 58.377 -4.577 4.940 1.00 0.00 H new ATOM 0 HB2 ARG A 48 55.610 -3.393 4.814 1.00 0.00 H new ATOM 0 HB3 ARG A 48 56.367 -3.658 3.256 1.00 0.00 H new ATOM 0 HG2 ARG A 48 56.981 -6.028 4.586 1.00 0.00 H new ATOM 0 HG3 ARG A 48 55.401 -5.652 5.246 1.00 0.00 H new ATOM 0 HD2 ARG A 48 55.459 -5.174 2.332 1.00 0.00 H new ATOM 0 HD3 ARG A 48 55.911 -6.825 2.709 1.00 0.00 H new ATOM 0 HE ARG A 48 53.617 -5.901 4.355 1.00 0.00 H new ATOM 0 HH11 ARG A 48 54.069 -6.167 0.997 1.00 0.00 H new ATOM 0 HH12 ARG A 48 52.797 -7.367 0.746 1.00 0.00 H new ATOM 0 HH21 ARG A 48 52.265 -7.880 4.164 1.00 0.00 H new ATOM 0 HH22 ARG A 48 51.783 -8.330 2.525 1.00 0.00 H new ATOM 769 N LEU A 49 59.370 -3.038 3.231 1.00 0.00 N ATOM 770 CA LEU A 49 60.113 -2.045 2.408 1.00 0.00 C ATOM 771 C LEU A 49 59.729 -2.211 0.937 1.00 0.00 C ATOM 772 O LEU A 49 59.075 -3.165 0.564 1.00 0.00 O ATOM 773 CB LEU A 49 61.590 -2.365 2.634 1.00 0.00 C ATOM 774 CG LEU A 49 61.954 -2.048 4.086 1.00 0.00 C ATOM 775 CD1 LEU A 49 62.782 -3.192 4.665 1.00 0.00 C ATOM 776 CD2 LEU A 49 62.771 -0.755 4.136 1.00 0.00 C ATOM 0 H LEU A 49 59.606 -4.015 3.054 1.00 0.00 H new ATOM 0 HA LEU A 49 59.887 -1.014 2.681 1.00 0.00 H new ATOM 0 HB2 LEU A 49 61.784 -3.416 2.418 1.00 0.00 H new ATOM 0 HB3 LEU A 49 62.210 -1.780 1.955 1.00 0.00 H new ATOM 0 HG LEU A 49 61.042 -1.926 4.670 1.00 0.00 H new ATOM 0 HD11 LEU A 49 63.041 -2.966 5.699 1.00 0.00 H new ATOM 0 HD12 LEU A 49 62.203 -4.115 4.629 1.00 0.00 H new ATOM 0 HD13 LEU A 49 63.694 -3.313 4.080 1.00 0.00 H new ATOM 0 HD21 LEU A 49 63.031 -0.528 5.170 1.00 0.00 H new ATOM 0 HD22 LEU A 49 63.683 -0.878 3.551 1.00 0.00 H new ATOM 0 HD23 LEU A 49 62.182 0.064 3.722 1.00 0.00 H new ATOM 788 N CYS A 50 60.114 -1.290 0.099 1.00 0.00 N ATOM 789 CA CYS A 50 59.745 -1.409 -1.340 1.00 0.00 C ATOM 790 C CYS A 50 60.779 -0.715 -2.229 1.00 0.00 C ATOM 791 O CYS A 50 61.554 0.107 -1.782 1.00 0.00 O ATOM 792 CB CYS A 50 58.385 -0.714 -1.461 1.00 0.00 C ATOM 793 SG CYS A 50 58.411 0.854 -0.553 1.00 0.00 S ATOM 0 H CYS A 50 60.664 -0.466 0.344 1.00 0.00 H new ATOM 0 HA CYS A 50 59.707 -2.450 -1.662 1.00 0.00 H new ATOM 0 HB2 CYS A 50 58.151 -0.533 -2.510 1.00 0.00 H new ATOM 0 HB3 CYS A 50 57.600 -1.360 -1.067 1.00 0.00 H new ATOM 0 HG CYS A 50 59.547 0.978 0.067 1.00 0.00 H new ATOM 799 N LEU A 51 60.783 -1.044 -3.491 1.00 0.00 N ATOM 800 CA LEU A 51 61.750 -0.416 -4.433 1.00 0.00 C ATOM 801 C LEU A 51 61.118 0.817 -5.086 1.00 0.00 C ATOM 802 O LEU A 51 60.146 0.716 -5.810 1.00 0.00 O ATOM 803 CB LEU A 51 62.020 -1.492 -5.478 1.00 0.00 C ATOM 804 CG LEU A 51 63.384 -2.124 -5.217 1.00 0.00 C ATOM 805 CD1 LEU A 51 63.197 -3.580 -4.787 1.00 0.00 C ATOM 806 CD2 LEU A 51 64.209 -2.074 -6.500 1.00 0.00 C ATOM 0 H LEU A 51 60.153 -1.726 -3.913 1.00 0.00 H new ATOM 0 HA LEU A 51 62.663 -0.083 -3.939 1.00 0.00 H new ATOM 0 HB2 LEU A 51 61.241 -2.254 -5.441 1.00 0.00 H new ATOM 0 HB3 LEU A 51 61.994 -1.058 -6.478 1.00 0.00 H new ATOM 0 HG LEU A 51 63.899 -1.578 -4.427 1.00 0.00 H new ATOM 0 HD11 LEU A 51 64.171 -4.032 -4.600 1.00 0.00 H new ATOM 0 HD12 LEU A 51 62.599 -3.616 -3.876 1.00 0.00 H new ATOM 0 HD13 LEU A 51 62.687 -4.130 -5.578 1.00 0.00 H new ATOM 0 HD21 LEU A 51 65.186 -2.524 -6.322 1.00 0.00 H new ATOM 0 HD22 LEU A 51 63.693 -2.626 -7.286 1.00 0.00 H new ATOM 0 HD23 LEU A 51 64.338 -1.037 -6.809 1.00 0.00 H new ATOM 818 N TYR A 52 61.658 1.977 -4.836 1.00 0.00 N ATOM 819 CA TYR A 52 61.082 3.212 -5.441 1.00 0.00 C ATOM 820 C TYR A 52 61.214 3.171 -6.968 1.00 0.00 C ATOM 821 O TYR A 52 60.577 3.926 -7.674 1.00 0.00 O ATOM 822 CB TYR A 52 61.906 4.363 -4.862 1.00 0.00 C ATOM 823 CG TYR A 52 61.076 5.624 -4.869 1.00 0.00 C ATOM 824 CD1 TYR A 52 59.959 5.730 -4.031 1.00 0.00 C ATOM 825 CD2 TYR A 52 61.420 6.687 -5.712 1.00 0.00 C ATOM 826 CE1 TYR A 52 59.187 6.897 -4.037 1.00 0.00 C ATOM 827 CE2 TYR A 52 60.649 7.855 -5.718 1.00 0.00 C ATOM 828 CZ TYR A 52 59.532 7.960 -4.880 1.00 0.00 C ATOM 829 OH TYR A 52 58.771 9.111 -4.886 1.00 0.00 O ATOM 0 H TYR A 52 62.472 2.124 -4.240 1.00 0.00 H new ATOM 0 HA TYR A 52 60.020 3.320 -5.219 1.00 0.00 H new ATOM 0 HB2 TYR A 52 62.219 4.126 -3.845 1.00 0.00 H new ATOM 0 HB3 TYR A 52 62.813 4.508 -5.449 1.00 0.00 H new ATOM 0 HD1 TYR A 52 59.693 4.910 -3.380 1.00 0.00 H new ATOM 0 HD2 TYR A 52 62.281 6.606 -6.359 1.00 0.00 H new ATOM 0 HE1 TYR A 52 58.325 6.978 -3.391 1.00 0.00 H new ATOM 0 HE2 TYR A 52 60.915 8.675 -6.369 1.00 0.00 H new ATOM 0 HH TYR A 52 59.148 9.749 -5.527 1.00 0.00 H new ATOM 839 N GLU A 53 62.035 2.297 -7.482 1.00 0.00 N ATOM 840 CA GLU A 53 62.201 2.216 -8.962 1.00 0.00 C ATOM 841 C GLU A 53 60.832 2.166 -9.645 1.00 0.00 C ATOM 842 O GLU A 53 60.548 2.929 -10.547 1.00 0.00 O ATOM 843 CB GLU A 53 62.970 0.917 -9.209 1.00 0.00 C ATOM 844 CG GLU A 53 63.168 0.722 -10.713 1.00 0.00 C ATOM 845 CD GLU A 53 64.457 1.419 -11.155 1.00 0.00 C ATOM 846 OE1 GLU A 53 65.205 1.840 -10.289 1.00 0.00 O ATOM 847 OE2 GLU A 53 64.673 1.519 -12.352 1.00 0.00 O ATOM 0 H GLU A 53 62.597 1.637 -6.944 1.00 0.00 H new ATOM 0 HA GLU A 53 62.727 3.082 -9.364 1.00 0.00 H new ATOM 0 HB2 GLU A 53 63.936 0.952 -8.705 1.00 0.00 H new ATOM 0 HB3 GLU A 53 62.423 0.072 -8.791 1.00 0.00 H new ATOM 0 HG2 GLU A 53 63.218 -0.341 -10.949 1.00 0.00 H new ATOM 0 HG3 GLU A 53 62.317 1.130 -11.258 1.00 0.00 H new ATOM 854 N ASP A 54 59.980 1.272 -9.222 1.00 0.00 N ATOM 855 CA ASP A 54 58.630 1.173 -9.847 1.00 0.00 C ATOM 856 C ASP A 54 57.585 0.805 -8.792 1.00 0.00 C ATOM 857 O ASP A 54 56.514 0.326 -9.106 1.00 0.00 O ATOM 858 CB ASP A 54 58.755 0.060 -10.889 1.00 0.00 C ATOM 859 CG ASP A 54 58.026 0.474 -12.168 1.00 0.00 C ATOM 860 OD1 ASP A 54 58.595 1.239 -12.929 1.00 0.00 O ATOM 861 OD2 ASP A 54 56.911 0.019 -12.365 1.00 0.00 O ATOM 0 H ASP A 54 60.160 0.606 -8.471 1.00 0.00 H new ATOM 0 HA ASP A 54 58.312 2.115 -10.294 1.00 0.00 H new ATOM 0 HB2 ASP A 54 59.806 -0.135 -11.104 1.00 0.00 H new ATOM 0 HB3 ASP A 54 58.332 -0.866 -10.500 1.00 0.00 H new ATOM 866 N GLY A 55 57.888 1.025 -7.542 1.00 0.00 N ATOM 867 CA GLY A 55 56.911 0.687 -6.471 1.00 0.00 C ATOM 868 C GLY A 55 57.012 -0.801 -6.135 1.00 0.00 C ATOM 869 O GLY A 55 56.089 -1.391 -5.607 1.00 0.00 O ATOM 0 H GLY A 55 58.769 1.424 -7.217 1.00 0.00 H new ATOM 0 HA2 GLY A 55 57.110 1.285 -5.582 1.00 0.00 H new ATOM 0 HA3 GLY A 55 55.900 0.928 -6.798 1.00 0.00 H new ATOM 873 N THR A 56 58.125 -1.416 -6.431 1.00 0.00 N ATOM 874 CA THR A 56 58.274 -2.868 -6.119 1.00 0.00 C ATOM 875 C THR A 56 58.262 -3.073 -4.602 1.00 0.00 C ATOM 876 O THR A 56 58.239 -2.126 -3.842 1.00 0.00 O ATOM 877 CB THR A 56 59.622 -3.278 -6.717 1.00 0.00 C ATOM 878 OG1 THR A 56 60.267 -2.139 -7.269 1.00 0.00 O ATOM 879 CG2 THR A 56 59.396 -4.321 -7.814 1.00 0.00 C ATOM 0 H THR A 56 58.934 -0.979 -6.873 1.00 0.00 H new ATOM 0 HA THR A 56 57.462 -3.468 -6.530 1.00 0.00 H new ATOM 0 HB THR A 56 60.251 -3.703 -5.935 1.00 0.00 H new ATOM 0 HG1 THR A 56 61.075 -2.420 -7.747 1.00 0.00 H new ATOM 0 HG21 THR A 56 60.355 -4.614 -8.241 1.00 0.00 H new ATOM 0 HG22 THR A 56 58.906 -5.197 -7.388 1.00 0.00 H new ATOM 0 HG23 THR A 56 58.766 -3.896 -8.595 1.00 0.00 H new ATOM 887 N GLU A 57 58.269 -4.297 -4.152 1.00 0.00 N ATOM 888 CA GLU A 57 58.251 -4.544 -2.681 1.00 0.00 C ATOM 889 C GLU A 57 59.412 -5.454 -2.276 1.00 0.00 C ATOM 890 O GLU A 57 59.707 -6.433 -2.934 1.00 0.00 O ATOM 891 CB GLU A 57 56.910 -5.227 -2.412 1.00 0.00 C ATOM 892 CG GLU A 57 55.770 -4.276 -2.786 1.00 0.00 C ATOM 893 CD GLU A 57 55.275 -3.553 -1.533 1.00 0.00 C ATOM 894 OE1 GLU A 57 54.792 -4.224 -0.636 1.00 0.00 O ATOM 895 OE2 GLU A 57 55.385 -2.337 -1.492 1.00 0.00 O ATOM 0 H GLU A 57 58.286 -5.134 -4.735 1.00 0.00 H new ATOM 0 HA GLU A 57 58.363 -3.624 -2.108 1.00 0.00 H new ATOM 0 HB2 GLU A 57 56.835 -6.147 -2.992 1.00 0.00 H new ATOM 0 HB3 GLU A 57 56.836 -5.505 -1.361 1.00 0.00 H new ATOM 0 HG2 GLU A 57 56.114 -3.552 -3.524 1.00 0.00 H new ATOM 0 HG3 GLU A 57 54.953 -4.834 -3.243 1.00 0.00 H new ATOM 902 N VAL A 58 60.072 -5.137 -1.196 1.00 0.00 N ATOM 903 CA VAL A 58 61.217 -5.978 -0.742 1.00 0.00 C ATOM 904 C VAL A 58 61.449 -5.789 0.763 1.00 0.00 C ATOM 905 O VAL A 58 60.825 -4.961 1.398 1.00 0.00 O ATOM 906 CB VAL A 58 62.418 -5.467 -1.542 1.00 0.00 C ATOM 907 CG1 VAL A 58 63.677 -6.227 -1.121 1.00 0.00 C ATOM 908 CG2 VAL A 58 62.168 -5.690 -3.035 1.00 0.00 C ATOM 0 H VAL A 58 59.868 -4.330 -0.607 1.00 0.00 H new ATOM 0 HA VAL A 58 61.042 -7.042 -0.902 1.00 0.00 H new ATOM 0 HB VAL A 58 62.554 -4.403 -1.348 1.00 0.00 H new ATOM 0 HG11 VAL A 58 64.531 -5.862 -1.692 1.00 0.00 H new ATOM 0 HG12 VAL A 58 63.858 -6.071 -0.058 1.00 0.00 H new ATOM 0 HG13 VAL A 58 63.541 -7.291 -1.313 1.00 0.00 H new ATOM 0 HG21 VAL A 58 63.023 -5.326 -3.605 1.00 0.00 H new ATOM 0 HG22 VAL A 58 62.031 -6.754 -3.226 1.00 0.00 H new ATOM 0 HG23 VAL A 58 61.272 -5.148 -3.339 1.00 0.00 H new ATOM 918 N THR A 59 62.342 -6.551 1.336 1.00 0.00 N ATOM 919 CA THR A 59 62.616 -6.415 2.796 1.00 0.00 C ATOM 920 C THR A 59 64.096 -6.088 3.024 1.00 0.00 C ATOM 921 O THR A 59 64.930 -6.317 2.171 1.00 0.00 O ATOM 922 CB THR A 59 62.268 -7.779 3.394 1.00 0.00 C ATOM 923 OG1 THR A 59 62.899 -8.800 2.635 1.00 0.00 O ATOM 924 CG2 THR A 59 60.752 -7.979 3.364 1.00 0.00 C ATOM 0 H THR A 59 62.894 -7.262 0.856 1.00 0.00 H new ATOM 0 HA THR A 59 62.038 -5.612 3.254 1.00 0.00 H new ATOM 0 HB THR A 59 62.617 -7.825 4.426 1.00 0.00 H new ATOM 0 HG1 THR A 59 62.679 -9.675 3.017 1.00 0.00 H new ATOM 0 HG21 THR A 59 60.505 -8.951 3.790 1.00 0.00 H new ATOM 0 HG22 THR A 59 60.270 -7.194 3.947 1.00 0.00 H new ATOM 0 HG23 THR A 59 60.399 -7.934 2.334 1.00 0.00 H new ATOM 932 N ASP A 60 64.429 -5.549 4.167 1.00 0.00 N ATOM 933 CA ASP A 60 65.853 -5.204 4.445 1.00 0.00 C ATOM 934 C ASP A 60 66.716 -6.469 4.491 1.00 0.00 C ATOM 935 O ASP A 60 67.927 -6.402 4.572 1.00 0.00 O ATOM 936 CB ASP A 60 65.839 -4.518 5.815 1.00 0.00 C ATOM 937 CG ASP A 60 65.403 -5.523 6.884 1.00 0.00 C ATOM 938 OD1 ASP A 60 64.220 -5.815 6.948 1.00 0.00 O ATOM 939 OD2 ASP A 60 66.260 -5.982 7.622 1.00 0.00 O ATOM 0 H ASP A 60 63.776 -5.333 4.920 1.00 0.00 H new ATOM 0 HA ASP A 60 66.274 -4.564 3.670 1.00 0.00 H new ATOM 0 HB2 ASP A 60 66.830 -4.129 6.049 1.00 0.00 H new ATOM 0 HB3 ASP A 60 65.158 -3.667 5.801 1.00 0.00 H new ATOM 944 N ASP A 61 66.107 -7.624 4.448 1.00 0.00 N ATOM 945 CA ASP A 61 66.901 -8.886 4.499 1.00 0.00 C ATOM 946 C ASP A 61 66.942 -9.558 3.123 1.00 0.00 C ATOM 947 O ASP A 61 67.746 -10.434 2.875 1.00 0.00 O ATOM 948 CB ASP A 61 66.167 -9.770 5.507 1.00 0.00 C ATOM 949 CG ASP A 61 67.002 -9.890 6.783 1.00 0.00 C ATOM 950 OD1 ASP A 61 68.095 -10.426 6.703 1.00 0.00 O ATOM 951 OD2 ASP A 61 66.534 -9.444 7.818 1.00 0.00 O ATOM 0 H ASP A 61 65.097 -7.748 4.380 1.00 0.00 H new ATOM 0 HA ASP A 61 67.937 -8.706 4.786 1.00 0.00 H new ATOM 0 HB2 ASP A 61 65.191 -9.344 5.737 1.00 0.00 H new ATOM 0 HB3 ASP A 61 65.991 -10.758 5.080 1.00 0.00 H new ATOM 956 N CYS A 62 66.082 -9.160 2.225 1.00 0.00 N ATOM 957 CA CYS A 62 66.081 -9.785 0.871 1.00 0.00 C ATOM 958 C CYS A 62 67.046 -9.046 -0.060 1.00 0.00 C ATOM 959 O CYS A 62 67.755 -9.653 -0.838 1.00 0.00 O ATOM 960 CB CYS A 62 64.643 -9.645 0.370 1.00 0.00 C ATOM 961 SG CYS A 62 63.752 -11.194 0.658 1.00 0.00 S ATOM 0 H CYS A 62 65.382 -8.432 2.369 1.00 0.00 H new ATOM 0 HA CYS A 62 66.405 -10.825 0.900 1.00 0.00 H new ATOM 0 HB2 CYS A 62 64.145 -8.825 0.886 1.00 0.00 H new ATOM 0 HB3 CYS A 62 64.639 -9.402 -0.693 1.00 0.00 H new ATOM 0 HG CYS A 62 62.529 -11.076 0.235 1.00 0.00 H new ATOM 967 N PHE A 63 67.075 -7.741 0.014 1.00 0.00 N ATOM 968 CA PHE A 63 67.992 -6.955 -0.866 1.00 0.00 C ATOM 969 C PHE A 63 69.344 -7.662 -0.993 1.00 0.00 C ATOM 970 O PHE A 63 70.181 -7.566 -0.117 1.00 0.00 O ATOM 971 CB PHE A 63 68.152 -5.608 -0.163 1.00 0.00 C ATOM 972 CG PHE A 63 66.886 -4.804 -0.332 1.00 0.00 C ATOM 973 CD1 PHE A 63 66.487 -4.391 -1.609 1.00 0.00 C ATOM 974 CD2 PHE A 63 66.108 -4.477 0.784 1.00 0.00 C ATOM 975 CE1 PHE A 63 65.312 -3.648 -1.769 1.00 0.00 C ATOM 976 CE2 PHE A 63 64.932 -3.734 0.625 1.00 0.00 C ATOM 977 CZ PHE A 63 64.534 -3.320 -0.652 1.00 0.00 C ATOM 0 H PHE A 63 66.502 -7.184 0.647 1.00 0.00 H new ATOM 0 HA PHE A 63 67.600 -6.844 -1.877 1.00 0.00 H new ATOM 0 HB2 PHE A 63 68.361 -5.760 0.896 1.00 0.00 H new ATOM 0 HB3 PHE A 63 69.000 -5.065 -0.581 1.00 0.00 H new ATOM 0 HD1 PHE A 63 67.086 -4.646 -2.471 1.00 0.00 H new ATOM 0 HD2 PHE A 63 66.415 -4.798 1.769 1.00 0.00 H new ATOM 0 HE1 PHE A 63 65.005 -3.328 -2.754 1.00 0.00 H new ATOM 0 HE2 PHE A 63 64.332 -3.480 1.487 1.00 0.00 H new ATOM 0 HZ PHE A 63 63.627 -2.747 -0.775 1.00 0.00 H new ATOM 987 N PRO A 64 69.507 -8.354 -2.087 1.00 0.00 N ATOM 988 CA PRO A 64 70.765 -9.092 -2.342 1.00 0.00 C ATOM 989 C PRO A 64 71.871 -8.127 -2.779 1.00 0.00 C ATOM 990 O PRO A 64 72.637 -7.642 -1.972 1.00 0.00 O ATOM 991 CB PRO A 64 70.396 -10.049 -3.472 1.00 0.00 C ATOM 992 CG PRO A 64 69.238 -9.407 -4.175 1.00 0.00 C ATOM 993 CD PRO A 64 68.539 -8.511 -3.180 1.00 0.00 C ATOM 0 HA PRO A 64 71.146 -9.609 -1.461 1.00 0.00 H new ATOM 0 HB2 PRO A 64 71.235 -10.197 -4.152 1.00 0.00 H new ATOM 0 HB3 PRO A 64 70.124 -11.030 -3.083 1.00 0.00 H new ATOM 0 HG2 PRO A 64 69.583 -8.830 -5.033 1.00 0.00 H new ATOM 0 HG3 PRO A 64 68.553 -10.165 -4.555 1.00 0.00 H new ATOM 0 HD2 PRO A 64 68.281 -7.549 -3.624 1.00 0.00 H new ATOM 0 HD3 PRO A 64 67.610 -8.958 -2.827 1.00 0.00 H new ATOM 1001 N GLY A 65 71.958 -7.847 -4.050 1.00 0.00 N ATOM 1002 CA GLY A 65 73.013 -6.915 -4.536 1.00 0.00 C ATOM 1003 C GLY A 65 72.360 -5.684 -5.167 1.00 0.00 C ATOM 1004 O GLY A 65 72.453 -5.464 -6.359 1.00 0.00 O ATOM 0 H GLY A 65 71.344 -8.223 -4.773 1.00 0.00 H new ATOM 0 HA2 GLY A 65 73.656 -6.614 -3.709 1.00 0.00 H new ATOM 0 HA3 GLY A 65 73.647 -7.417 -5.266 1.00 0.00 H new ATOM 1008 N LEU A 66 71.704 -4.878 -4.378 1.00 0.00 N ATOM 1009 CA LEU A 66 71.048 -3.659 -4.934 1.00 0.00 C ATOM 1010 C LEU A 66 71.984 -2.971 -5.933 1.00 0.00 C ATOM 1011 O LEU A 66 73.184 -2.942 -5.740 1.00 0.00 O ATOM 1012 CB LEU A 66 70.795 -2.756 -3.726 1.00 0.00 C ATOM 1013 CG LEU A 66 69.407 -3.045 -3.149 1.00 0.00 C ATOM 1014 CD1 LEU A 66 69.431 -2.843 -1.633 1.00 0.00 C ATOM 1015 CD2 LEU A 66 68.388 -2.088 -3.771 1.00 0.00 C ATOM 0 H LEU A 66 71.593 -5.010 -3.373 1.00 0.00 H new ATOM 0 HA LEU A 66 70.125 -3.891 -5.466 1.00 0.00 H new ATOM 0 HB2 LEU A 66 71.558 -2.926 -2.966 1.00 0.00 H new ATOM 0 HB3 LEU A 66 70.866 -1.709 -4.021 1.00 0.00 H new ATOM 0 HG LEU A 66 69.128 -4.074 -3.375 1.00 0.00 H new ATOM 0 HD11 LEU A 66 68.442 -3.049 -1.223 1.00 0.00 H new ATOM 0 HD12 LEU A 66 70.158 -3.522 -1.187 1.00 0.00 H new ATOM 0 HD13 LEU A 66 69.710 -1.814 -1.407 1.00 0.00 H new ATOM 0 HD21 LEU A 66 67.399 -2.293 -3.361 1.00 0.00 H new ATOM 0 HD22 LEU A 66 68.669 -1.060 -3.544 1.00 0.00 H new ATOM 0 HD23 LEU A 66 68.369 -2.229 -4.852 1.00 0.00 H new ATOM 1027 N PRO A 67 71.399 -2.440 -6.970 1.00 0.00 N ATOM 1028 CA PRO A 67 72.188 -1.743 -8.017 1.00 0.00 C ATOM 1029 C PRO A 67 72.702 -0.398 -7.494 1.00 0.00 C ATOM 1030 O PRO A 67 72.281 0.079 -6.459 1.00 0.00 O ATOM 1031 CB PRO A 67 71.185 -1.546 -9.149 1.00 0.00 C ATOM 1032 CG PRO A 67 69.843 -1.562 -8.488 1.00 0.00 C ATOM 1033 CD PRO A 67 69.963 -2.435 -7.264 1.00 0.00 C ATOM 0 HA PRO A 67 73.071 -2.299 -8.332 1.00 0.00 H new ATOM 0 HB2 PRO A 67 71.357 -0.603 -9.669 1.00 0.00 H new ATOM 0 HB3 PRO A 67 71.268 -2.339 -9.892 1.00 0.00 H new ATOM 0 HG2 PRO A 67 69.537 -0.553 -8.213 1.00 0.00 H new ATOM 0 HG3 PRO A 67 69.084 -1.952 -9.166 1.00 0.00 H new ATOM 0 HD2 PRO A 67 69.386 -2.034 -6.430 1.00 0.00 H new ATOM 0 HD3 PRO A 67 69.591 -3.442 -7.454 1.00 0.00 H new ATOM 1041 N ASN A 68 73.615 0.213 -8.201 1.00 0.00 N ATOM 1042 CA ASN A 68 74.162 1.523 -7.745 1.00 0.00 C ATOM 1043 C ASN A 68 73.026 2.504 -7.453 1.00 0.00 C ATOM 1044 O ASN A 68 71.951 2.410 -8.012 1.00 0.00 O ATOM 1045 CB ASN A 68 75.022 2.022 -8.907 1.00 0.00 C ATOM 1046 CG ASN A 68 76.282 2.699 -8.361 1.00 0.00 C ATOM 1047 OD1 ASN A 68 76.243 3.335 -7.326 1.00 0.00 O ATOM 1048 ND2 ASN A 68 77.404 2.587 -9.018 1.00 0.00 N ATOM 0 H ASN A 68 74.006 -0.139 -9.075 1.00 0.00 H new ATOM 0 HA ASN A 68 74.738 1.429 -6.824 1.00 0.00 H new ATOM 0 HB2 ASN A 68 75.296 1.188 -9.554 1.00 0.00 H new ATOM 0 HB3 ASN A 68 74.455 2.725 -9.517 1.00 0.00 H new ATOM 0 HD21 ASN A 68 78.250 3.033 -8.663 1.00 0.00 H new ATOM 0 HD22 ASN A 68 77.435 2.053 -9.886 1.00 0.00 H new ATOM 1055 N ASP A 69 73.258 3.441 -6.574 1.00 0.00 N ATOM 1056 CA ASP A 69 72.195 4.425 -6.233 1.00 0.00 C ATOM 1057 C ASP A 69 70.853 3.709 -6.091 1.00 0.00 C ATOM 1058 O ASP A 69 69.822 4.206 -6.495 1.00 0.00 O ATOM 1059 CB ASP A 69 72.164 5.409 -7.403 1.00 0.00 C ATOM 1060 CG ASP A 69 72.030 6.835 -6.867 1.00 0.00 C ATOM 1061 OD1 ASP A 69 73.017 7.359 -6.381 1.00 0.00 O ATOM 1062 OD2 ASP A 69 70.939 7.378 -6.952 1.00 0.00 O ATOM 0 H ASP A 69 74.140 3.566 -6.077 1.00 0.00 H new ATOM 0 HA ASP A 69 72.388 4.934 -5.289 1.00 0.00 H new ATOM 0 HB2 ASP A 69 73.075 5.316 -7.995 1.00 0.00 H new ATOM 0 HB3 ASP A 69 71.329 5.178 -8.064 1.00 0.00 H new ATOM 1067 N ALA A 70 70.867 2.541 -5.516 1.00 0.00 N ATOM 1068 CA ALA A 70 69.593 1.782 -5.341 1.00 0.00 C ATOM 1069 C ALA A 70 68.562 2.648 -4.611 1.00 0.00 C ATOM 1070 O ALA A 70 68.756 3.035 -3.475 1.00 0.00 O ATOM 1071 CB ALA A 70 69.966 0.561 -4.499 1.00 0.00 C ATOM 0 H ALA A 70 71.702 2.077 -5.159 1.00 0.00 H new ATOM 0 HA ALA A 70 69.149 1.494 -6.294 1.00 0.00 H new ATOM 0 HB1 ALA A 70 69.078 -0.048 -4.328 1.00 0.00 H new ATOM 0 HB2 ALA A 70 70.715 -0.030 -5.027 1.00 0.00 H new ATOM 0 HB3 ALA A 70 70.371 0.889 -3.542 1.00 0.00 H new ATOM 1077 N GLU A 71 67.470 2.958 -5.255 1.00 0.00 N ATOM 1078 CA GLU A 71 66.431 3.803 -4.598 1.00 0.00 C ATOM 1079 C GLU A 71 65.436 2.925 -3.834 1.00 0.00 C ATOM 1080 O GLU A 71 64.622 2.238 -4.419 1.00 0.00 O ATOM 1081 CB GLU A 71 65.732 4.535 -5.744 1.00 0.00 C ATOM 1082 CG GLU A 71 66.381 5.905 -5.947 1.00 0.00 C ATOM 1083 CD GLU A 71 66.463 6.215 -7.442 1.00 0.00 C ATOM 1084 OE1 GLU A 71 67.455 5.847 -8.050 1.00 0.00 O ATOM 1085 OE2 GLU A 71 65.532 6.814 -7.955 1.00 0.00 O ATOM 0 H GLU A 71 67.252 2.663 -6.207 1.00 0.00 H new ATOM 0 HA GLU A 71 66.861 4.495 -3.874 1.00 0.00 H new ATOM 0 HB2 GLU A 71 65.802 3.949 -6.660 1.00 0.00 H new ATOM 0 HB3 GLU A 71 64.672 4.653 -5.521 1.00 0.00 H new ATOM 0 HG2 GLU A 71 65.800 6.673 -5.437 1.00 0.00 H new ATOM 0 HG3 GLU A 71 67.378 5.915 -5.508 1.00 0.00 H new ATOM 1092 N LEU A 72 65.493 2.945 -2.531 1.00 0.00 N ATOM 1093 CA LEU A 72 64.549 2.116 -1.727 1.00 0.00 C ATOM 1094 C LEU A 72 63.657 3.019 -0.872 1.00 0.00 C ATOM 1095 O LEU A 72 63.980 4.162 -0.617 1.00 0.00 O ATOM 1096 CB LEU A 72 65.444 1.250 -0.840 1.00 0.00 C ATOM 1097 CG LEU A 72 65.567 -0.149 -1.448 1.00 0.00 C ATOM 1098 CD1 LEU A 72 65.960 -0.036 -2.921 1.00 0.00 C ATOM 1099 CD2 LEU A 72 66.641 -0.937 -0.693 1.00 0.00 C ATOM 0 H LEU A 72 66.153 3.500 -1.987 1.00 0.00 H new ATOM 0 HA LEU A 72 63.888 1.514 -2.351 1.00 0.00 H new ATOM 0 HB2 LEU A 72 66.430 1.705 -0.746 1.00 0.00 H new ATOM 0 HB3 LEU A 72 65.025 1.186 0.164 1.00 0.00 H new ATOM 0 HG LEU A 72 64.610 -0.665 -1.368 1.00 0.00 H new ATOM 0 HD11 LEU A 72 66.047 -1.033 -3.352 1.00 0.00 H new ATOM 0 HD12 LEU A 72 65.197 0.526 -3.459 1.00 0.00 H new ATOM 0 HD13 LEU A 72 66.917 0.480 -3.004 1.00 0.00 H new ATOM 0 HD21 LEU A 72 66.731 -1.934 -1.124 1.00 0.00 H new ATOM 0 HD22 LEU A 72 67.597 -0.419 -0.774 1.00 0.00 H new ATOM 0 HD23 LEU A 72 66.361 -1.019 0.357 1.00 0.00 H new ATOM 1111 N LEU A 73 62.535 2.520 -0.428 1.00 0.00 N ATOM 1112 CA LEU A 73 61.632 3.362 0.407 1.00 0.00 C ATOM 1113 C LEU A 73 61.132 2.576 1.623 1.00 0.00 C ATOM 1114 O LEU A 73 60.814 1.407 1.532 1.00 0.00 O ATOM 1115 CB LEU A 73 60.465 3.726 -0.512 1.00 0.00 C ATOM 1116 CG LEU A 73 59.500 4.651 0.233 1.00 0.00 C ATOM 1117 CD1 LEU A 73 59.383 5.977 -0.521 1.00 0.00 C ATOM 1118 CD2 LEU A 73 58.124 3.990 0.317 1.00 0.00 C ATOM 0 H LEU A 73 62.206 1.571 -0.606 1.00 0.00 H new ATOM 0 HA LEU A 73 62.141 4.245 0.793 1.00 0.00 H new ATOM 0 HB2 LEU A 73 60.836 4.218 -1.411 1.00 0.00 H new ATOM 0 HB3 LEU A 73 59.946 2.823 -0.833 1.00 0.00 H new ATOM 0 HG LEU A 73 59.876 4.836 1.239 1.00 0.00 H new ATOM 0 HD11 LEU A 73 58.696 6.637 0.008 1.00 0.00 H new ATOM 0 HD12 LEU A 73 60.364 6.448 -0.583 1.00 0.00 H new ATOM 0 HD13 LEU A 73 59.006 5.792 -1.527 1.00 0.00 H new ATOM 0 HD21 LEU A 73 57.436 4.648 0.848 1.00 0.00 H new ATOM 0 HD22 LEU A 73 57.747 3.806 -0.689 1.00 0.00 H new ATOM 0 HD23 LEU A 73 58.207 3.044 0.852 1.00 0.00 H new ATOM 1130 N LEU A 74 61.058 3.215 2.758 1.00 0.00 N ATOM 1131 CA LEU A 74 60.577 2.519 3.985 1.00 0.00 C ATOM 1132 C LEU A 74 59.046 2.448 3.982 1.00 0.00 C ATOM 1133 O LEU A 74 58.377 3.353 3.524 1.00 0.00 O ATOM 1134 CB LEU A 74 61.069 3.387 5.144 1.00 0.00 C ATOM 1135 CG LEU A 74 61.213 2.534 6.404 1.00 0.00 C ATOM 1136 CD1 LEU A 74 62.281 1.463 6.177 1.00 0.00 C ATOM 1137 CD2 LEU A 74 61.629 3.429 7.574 1.00 0.00 C ATOM 0 H LEU A 74 61.311 4.194 2.889 1.00 0.00 H new ATOM 0 HA LEU A 74 60.944 1.495 4.055 1.00 0.00 H new ATOM 0 HB2 LEU A 74 62.027 3.841 4.890 1.00 0.00 H new ATOM 0 HB3 LEU A 74 60.368 4.202 5.323 1.00 0.00 H new ATOM 0 HG LEU A 74 60.261 2.053 6.630 1.00 0.00 H new ATOM 0 HD11 LEU A 74 62.383 0.855 7.076 1.00 0.00 H new ATOM 0 HD12 LEU A 74 61.988 0.828 5.341 1.00 0.00 H new ATOM 0 HD13 LEU A 74 63.234 1.942 5.952 1.00 0.00 H new ATOM 0 HD21 LEU A 74 61.733 2.825 8.475 1.00 0.00 H new ATOM 0 HD22 LEU A 74 62.582 3.907 7.346 1.00 0.00 H new ATOM 0 HD23 LEU A 74 60.869 4.193 7.735 1.00 0.00 H new ATOM 1149 N LEU A 75 58.483 1.383 4.487 1.00 0.00 N ATOM 1150 CA LEU A 75 56.998 1.273 4.505 1.00 0.00 C ATOM 1151 C LEU A 75 56.563 0.351 5.645 1.00 0.00 C ATOM 1152 O LEU A 75 57.340 -0.436 6.144 1.00 0.00 O ATOM 1153 CB LEU A 75 56.634 0.673 3.144 1.00 0.00 C ATOM 1154 CG LEU A 75 55.185 0.189 3.161 1.00 0.00 C ATOM 1155 CD1 LEU A 75 54.609 0.251 1.745 1.00 0.00 C ATOM 1156 CD2 LEU A 75 55.136 -1.257 3.663 1.00 0.00 C ATOM 0 H LEU A 75 58.985 0.589 4.885 1.00 0.00 H new ATOM 0 HA LEU A 75 56.504 2.231 4.667 1.00 0.00 H new ATOM 0 HB2 LEU A 75 56.769 1.418 2.360 1.00 0.00 H new ATOM 0 HB3 LEU A 75 57.301 -0.157 2.912 1.00 0.00 H new ATOM 0 HG LEU A 75 54.598 0.827 3.822 1.00 0.00 H new ATOM 0 HD11 LEU A 75 53.575 -0.094 1.757 1.00 0.00 H new ATOM 0 HD12 LEU A 75 54.644 1.278 1.383 1.00 0.00 H new ATOM 0 HD13 LEU A 75 55.197 -0.387 1.085 1.00 0.00 H new ATOM 0 HD21 LEU A 75 54.102 -1.603 3.675 1.00 0.00 H new ATOM 0 HD22 LEU A 75 55.723 -1.892 3.000 1.00 0.00 H new ATOM 0 HD23 LEU A 75 55.547 -1.306 4.671 1.00 0.00 H new ATOM 1168 N THR A 76 55.334 0.444 6.066 1.00 0.00 N ATOM 1169 CA THR A 76 54.859 -0.430 7.177 1.00 0.00 C ATOM 1170 C THR A 76 53.353 -0.663 7.043 1.00 0.00 C ATOM 1171 O THR A 76 52.682 -0.006 6.273 1.00 0.00 O ATOM 1172 CB THR A 76 55.172 0.343 8.461 1.00 0.00 C ATOM 1173 OG1 THR A 76 54.271 1.436 8.585 1.00 0.00 O ATOM 1174 CG2 THR A 76 56.608 0.865 8.408 1.00 0.00 C ATOM 0 H THR A 76 54.637 1.087 5.690 1.00 0.00 H new ATOM 0 HA THR A 76 55.340 -1.408 7.171 1.00 0.00 H new ATOM 0 HB THR A 76 55.061 -0.319 9.320 1.00 0.00 H new ATOM 0 HG1 THR A 76 54.469 1.931 9.407 1.00 0.00 H new ATOM 0 HG21 THR A 76 56.829 1.415 9.323 1.00 0.00 H new ATOM 0 HG22 THR A 76 57.297 0.026 8.314 1.00 0.00 H new ATOM 0 HG23 THR A 76 56.723 1.527 7.550 1.00 0.00 H new ATOM 1182 N ALA A 77 52.815 -1.594 7.782 1.00 0.00 N ATOM 1183 CA ALA A 77 51.352 -1.861 7.687 1.00 0.00 C ATOM 1184 C ALA A 77 50.574 -0.545 7.709 1.00 0.00 C ATOM 1185 O ALA A 77 49.511 -0.430 7.132 1.00 0.00 O ATOM 1186 CB ALA A 77 51.019 -2.706 8.917 1.00 0.00 C ATOM 0 H ALA A 77 53.323 -2.179 8.445 1.00 0.00 H new ATOM 0 HA ALA A 77 51.085 -2.372 6.762 1.00 0.00 H new ATOM 0 HB1 ALA A 77 49.955 -2.944 8.918 1.00 0.00 H new ATOM 0 HB2 ALA A 77 51.597 -3.630 8.891 1.00 0.00 H new ATOM 0 HB3 ALA A 77 51.267 -2.148 9.820 1.00 0.00 H new ATOM 1192 N GLY A 78 51.097 0.453 8.366 1.00 0.00 N ATOM 1193 CA GLY A 78 50.388 1.761 8.418 1.00 0.00 C ATOM 1194 C GLY A 78 50.895 2.650 7.283 1.00 0.00 C ATOM 1195 O GLY A 78 50.833 3.861 7.357 1.00 0.00 O ATOM 0 H GLY A 78 51.984 0.419 8.869 1.00 0.00 H new ATOM 0 HA2 GLY A 78 49.313 1.610 8.325 1.00 0.00 H new ATOM 0 HA3 GLY A 78 50.560 2.244 9.380 1.00 0.00 H new ATOM 1199 N GLU A 79 51.399 2.059 6.235 1.00 0.00 N ATOM 1200 CA GLU A 79 51.914 2.876 5.099 1.00 0.00 C ATOM 1201 C GLU A 79 51.892 2.067 3.800 1.00 0.00 C ATOM 1202 O GLU A 79 51.981 0.855 3.808 1.00 0.00 O ATOM 1203 CB GLU A 79 53.350 3.225 5.487 1.00 0.00 C ATOM 1204 CG GLU A 79 53.431 4.707 5.858 1.00 0.00 C ATOM 1205 CD GLU A 79 53.086 5.559 4.636 1.00 0.00 C ATOM 1206 OE1 GLU A 79 52.477 5.028 3.722 1.00 0.00 O ATOM 1207 OE2 GLU A 79 53.436 6.728 4.635 1.00 0.00 O ATOM 0 H GLU A 79 51.477 1.049 6.116 1.00 0.00 H new ATOM 0 HA GLU A 79 51.307 3.764 4.924 1.00 0.00 H new ATOM 0 HB2 GLU A 79 53.671 2.610 6.328 1.00 0.00 H new ATOM 0 HB3 GLU A 79 54.025 3.009 4.659 1.00 0.00 H new ATOM 0 HG2 GLU A 79 52.742 4.927 6.674 1.00 0.00 H new ATOM 0 HG3 GLU A 79 54.433 4.950 6.213 1.00 0.00 H new ATOM 1214 N THR A 80 51.776 2.731 2.683 1.00 0.00 N ATOM 1215 CA THR A 80 51.751 2.010 1.379 1.00 0.00 C ATOM 1216 C THR A 80 52.303 2.917 0.274 1.00 0.00 C ATOM 1217 O THR A 80 52.006 4.094 0.220 1.00 0.00 O ATOM 1218 CB THR A 80 50.273 1.699 1.132 1.00 0.00 C ATOM 1219 OG1 THR A 80 49.471 2.446 2.037 1.00 0.00 O ATOM 1220 CG2 THR A 80 50.021 0.204 1.339 1.00 0.00 C ATOM 0 H THR A 80 51.697 3.746 2.617 1.00 0.00 H new ATOM 0 HA THR A 80 52.361 1.107 1.387 1.00 0.00 H new ATOM 0 HB THR A 80 50.013 1.971 0.109 1.00 0.00 H new ATOM 0 HG1 THR A 80 48.525 2.247 1.876 1.00 0.00 H new ATOM 0 HG21 THR A 80 48.968 -0.015 1.163 1.00 0.00 H new ATOM 0 HG22 THR A 80 50.633 -0.368 0.641 1.00 0.00 H new ATOM 0 HG23 THR A 80 50.283 -0.071 2.361 1.00 0.00 H new ATOM 1228 N TRP A 81 53.111 2.385 -0.606 1.00 0.00 N ATOM 1229 CA TRP A 81 53.681 3.230 -1.698 1.00 0.00 C ATOM 1230 C TRP A 81 53.039 2.884 -3.044 1.00 0.00 C ATOM 1231 O TRP A 81 52.875 1.730 -3.389 1.00 0.00 O ATOM 1232 CB TRP A 81 55.172 2.897 -1.719 1.00 0.00 C ATOM 1233 CG TRP A 81 55.788 3.449 -2.966 1.00 0.00 C ATOM 1234 CD1 TRP A 81 56.648 2.782 -3.768 1.00 0.00 C ATOM 1235 CD2 TRP A 81 55.608 4.766 -3.565 1.00 0.00 C ATOM 1236 NE1 TRP A 81 57.005 3.604 -4.822 1.00 0.00 N ATOM 1237 CE2 TRP A 81 56.391 4.836 -4.741 1.00 0.00 C ATOM 1238 CE3 TRP A 81 54.848 5.894 -3.207 1.00 0.00 C ATOM 1239 CZ2 TRP A 81 56.420 5.985 -5.532 1.00 0.00 C ATOM 1240 CZ3 TRP A 81 54.875 7.052 -4.001 1.00 0.00 C ATOM 1241 CH2 TRP A 81 55.660 7.097 -5.161 1.00 0.00 C ATOM 0 H TRP A 81 53.400 1.407 -0.616 1.00 0.00 H new ATOM 0 HA TRP A 81 53.497 4.291 -1.528 1.00 0.00 H new ATOM 0 HB2 TRP A 81 55.662 3.318 -0.841 1.00 0.00 H new ATOM 0 HB3 TRP A 81 55.315 1.817 -1.677 1.00 0.00 H new ATOM 0 HD1 TRP A 81 56.999 1.773 -3.612 1.00 0.00 H new ATOM 0 HE1 TRP A 81 57.645 3.332 -5.568 1.00 0.00 H new ATOM 0 HE3 TRP A 81 54.239 5.869 -2.315 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 57.026 6.015 -6.425 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 54.288 7.912 -3.716 1.00 0.00 H new ATOM 0 HH2 TRP A 81 55.677 7.990 -5.768 1.00 0.00 H new ATOM 1252 N HIS A 82 52.677 3.879 -3.808 1.00 0.00 N ATOM 1253 CA HIS A 82 52.047 3.617 -5.134 1.00 0.00 C ATOM 1254 C HIS A 82 53.096 3.113 -6.132 1.00 0.00 C ATOM 1255 O HIS A 82 53.184 1.934 -6.412 1.00 0.00 O ATOM 1256 CB HIS A 82 51.489 4.970 -5.578 1.00 0.00 C ATOM 1257 CG HIS A 82 49.988 4.892 -5.655 1.00 0.00 C ATOM 1258 ND1 HIS A 82 49.328 3.745 -6.065 1.00 0.00 N ATOM 1259 CD2 HIS A 82 49.006 5.810 -5.378 1.00 0.00 C ATOM 1260 CE1 HIS A 82 48.008 4.000 -6.024 1.00 0.00 C ATOM 1261 NE2 HIS A 82 47.756 5.245 -5.611 1.00 0.00 N ATOM 0 H HIS A 82 52.791 4.864 -3.570 1.00 0.00 H new ATOM 0 HA HIS A 82 51.272 2.853 -5.080 1.00 0.00 H new ATOM 0 HB2 HIS A 82 51.788 5.747 -4.875 1.00 0.00 H new ATOM 0 HB3 HIS A 82 51.900 5.244 -6.550 1.00 0.00 H new ATOM 0 HD2 HIS A 82 49.178 6.818 -5.032 1.00 0.00 H new ATOM 0 HE1 HIS A 82 47.245 3.285 -6.292 1.00 0.00 H new ATOM 0 HE2 HIS A 82 46.844 5.686 -5.492 1.00 0.00 H new ATOM 1269 N GLY A 83 53.892 3.997 -6.674 1.00 0.00 N ATOM 1270 CA GLY A 83 54.931 3.564 -7.653 1.00 0.00 C ATOM 1271 C GLY A 83 55.628 4.792 -8.244 1.00 0.00 C ATOM 1272 O GLY A 83 55.290 5.918 -7.936 1.00 0.00 O ATOM 0 H GLY A 83 53.867 4.998 -6.481 1.00 0.00 H new ATOM 0 HA2 GLY A 83 55.661 2.921 -7.162 1.00 0.00 H new ATOM 0 HA3 GLY A 83 54.472 2.976 -8.448 1.00 0.00 H new ATOM 1276 N TYR A 84 56.599 4.584 -9.093 1.00 0.00 N ATOM 1277 CA TYR A 84 57.317 5.741 -9.702 1.00 0.00 C ATOM 1278 C TYR A 84 56.546 6.264 -10.916 1.00 0.00 C ATOM 1279 O TYR A 84 56.140 5.510 -11.779 1.00 0.00 O ATOM 1280 CB TYR A 84 58.677 5.187 -10.129 1.00 0.00 C ATOM 1281 CG TYR A 84 59.573 6.324 -10.561 1.00 0.00 C ATOM 1282 CD1 TYR A 84 60.209 7.120 -9.601 1.00 0.00 C ATOM 1283 CD2 TYR A 84 59.767 6.583 -11.924 1.00 0.00 C ATOM 1284 CE1 TYR A 84 61.041 8.173 -10.003 1.00 0.00 C ATOM 1285 CE2 TYR A 84 60.598 7.635 -12.325 1.00 0.00 C ATOM 1286 CZ TYR A 84 61.235 8.431 -11.365 1.00 0.00 C ATOM 1287 OH TYR A 84 62.054 9.468 -11.761 1.00 0.00 O ATOM 0 H TYR A 84 56.925 3.665 -9.391 1.00 0.00 H new ATOM 0 HA TYR A 84 57.417 6.574 -9.007 1.00 0.00 H new ATOM 0 HB2 TYR A 84 59.135 4.643 -9.303 1.00 0.00 H new ATOM 0 HB3 TYR A 84 58.552 4.478 -10.947 1.00 0.00 H new ATOM 0 HD1 TYR A 84 60.058 6.922 -8.550 1.00 0.00 H new ATOM 0 HD2 TYR A 84 59.275 5.971 -12.665 1.00 0.00 H new ATOM 0 HE1 TYR A 84 61.533 8.786 -9.262 1.00 0.00 H new ATOM 0 HE2 TYR A 84 60.748 7.833 -13.376 1.00 0.00 H new ATOM 0 HH TYR A 84 62.080 9.509 -12.740 1.00 0.00 H new ATOM 1297 N VAL A 85 56.339 7.550 -10.989 1.00 0.00 N ATOM 1298 CA VAL A 85 55.594 8.125 -12.142 1.00 0.00 C ATOM 1299 C VAL A 85 56.539 8.363 -13.322 1.00 0.00 C ATOM 1300 O VAL A 85 57.638 8.856 -13.161 1.00 0.00 O ATOM 1301 CB VAL A 85 55.044 9.450 -11.618 1.00 0.00 C ATOM 1302 CG1 VAL A 85 54.298 9.207 -10.305 1.00 0.00 C ATOM 1303 CG2 VAL A 85 56.203 10.420 -11.373 1.00 0.00 C ATOM 0 H VAL A 85 56.655 8.229 -10.297 1.00 0.00 H new ATOM 0 HA VAL A 85 54.806 7.463 -12.502 1.00 0.00 H new ATOM 0 HB VAL A 85 54.360 9.877 -12.352 1.00 0.00 H new ATOM 0 HG11 VAL A 85 53.905 10.152 -9.930 1.00 0.00 H new ATOM 0 HG12 VAL A 85 53.474 8.514 -10.477 1.00 0.00 H new ATOM 0 HG13 VAL A 85 54.982 8.782 -9.571 1.00 0.00 H new ATOM 0 HG21 VAL A 85 55.812 11.366 -10.999 1.00 0.00 H new ATOM 0 HG22 VAL A 85 56.885 9.993 -10.638 1.00 0.00 H new ATOM 0 HG23 VAL A 85 56.737 10.592 -12.307 1.00 0.00 H new ATOM 1313 N SER A 86 56.119 8.018 -14.510 1.00 0.00 N ATOM 1314 CA SER A 86 56.993 8.227 -15.700 1.00 0.00 C ATOM 1315 C SER A 86 56.408 9.321 -16.596 1.00 0.00 C ATOM 1316 O SER A 86 55.547 9.071 -17.417 1.00 0.00 O ATOM 1317 CB SER A 86 56.999 6.884 -16.429 1.00 0.00 C ATOM 1318 OG SER A 86 58.034 6.884 -17.405 1.00 0.00 O ATOM 0 H SER A 86 55.209 7.601 -14.707 1.00 0.00 H new ATOM 0 HA SER A 86 57.999 8.544 -15.424 1.00 0.00 H new ATOM 0 HB2 SER A 86 57.153 6.072 -15.718 1.00 0.00 H new ATOM 0 HB3 SER A 86 56.034 6.711 -16.905 1.00 0.00 H new ATOM 0 HG SER A 86 58.042 6.023 -17.874 1.00 0.00 H new ATOM 1324 N ASP A 87 56.867 10.533 -16.445 1.00 0.00 N ATOM 1325 CA ASP A 87 56.336 11.643 -17.287 1.00 0.00 C ATOM 1326 C ASP A 87 57.449 12.646 -17.606 1.00 0.00 C ATOM 1327 O ASP A 87 58.302 12.318 -18.414 1.00 0.00 O ATOM 1328 CB ASP A 87 55.250 12.300 -16.436 1.00 0.00 C ATOM 1329 CG ASP A 87 55.779 12.522 -15.018 1.00 0.00 C ATOM 1330 OD1 ASP A 87 55.694 11.600 -14.223 1.00 0.00 O ATOM 1331 OD2 ASP A 87 56.262 13.610 -14.751 1.00 0.00 O ATOM 1332 OXT ASP A 87 57.428 13.725 -17.036 1.00 0.00 O ATOM 0 H ASP A 87 57.587 10.803 -15.775 1.00 0.00 H new ATOM 0 HA ASP A 87 55.947 11.288 -18.241 1.00 0.00 H new ATOM 0 HB2 ASP A 87 54.952 13.251 -16.878 1.00 0.00 H new ATOM 0 HB3 ASP A 87 54.362 11.669 -16.410 1.00 0.00 H new TER 1337 ASP A 87