USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 858 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 Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.017 X(o=-0.017,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HE2:sc= 0.412 K(o=0.41,f=-3.3!) USER MOD Single : A 24 ASN : amide:sc= -0.0678 X(o=-0.068,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.0793 K(o=-0.079,f=-2.1!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.248 K(o=-0.25,f=-2.6!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0111 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 167:sc= -0.781! USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 SER OG : rot 180:sc= 0 USER MOD Single : B 19 TYR OH : rot 180:sc= 0 USER MOD Single : B 21 GLN : amide:sc=-0.00864 X(o=-0.0086,f=0) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 HIS : no HE2:sc= 0.476 K(o=0.48,f=-3.5!) USER MOD Single : B 24 ASN : amide:sc= -0.082 X(o=-0.082,f=0) USER MOD Single : B 26 GLN : amide:sc= -0.0621 K(o=-0.062,f=-2.1!) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 SER OG : rot 180:sc= 0 USER MOD Single : B 35 GLN : amide:sc= -0.258 K(o=-0.26,f=-2.4!) USER MOD Single : B 38 THR OG1 : rot 180:sc= 0.0304 USER MOD Single : B 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 51 TYR OH : rot 173:sc= -0.666! USER MOD Single : B 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 12 -15.181 16.366 1.866 1.00 0.00 N ATOM 2 CA SER A 12 -15.098 15.197 2.787 1.00 0.00 C ATOM 3 C SER A 12 -16.023 15.406 3.991 1.00 0.00 C ATOM 4 O SER A 12 -16.343 16.521 4.352 1.00 0.00 O ATOM 5 CB SER A 12 -13.638 15.148 3.232 1.00 0.00 C ATOM 6 OG SER A 12 -13.494 14.187 4.271 1.00 0.00 O ATOM 0 HA SER A 12 -15.408 14.269 2.307 1.00 0.00 H new ATOM 0 HB2 SER A 12 -12.998 14.888 2.389 1.00 0.00 H new ATOM 0 HB3 SER A 12 -13.320 16.130 3.583 1.00 0.00 H new ATOM 0 HG SER A 12 -12.557 14.152 4.557 1.00 0.00 H new ATOM 14 N LEU A 13 -16.450 14.342 4.612 1.00 0.00 N ATOM 15 CA LEU A 13 -17.354 14.480 5.791 1.00 0.00 C ATOM 16 C LEU A 13 -16.645 15.238 6.918 1.00 0.00 C ATOM 17 O LEU A 13 -15.433 15.306 6.967 1.00 0.00 O ATOM 18 CB LEU A 13 -17.666 13.046 6.224 1.00 0.00 C ATOM 19 CG LEU A 13 -19.051 12.641 5.713 1.00 0.00 C ATOM 20 CD1 LEU A 13 -20.112 13.556 6.326 1.00 0.00 C ATOM 21 CD2 LEU A 13 -19.088 12.767 4.187 1.00 0.00 C ATOM 0 H LEU A 13 -16.213 13.384 4.356 1.00 0.00 H new ATOM 0 HA LEU A 13 -18.258 15.040 5.552 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -16.910 12.365 5.832 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -17.632 12.969 7.311 1.00 0.00 H new ATOM 0 HG LEU A 13 -19.255 11.609 5.999 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -21.097 13.266 5.961 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -20.086 13.466 7.412 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -19.910 14.589 6.043 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -20.074 12.479 3.822 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -18.883 13.799 3.902 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -18.334 12.113 3.750 1.00 0.00 H new ATOM 33 N ARG A 14 -17.393 15.805 7.824 1.00 0.00 N ATOM 34 CA ARG A 14 -16.764 16.558 8.948 1.00 0.00 C ATOM 35 C ARG A 14 -16.356 15.590 10.063 1.00 0.00 C ATOM 36 O ARG A 14 -15.190 15.446 10.376 1.00 0.00 O ATOM 37 CB ARG A 14 -17.848 17.516 9.440 1.00 0.00 C ATOM 38 CG ARG A 14 -17.308 18.947 9.437 1.00 0.00 C ATOM 39 CD ARG A 14 -18.377 19.896 9.988 1.00 0.00 C ATOM 40 NE ARG A 14 -19.182 20.294 8.801 1.00 0.00 N ATOM 41 CZ ARG A 14 -19.109 21.514 8.343 1.00 0.00 C ATOM 42 NH1 ARG A 14 -17.951 22.108 8.244 1.00 0.00 N ATOM 43 NH2 ARG A 14 -20.197 22.142 7.982 1.00 0.00 N ATOM 0 H ARG A 14 -18.413 15.780 7.835 1.00 0.00 H new ATOM 0 HA ARG A 14 -15.863 17.089 8.639 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -18.727 17.447 8.799 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -18.164 17.238 10.445 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -16.405 19.008 10.044 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -17.032 19.241 8.424 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -18.995 19.402 10.738 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -17.925 20.764 10.469 1.00 0.00 H new ATOM 0 HE ARG A 14 -19.790 19.614 8.346 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -17.101 21.619 8.525 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -17.896 23.061 7.886 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -21.102 21.679 8.058 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -20.141 23.095 7.624 1.00 0.00 H new ATOM 57 N GLU A 15 -17.306 14.928 10.662 1.00 0.00 N ATOM 58 CA GLU A 15 -16.974 13.971 11.756 1.00 0.00 C ATOM 59 C GLU A 15 -15.969 12.927 11.258 1.00 0.00 C ATOM 60 O GLU A 15 -15.181 12.400 12.018 1.00 0.00 O ATOM 61 CB GLU A 15 -18.302 13.307 12.118 1.00 0.00 C ATOM 62 CG GLU A 15 -19.032 14.161 13.157 1.00 0.00 C ATOM 63 CD GLU A 15 -18.740 13.620 14.558 1.00 0.00 C ATOM 64 OE1 GLU A 15 -19.037 12.461 14.798 1.00 0.00 O ATOM 65 OE2 GLU A 15 -18.224 14.373 15.367 1.00 0.00 O ATOM 0 H GLU A 15 -18.299 15.008 10.442 1.00 0.00 H new ATOM 0 HA GLU A 15 -16.519 14.466 12.614 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -18.919 13.193 11.227 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -18.125 12.307 12.513 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -18.709 15.199 13.082 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -20.105 14.146 12.966 1.00 0.00 H new ATOM 72 N CYS A 16 -15.990 12.626 9.988 1.00 0.00 N ATOM 73 CA CYS A 16 -15.035 11.616 9.448 1.00 0.00 C ATOM 74 C CYS A 16 -13.641 12.234 9.306 1.00 0.00 C ATOM 75 O CYS A 16 -12.637 11.558 9.410 1.00 0.00 O ATOM 76 CB CYS A 16 -15.594 11.234 8.076 1.00 0.00 C ATOM 77 SG CYS A 16 -14.621 9.873 7.386 1.00 0.00 S ATOM 0 H CYS A 16 -16.625 13.034 9.302 1.00 0.00 H new ATOM 0 HA CYS A 16 -14.935 10.750 10.102 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -16.639 10.938 8.167 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -15.563 12.094 7.406 1.00 0.00 H new ATOM 82 N GLU A 17 -13.573 13.514 9.068 1.00 0.00 N ATOM 83 CA GLU A 17 -12.246 14.176 8.918 1.00 0.00 C ATOM 84 C GLU A 17 -11.469 14.100 10.237 1.00 0.00 C ATOM 85 O GLU A 17 -10.254 14.132 10.253 1.00 0.00 O ATOM 86 CB GLU A 17 -12.566 15.630 8.567 1.00 0.00 C ATOM 87 CG GLU A 17 -11.286 16.340 8.123 1.00 0.00 C ATOM 88 CD GLU A 17 -11.647 17.526 7.226 1.00 0.00 C ATOM 89 OE1 GLU A 17 -12.346 18.408 7.697 1.00 0.00 O ATOM 90 OE2 GLU A 17 -11.218 17.533 6.084 1.00 0.00 O ATOM 0 H GLU A 17 -14.379 14.131 8.971 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.629 13.700 8.156 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -13.310 15.668 7.772 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.996 16.138 9.430 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.728 16.685 8.993 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.640 15.646 7.585 1.00 0.00 H new ATOM 97 N LEU A 18 -12.159 13.997 11.338 1.00 0.00 N ATOM 98 CA LEU A 18 -11.459 13.917 12.654 1.00 0.00 C ATOM 99 C LEU A 18 -10.758 12.563 12.795 1.00 0.00 C ATOM 100 O LEU A 18 -9.682 12.466 13.350 1.00 0.00 O ATOM 101 CB LEU A 18 -12.567 14.060 13.698 1.00 0.00 C ATOM 102 CG LEU A 18 -11.949 14.389 15.059 1.00 0.00 C ATOM 103 CD1 LEU A 18 -12.231 15.852 15.409 1.00 0.00 C ATOM 104 CD2 LEU A 18 -12.561 13.484 16.131 1.00 0.00 C ATOM 0 H LEU A 18 -13.177 13.965 11.386 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.693 14.684 12.765 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -13.260 14.847 13.402 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -13.142 13.136 13.762 1.00 0.00 H new ATOM 0 HG LEU A 18 -10.872 14.226 15.016 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.791 16.086 16.378 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.796 16.499 14.647 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -13.308 16.015 15.451 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -12.121 13.719 17.100 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -13.638 13.647 16.173 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -12.361 12.441 15.884 1.00 0.00 H new ATOM 116 N TYR A 19 -11.361 11.518 12.298 1.00 0.00 N ATOM 117 CA TYR A 19 -10.734 10.168 12.403 1.00 0.00 C ATOM 118 C TYR A 19 -9.855 9.887 11.182 1.00 0.00 C ATOM 119 O TYR A 19 -9.814 8.783 10.675 1.00 0.00 O ATOM 120 CB TYR A 19 -11.908 9.198 12.436 1.00 0.00 C ATOM 121 CG TYR A 19 -11.656 8.136 13.476 1.00 0.00 C ATOM 122 CD1 TYR A 19 -10.886 6.997 13.151 1.00 0.00 C ATOM 123 CD2 TYR A 19 -12.190 8.279 14.776 1.00 0.00 C ATOM 124 CE1 TYR A 19 -10.648 6.001 14.125 1.00 0.00 C ATOM 125 CE2 TYR A 19 -11.951 7.285 15.751 1.00 0.00 C ATOM 126 CZ TYR A 19 -11.181 6.146 15.425 1.00 0.00 C ATOM 127 OH TYR A 19 -10.949 5.174 16.377 1.00 0.00 O ATOM 0 H TYR A 19 -12.263 11.540 11.822 1.00 0.00 H new ATOM 0 HA TYR A 19 -10.094 10.081 13.281 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -12.829 9.734 12.664 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -12.041 8.738 11.457 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -10.479 6.887 12.157 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -12.781 9.148 15.024 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -10.060 5.130 13.876 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -12.357 7.396 16.746 1.00 0.00 H new ATOM 0 HH TYR A 19 -11.385 5.428 17.217 1.00 0.00 H new ATOM 137 N VAL A 20 -9.152 10.873 10.709 1.00 0.00 N ATOM 138 CA VAL A 20 -8.279 10.669 9.524 1.00 0.00 C ATOM 139 C VAL A 20 -6.986 9.941 9.961 1.00 0.00 C ATOM 140 O VAL A 20 -7.055 8.872 10.534 1.00 0.00 O ATOM 141 CB VAL A 20 -8.046 12.094 8.994 1.00 0.00 C ATOM 142 CG1 VAL A 20 -7.255 12.923 10.012 1.00 0.00 C ATOM 143 CG2 VAL A 20 -7.302 12.045 7.654 1.00 0.00 C ATOM 0 H VAL A 20 -9.144 11.817 11.094 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.704 10.039 8.743 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.014 12.570 8.840 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.099 13.928 9.620 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.813 12.980 10.947 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -6.289 12.451 10.194 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.143 13.060 7.289 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.339 11.553 7.790 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.895 11.487 6.929 1.00 0.00 H new ATOM 153 N GLN A 21 -5.820 10.476 9.704 1.00 0.00 N ATOM 154 CA GLN A 21 -4.574 9.771 10.120 1.00 0.00 C ATOM 155 C GLN A 21 -4.167 10.198 11.533 1.00 0.00 C ATOM 156 O GLN A 21 -3.783 9.386 12.351 1.00 0.00 O ATOM 157 CB GLN A 21 -3.516 10.206 9.106 1.00 0.00 C ATOM 158 CG GLN A 21 -3.742 9.474 7.783 1.00 0.00 C ATOM 159 CD GLN A 21 -3.656 10.470 6.625 1.00 0.00 C ATOM 160 OE1 GLN A 21 -4.563 10.572 5.825 1.00 0.00 O ATOM 161 NE2 GLN A 21 -2.593 11.218 6.503 1.00 0.00 N ATOM 0 H GLN A 21 -5.679 11.366 9.226 1.00 0.00 H new ATOM 0 HA GLN A 21 -4.702 8.689 10.140 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.568 11.284 8.951 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -2.519 9.987 9.489 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -2.996 8.690 7.658 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -4.718 8.988 7.787 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -1.830 11.133 7.175 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -2.525 11.887 5.736 1.00 0.00 H new ATOM 170 N LYS A 22 -4.247 11.468 11.825 1.00 0.00 N ATOM 171 CA LYS A 22 -3.862 11.949 13.181 1.00 0.00 C ATOM 172 C LYS A 22 -4.891 11.492 14.219 1.00 0.00 C ATOM 173 O LYS A 22 -5.546 12.296 14.854 1.00 0.00 O ATOM 174 CB LYS A 22 -3.849 13.475 13.066 1.00 0.00 C ATOM 175 CG LYS A 22 -2.473 14.007 13.470 1.00 0.00 C ATOM 176 CD LYS A 22 -2.515 14.483 14.922 1.00 0.00 C ATOM 177 CE LYS A 22 -1.883 15.872 15.022 1.00 0.00 C ATOM 178 NZ LYS A 22 -0.543 15.640 15.630 1.00 0.00 N ATOM 0 H LYS A 22 -4.563 12.194 11.181 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.898 11.556 13.503 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -4.081 13.775 12.044 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -4.619 13.905 13.707 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.721 13.226 13.354 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.183 14.829 12.815 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.545 14.514 15.276 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.980 13.781 15.562 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.796 16.338 14.041 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.487 16.537 15.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.046 16.548 15.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.658 15.201 16.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.012 15.008 15.017 1.00 0.00 H new ATOM 192 N HIS A 23 -5.037 10.207 14.399 1.00 0.00 N ATOM 193 CA HIS A 23 -6.025 9.705 15.396 1.00 0.00 C ATOM 194 C HIS A 23 -5.780 8.222 15.689 1.00 0.00 C ATOM 195 O HIS A 23 -5.862 7.781 16.817 1.00 0.00 O ATOM 196 CB HIS A 23 -7.391 9.902 14.740 1.00 0.00 C ATOM 197 CG HIS A 23 -8.269 10.725 15.644 1.00 0.00 C ATOM 198 ND1 HIS A 23 -7.811 11.873 16.274 1.00 0.00 N ATOM 199 CD2 HIS A 23 -9.576 10.580 16.035 1.00 0.00 C ATOM 200 CE1 HIS A 23 -8.829 12.367 17.002 1.00 0.00 C ATOM 201 NE2 HIS A 23 -9.928 11.617 16.892 1.00 0.00 N ATOM 0 H HIS A 23 -4.517 9.485 13.900 1.00 0.00 H new ATOM 0 HA HIS A 23 -5.950 10.232 16.347 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -7.275 10.399 13.777 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -7.856 8.935 14.546 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -6.874 12.270 16.199 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -10.233 9.781 15.724 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -8.765 13.262 17.603 1.00 0.00 H new ATOM 209 N ASN A 24 -5.485 7.447 14.681 1.00 0.00 N ATOM 210 CA ASN A 24 -5.239 5.993 14.907 1.00 0.00 C ATOM 211 C ASN A 24 -4.136 5.488 13.972 1.00 0.00 C ATOM 212 O ASN A 24 -3.258 4.751 14.374 1.00 0.00 O ATOM 213 CB ASN A 24 -6.570 5.311 14.581 1.00 0.00 C ATOM 214 CG ASN A 24 -6.489 3.829 14.956 1.00 0.00 C ATOM 215 OD1 ASN A 24 -6.856 3.447 16.049 1.00 0.00 O ATOM 216 ND2 ASN A 24 -6.019 2.974 14.090 1.00 0.00 N ATOM 0 H ASN A 24 -5.404 7.756 13.712 1.00 0.00 H new ATOM 0 HA ASN A 24 -4.911 5.785 15.925 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -7.381 5.792 15.128 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -6.795 5.417 13.520 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -5.960 1.985 14.331 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -5.711 3.295 13.172 1.00 0.00 H new ATOM 223 N ILE A 25 -4.175 5.880 12.730 1.00 0.00 N ATOM 224 CA ILE A 25 -3.130 5.425 11.768 1.00 0.00 C ATOM 225 C ILE A 25 -1.825 6.206 11.972 1.00 0.00 C ATOM 226 O ILE A 25 -0.849 5.986 11.284 1.00 0.00 O ATOM 227 CB ILE A 25 -3.713 5.713 10.386 1.00 0.00 C ATOM 228 CG1 ILE A 25 -5.043 4.972 10.226 1.00 0.00 C ATOM 229 CG2 ILE A 25 -2.736 5.242 9.307 1.00 0.00 C ATOM 230 CD1 ILE A 25 -5.882 5.660 9.149 1.00 0.00 C ATOM 0 H ILE A 25 -4.886 6.497 12.337 1.00 0.00 H new ATOM 0 HA ILE A 25 -2.886 4.371 11.901 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.879 6.785 10.282 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.862 3.932 9.953 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -5.583 4.963 11.173 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.154 5.449 8.322 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.789 5.771 9.417 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.567 4.170 9.412 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -6.829 5.133 9.034 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -6.074 6.692 9.442 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.342 5.646 8.202 1.00 0.00 H new ATOM 242 N GLN A 26 -1.796 7.122 12.906 1.00 0.00 N ATOM 243 CA GLN A 26 -0.551 7.908 13.137 1.00 0.00 C ATOM 244 C GLN A 26 0.609 6.981 13.508 1.00 0.00 C ATOM 245 O GLN A 26 1.724 7.154 13.054 1.00 0.00 O ATOM 246 CB GLN A 26 -0.887 8.839 14.304 1.00 0.00 C ATOM 247 CG GLN A 26 -0.179 10.182 14.108 1.00 0.00 C ATOM 248 CD GLN A 26 -0.164 10.949 15.431 1.00 0.00 C ATOM 249 OE1 GLN A 26 -0.600 10.443 16.445 1.00 0.00 O ATOM 250 NE2 GLN A 26 0.322 12.160 15.464 1.00 0.00 N ATOM 0 H GLN A 26 -2.579 7.358 13.516 1.00 0.00 H new ATOM 0 HA GLN A 26 -0.240 8.457 12.248 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -1.965 8.990 14.364 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -0.576 8.386 15.245 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.840 10.020 13.758 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -0.690 10.766 13.343 1.00 0.00 H new ATOM 0 HE21 GLN A 26 0.688 12.586 14.613 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.335 12.680 16.341 1.00 0.00 H new ATOM 259 N ALA A 27 0.360 6.001 14.333 1.00 0.00 N ATOM 260 CA ALA A 27 1.453 5.068 14.736 1.00 0.00 C ATOM 261 C ALA A 27 1.818 4.139 13.572 1.00 0.00 C ATOM 262 O ALA A 27 2.911 3.613 13.507 1.00 0.00 O ATOM 263 CB ALA A 27 0.877 4.262 15.901 1.00 0.00 C ATOM 0 H ALA A 27 -0.552 5.805 14.746 1.00 0.00 H new ATOM 0 HA ALA A 27 2.363 5.599 15.015 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.623 3.551 16.255 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.606 4.938 16.712 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.009 3.722 15.567 1.00 0.00 H new ATOM 269 N LEU A 28 0.914 3.937 12.655 1.00 0.00 N ATOM 270 CA LEU A 28 1.211 3.043 11.500 1.00 0.00 C ATOM 271 C LEU A 28 2.129 3.753 10.499 1.00 0.00 C ATOM 272 O LEU A 28 3.098 3.193 10.022 1.00 0.00 O ATOM 273 CB LEU A 28 -0.148 2.753 10.865 1.00 0.00 C ATOM 274 CG LEU A 28 -0.803 1.568 11.573 1.00 0.00 C ATOM 275 CD1 LEU A 28 -1.043 1.918 13.043 1.00 0.00 C ATOM 276 CD2 LEU A 28 -2.140 1.248 10.901 1.00 0.00 C ATOM 0 H LEU A 28 -0.018 4.352 12.655 1.00 0.00 H new ATOM 0 HA LEU A 28 1.723 2.131 11.807 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.789 3.632 10.937 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.026 2.533 9.804 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.146 0.700 11.509 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.510 1.072 13.547 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.091 2.146 13.523 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.699 2.786 13.108 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.608 0.403 11.406 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.796 2.116 10.964 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.970 0.997 9.854 1.00 0.00 H new ATOM 288 N LEU A 29 1.831 4.982 10.176 1.00 0.00 N ATOM 289 CA LEU A 29 2.684 5.725 9.202 1.00 0.00 C ATOM 290 C LEU A 29 3.973 6.199 9.876 1.00 0.00 C ATOM 291 O LEU A 29 4.958 6.478 9.221 1.00 0.00 O ATOM 292 CB LEU A 29 1.839 6.922 8.748 1.00 0.00 C ATOM 293 CG LEU A 29 0.440 6.459 8.314 1.00 0.00 C ATOM 294 CD1 LEU A 29 -0.316 7.633 7.694 1.00 0.00 C ATOM 295 CD2 LEU A 29 0.557 5.333 7.279 1.00 0.00 C ATOM 0 H LEU A 29 1.035 5.504 10.543 1.00 0.00 H new ATOM 0 HA LEU A 29 2.980 5.099 8.360 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.754 7.644 9.560 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.333 7.431 7.920 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.099 6.092 9.187 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.309 7.305 7.386 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.410 8.433 8.428 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.231 8.000 6.825 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.440 5.011 6.977 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.101 5.696 6.407 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.093 4.491 7.717 1.00 0.00 H new ATOM 307 N LYS A 30 3.979 6.290 11.179 1.00 0.00 N ATOM 308 CA LYS A 30 5.212 6.743 11.885 1.00 0.00 C ATOM 309 C LYS A 30 6.403 5.878 11.463 1.00 0.00 C ATOM 310 O LYS A 30 7.346 6.352 10.859 1.00 0.00 O ATOM 311 CB LYS A 30 4.912 6.553 13.374 1.00 0.00 C ATOM 312 CG LYS A 30 5.894 7.383 14.202 1.00 0.00 C ATOM 313 CD LYS A 30 5.642 7.136 15.691 1.00 0.00 C ATOM 314 CE LYS A 30 6.752 7.793 16.513 1.00 0.00 C ATOM 315 NZ LYS A 30 6.315 7.654 17.930 1.00 0.00 N ATOM 0 H LYS A 30 3.187 6.071 11.783 1.00 0.00 H new ATOM 0 HA LYS A 30 5.467 7.777 11.652 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.888 6.858 13.591 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.994 5.499 13.641 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.919 7.115 13.946 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.775 8.442 13.973 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.673 7.543 15.979 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.611 6.065 15.893 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.711 7.302 16.346 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.878 8.841 16.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.026 8.082 18.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.403 8.137 18.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.210 6.646 18.164 1.00 0.00 H new ATOM 329 N ASP A 31 6.363 4.612 11.770 1.00 0.00 N ATOM 330 CA ASP A 31 7.489 3.716 11.381 1.00 0.00 C ATOM 331 C ASP A 31 7.546 3.579 9.858 1.00 0.00 C ATOM 332 O ASP A 31 8.602 3.415 9.281 1.00 0.00 O ATOM 333 CB ASP A 31 7.167 2.369 12.030 1.00 0.00 C ATOM 334 CG ASP A 31 7.649 2.375 13.482 1.00 0.00 C ATOM 335 OD1 ASP A 31 8.851 2.332 13.686 1.00 0.00 O ATOM 336 OD2 ASP A 31 6.810 2.423 14.366 1.00 0.00 O ATOM 0 H ASP A 31 5.600 4.158 12.273 1.00 0.00 H new ATOM 0 HA ASP A 31 8.456 4.101 11.704 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.094 2.182 11.993 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.650 1.563 11.478 1.00 0.00 H new ATOM 341 N SER A 32 6.419 3.644 9.205 1.00 0.00 N ATOM 342 CA SER A 32 6.413 3.517 7.718 1.00 0.00 C ATOM 343 C SER A 32 7.367 4.542 7.100 1.00 0.00 C ATOM 344 O SER A 32 8.200 4.213 6.279 1.00 0.00 O ATOM 345 CB SER A 32 4.972 3.805 7.301 1.00 0.00 C ATOM 346 OG SER A 32 4.693 3.131 6.081 1.00 0.00 O ATOM 0 H SER A 32 5.504 3.779 9.634 1.00 0.00 H new ATOM 0 HA SER A 32 6.743 2.533 7.385 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.283 3.474 8.078 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.824 4.878 7.179 1.00 0.00 H new ATOM 0 HG SER A 32 3.768 3.312 5.811 1.00 0.00 H new ATOM 352 N ILE A 33 7.252 5.782 7.491 1.00 0.00 N ATOM 353 CA ILE A 33 8.156 6.826 6.925 1.00 0.00 C ATOM 354 C ILE A 33 9.609 6.505 7.277 1.00 0.00 C ATOM 355 O ILE A 33 10.508 6.688 6.479 1.00 0.00 O ATOM 356 CB ILE A 33 7.716 8.132 7.589 1.00 0.00 C ATOM 357 CG1 ILE A 33 6.286 8.469 7.160 1.00 0.00 C ATOM 358 CG2 ILE A 33 8.655 9.262 7.162 1.00 0.00 C ATOM 359 CD1 ILE A 33 6.233 8.622 5.639 1.00 0.00 C ATOM 0 H ILE A 33 6.574 6.117 8.175 1.00 0.00 H new ATOM 0 HA ILE A 33 8.097 6.884 5.838 1.00 0.00 H new ATOM 0 HB ILE A 33 7.752 8.017 8.672 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.604 7.682 7.481 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.958 9.391 7.641 1.00 0.00 H new ATOM 0 HG21 ILE A 33 8.342 10.193 7.635 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.674 9.024 7.468 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.619 9.375 6.078 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.215 8.862 5.333 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.903 9.424 5.330 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.543 7.689 5.168 1.00 0.00 H new ATOM 371 N VAL A 34 9.849 6.028 8.469 1.00 0.00 N ATOM 372 CA VAL A 34 11.245 5.694 8.871 1.00 0.00 C ATOM 373 C VAL A 34 11.804 4.586 7.974 1.00 0.00 C ATOM 374 O VAL A 34 13.001 4.435 7.828 1.00 0.00 O ATOM 375 CB VAL A 34 11.133 5.212 10.317 1.00 0.00 C ATOM 376 CG1 VAL A 34 12.522 4.841 10.841 1.00 0.00 C ATOM 377 CG2 VAL A 34 10.547 6.332 11.179 1.00 0.00 C ATOM 0 H VAL A 34 9.139 5.855 9.181 1.00 0.00 H new ATOM 0 HA VAL A 34 11.919 6.546 8.776 1.00 0.00 H new ATOM 0 HB VAL A 34 10.484 4.338 10.361 1.00 0.00 H new ATOM 0 HG11 VAL A 34 12.442 4.497 11.872 1.00 0.00 H new ATOM 0 HG12 VAL A 34 12.943 4.046 10.225 1.00 0.00 H new ATOM 0 HG13 VAL A 34 13.172 5.715 10.799 1.00 0.00 H new ATOM 0 HG21 VAL A 34 10.466 5.992 12.211 1.00 0.00 H new ATOM 0 HG22 VAL A 34 11.199 7.204 11.135 1.00 0.00 H new ATOM 0 HG23 VAL A 34 9.558 6.599 10.806 1.00 0.00 H new ATOM 387 N GLN A 35 10.945 3.811 7.369 1.00 0.00 N ATOM 388 CA GLN A 35 11.429 2.715 6.477 1.00 0.00 C ATOM 389 C GLN A 35 11.230 3.103 5.011 1.00 0.00 C ATOM 390 O GLN A 35 12.086 2.884 4.180 1.00 0.00 O ATOM 391 CB GLN A 35 10.569 1.502 6.836 1.00 0.00 C ATOM 392 CG GLN A 35 11.157 0.249 6.183 1.00 0.00 C ATOM 393 CD GLN A 35 10.983 -0.945 7.124 1.00 0.00 C ATOM 394 OE1 GLN A 35 10.299 -0.852 8.123 1.00 0.00 O ATOM 395 NE2 GLN A 35 11.579 -2.072 6.843 1.00 0.00 N ATOM 0 H GLN A 35 9.931 3.888 7.453 1.00 0.00 H new ATOM 0 HA GLN A 35 12.492 2.512 6.609 1.00 0.00 H new ATOM 0 HB2 GLN A 35 10.531 1.377 7.918 1.00 0.00 H new ATOM 0 HB3 GLN A 35 9.545 1.656 6.496 1.00 0.00 H new ATOM 0 HG2 GLN A 35 10.659 0.053 5.233 1.00 0.00 H new ATOM 0 HG3 GLN A 35 12.214 0.402 5.963 1.00 0.00 H new ATOM 0 HE21 GLN A 35 12.153 -2.150 6.004 1.00 0.00 H new ATOM 0 HE22 GLN A 35 11.470 -2.875 7.463 1.00 0.00 H new ATOM 404 N LEU A 36 10.103 3.679 4.688 1.00 0.00 N ATOM 405 CA LEU A 36 9.857 4.080 3.273 1.00 0.00 C ATOM 406 C LEU A 36 10.822 5.196 2.864 1.00 0.00 C ATOM 407 O LEU A 36 11.037 5.444 1.693 1.00 0.00 O ATOM 408 CB LEU A 36 8.412 4.584 3.246 1.00 0.00 C ATOM 409 CG LEU A 36 7.472 3.428 2.902 1.00 0.00 C ATOM 410 CD1 LEU A 36 7.822 2.879 1.517 1.00 0.00 C ATOM 411 CD2 LEU A 36 7.626 2.317 3.943 1.00 0.00 C ATOM 0 H LEU A 36 9.346 3.888 5.339 1.00 0.00 H new ATOM 0 HA LEU A 36 10.013 3.255 2.578 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.146 5.007 4.215 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.308 5.382 2.511 1.00 0.00 H new ATOM 0 HG LEU A 36 6.443 3.786 2.902 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.152 2.055 1.272 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.712 3.669 0.774 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.852 2.521 1.517 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.956 1.493 3.698 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.656 1.959 3.944 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.376 2.706 4.930 1.00 0.00 H new ATOM 423 N CYS A 37 11.413 5.868 3.817 1.00 0.00 N ATOM 424 CA CYS A 37 12.369 6.963 3.475 1.00 0.00 C ATOM 425 C CYS A 37 13.423 6.446 2.492 1.00 0.00 C ATOM 426 O CYS A 37 13.884 7.163 1.625 1.00 0.00 O ATOM 427 CB CYS A 37 13.019 7.355 4.801 1.00 0.00 C ATOM 428 SG CYS A 37 14.115 8.773 4.540 1.00 0.00 S ATOM 0 H CYS A 37 11.276 5.707 4.815 1.00 0.00 H new ATOM 0 HA CYS A 37 11.876 7.812 3.001 1.00 0.00 H new ATOM 0 HB2 CYS A 37 12.252 7.605 5.534 1.00 0.00 H new ATOM 0 HB3 CYS A 37 13.584 6.514 5.204 1.00 0.00 H new ATOM 433 N THR A 38 13.800 5.202 2.618 1.00 0.00 N ATOM 434 CA THR A 38 14.817 4.632 1.687 1.00 0.00 C ATOM 435 C THR A 38 14.277 4.632 0.252 1.00 0.00 C ATOM 436 O THR A 38 15.017 4.472 -0.697 1.00 0.00 O ATOM 437 CB THR A 38 15.040 3.201 2.179 1.00 0.00 C ATOM 438 OG1 THR A 38 15.240 3.212 3.586 1.00 0.00 O ATOM 439 CG2 THR A 38 16.269 2.610 1.491 1.00 0.00 C ATOM 0 H THR A 38 13.448 4.556 3.325 1.00 0.00 H new ATOM 0 HA THR A 38 15.742 5.209 1.677 1.00 0.00 H new ATOM 0 HB THR A 38 14.167 2.593 1.941 1.00 0.00 H new ATOM 0 HG1 THR A 38 15.381 2.296 3.903 1.00 0.00 H new ATOM 0 HG21 THR A 38 16.427 1.590 1.842 1.00 0.00 H new ATOM 0 HG22 THR A 38 16.114 2.602 0.412 1.00 0.00 H new ATOM 0 HG23 THR A 38 17.144 3.215 1.727 1.00 0.00 H new ATOM 447 N ALA A 39 12.992 4.812 0.088 1.00 0.00 N ATOM 448 CA ALA A 39 12.402 4.825 -1.283 1.00 0.00 C ATOM 449 C ALA A 39 12.735 3.526 -2.020 1.00 0.00 C ATOM 450 O ALA A 39 13.139 2.547 -1.425 1.00 0.00 O ATOM 451 CB ALA A 39 13.043 6.024 -1.987 1.00 0.00 C ATOM 0 H ALA A 39 12.325 4.951 0.847 1.00 0.00 H new ATOM 0 HA ALA A 39 11.315 4.903 -1.259 1.00 0.00 H new ATOM 0 HB1 ALA A 39 12.657 6.098 -3.004 1.00 0.00 H new ATOM 0 HB2 ALA A 39 12.805 6.937 -1.441 1.00 0.00 H new ATOM 0 HB3 ALA A 39 14.124 5.892 -2.019 1.00 0.00 H new ATOM 457 N ARG A 40 12.560 3.512 -3.314 1.00 0.00 N ATOM 458 CA ARG A 40 12.855 2.279 -4.097 1.00 0.00 C ATOM 459 C ARG A 40 12.118 1.068 -3.503 1.00 0.00 C ATOM 460 O ARG A 40 12.716 0.031 -3.293 1.00 0.00 O ATOM 461 CB ARG A 40 14.368 2.090 -3.978 1.00 0.00 C ATOM 462 CG ARG A 40 15.084 3.282 -4.612 1.00 0.00 C ATOM 463 CD ARG A 40 16.360 2.801 -5.309 1.00 0.00 C ATOM 464 NE ARG A 40 17.474 3.438 -4.555 1.00 0.00 N ATOM 465 CZ ARG A 40 18.561 2.761 -4.299 1.00 0.00 C ATOM 466 NH1 ARG A 40 18.533 1.787 -3.432 1.00 0.00 N ATOM 467 NH2 ARG A 40 19.674 3.060 -4.910 1.00 0.00 N ATOM 0 H ARG A 40 12.225 4.303 -3.863 1.00 0.00 H new ATOM 0 HA ARG A 40 12.529 2.367 -5.133 1.00 0.00 H new ATOM 0 HB2 ARG A 40 14.652 1.998 -2.930 1.00 0.00 H new ATOM 0 HB3 ARG A 40 14.669 1.167 -4.472 1.00 0.00 H new ATOM 0 HG2 ARG A 40 14.428 3.774 -5.330 1.00 0.00 H new ATOM 0 HG3 ARG A 40 15.330 4.020 -3.848 1.00 0.00 H new ATOM 0 HD2 ARG A 40 16.437 1.714 -5.284 1.00 0.00 H new ATOM 0 HD3 ARG A 40 16.373 3.098 -6.358 1.00 0.00 H new ATOM 0 HE ARG A 40 17.388 4.404 -4.238 1.00 0.00 H new ATOM 0 HH11 ARG A 40 17.662 1.554 -2.954 1.00 0.00 H new ATOM 0 HH12 ARG A 40 19.382 1.258 -3.232 1.00 0.00 H new ATOM 0 HH21 ARG A 40 19.695 3.822 -5.587 1.00 0.00 H new ATOM 0 HH22 ARG A 40 20.523 2.532 -4.710 1.00 0.00 H new ATOM 481 N PRO A 41 10.838 1.230 -3.255 1.00 0.00 N ATOM 482 CA PRO A 41 10.039 0.117 -2.688 1.00 0.00 C ATOM 483 C PRO A 41 9.739 -0.928 -3.765 1.00 0.00 C ATOM 484 O PRO A 41 8.885 -0.736 -4.607 1.00 0.00 O ATOM 485 CB PRO A 41 8.755 0.796 -2.223 1.00 0.00 C ATOM 486 CG PRO A 41 8.631 2.022 -3.070 1.00 0.00 C ATOM 487 CD PRO A 41 10.025 2.435 -3.470 1.00 0.00 C ATOM 0 HA PRO A 41 10.552 -0.411 -1.884 1.00 0.00 H new ATOM 0 HB2 PRO A 41 7.894 0.140 -2.351 1.00 0.00 H new ATOM 0 HB3 PRO A 41 8.806 1.052 -1.165 1.00 0.00 H new ATOM 0 HG2 PRO A 41 8.023 1.820 -3.951 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.137 2.822 -2.518 1.00 0.00 H new ATOM 0 HD2 PRO A 41 10.061 2.758 -4.510 1.00 0.00 H new ATOM 0 HD3 PRO A 41 10.382 3.268 -2.865 1.00 0.00 H new ATOM 495 N GLU A 42 10.432 -2.033 -3.747 1.00 0.00 N ATOM 496 CA GLU A 42 10.181 -3.088 -4.774 1.00 0.00 C ATOM 497 C GLU A 42 8.690 -3.435 -4.821 1.00 0.00 C ATOM 498 O GLU A 42 8.013 -3.177 -5.796 1.00 0.00 O ATOM 499 CB GLU A 42 10.995 -4.295 -4.310 1.00 0.00 C ATOM 500 CG GLU A 42 10.784 -5.458 -5.282 1.00 0.00 C ATOM 501 CD GLU A 42 11.362 -5.090 -6.651 1.00 0.00 C ATOM 502 OE1 GLU A 42 12.412 -4.470 -6.680 1.00 0.00 O ATOM 503 OE2 GLU A 42 10.744 -5.433 -7.643 1.00 0.00 O ATOM 0 H GLU A 42 11.160 -2.253 -3.068 1.00 0.00 H new ATOM 0 HA GLU A 42 10.465 -2.765 -5.775 1.00 0.00 H new ATOM 0 HB2 GLU A 42 12.053 -4.036 -4.260 1.00 0.00 H new ATOM 0 HB3 GLU A 42 10.691 -4.587 -3.305 1.00 0.00 H new ATOM 0 HG2 GLU A 42 11.268 -6.357 -4.901 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.721 -5.682 -5.372 1.00 0.00 H new ATOM 510 N ARG A 43 8.174 -4.016 -3.774 1.00 0.00 N ATOM 511 CA ARG A 43 6.728 -4.375 -3.755 1.00 0.00 C ATOM 512 C ARG A 43 6.045 -3.749 -2.533 1.00 0.00 C ATOM 513 O ARG A 43 5.875 -4.405 -1.524 1.00 0.00 O ATOM 514 CB ARG A 43 6.699 -5.901 -3.661 1.00 0.00 C ATOM 515 CG ARG A 43 6.444 -6.495 -5.048 1.00 0.00 C ATOM 516 CD ARG A 43 4.937 -6.556 -5.308 1.00 0.00 C ATOM 517 NE ARG A 43 4.808 -6.749 -6.779 1.00 0.00 N ATOM 518 CZ ARG A 43 3.635 -6.679 -7.346 1.00 0.00 C ATOM 519 NH1 ARG A 43 2.691 -7.509 -6.998 1.00 0.00 N ATOM 520 NH2 ARG A 43 3.406 -5.775 -8.260 1.00 0.00 N ATOM 0 H ARG A 43 8.692 -4.258 -2.929 1.00 0.00 H new ATOM 0 HA ARG A 43 6.200 -4.011 -4.637 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.645 -6.269 -3.265 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.919 -6.218 -2.969 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.931 -5.887 -5.811 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.876 -7.494 -5.113 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.475 -7.377 -4.760 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.443 -5.639 -4.985 1.00 0.00 H new ATOM 0 HE ARG A 43 5.637 -6.936 -7.343 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.870 -8.213 -6.282 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.774 -7.454 -7.442 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.144 -5.124 -8.530 1.00 0.00 H new ATOM 0 HH22 ARG A 43 2.489 -5.719 -8.704 1.00 0.00 H new ATOM 534 N PRO A 44 5.676 -2.498 -2.661 1.00 0.00 N ATOM 535 CA PRO A 44 5.011 -1.788 -1.540 1.00 0.00 C ATOM 536 C PRO A 44 3.585 -2.313 -1.347 1.00 0.00 C ATOM 537 O PRO A 44 3.092 -2.399 -0.240 1.00 0.00 O ATOM 538 CB PRO A 44 4.999 -0.331 -1.994 1.00 0.00 C ATOM 539 CG PRO A 44 5.069 -0.391 -3.485 1.00 0.00 C ATOM 540 CD PRO A 44 5.839 -1.636 -3.840 1.00 0.00 C ATOM 0 HA PRO A 44 5.517 -1.926 -0.584 1.00 0.00 H new ATOM 0 HB2 PRO A 44 4.095 0.179 -1.661 1.00 0.00 H new ATOM 0 HB3 PRO A 44 5.845 0.218 -1.581 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.069 -0.420 -3.917 1.00 0.00 H new ATOM 0 HG3 PRO A 44 5.563 0.495 -3.884 1.00 0.00 H new ATOM 0 HD2 PRO A 44 5.443 -2.109 -4.739 1.00 0.00 H new ATOM 0 HD3 PRO A 44 6.889 -1.416 -4.032 1.00 0.00 H new ATOM 548 N MET A 45 2.921 -2.668 -2.413 1.00 0.00 N ATOM 549 CA MET A 45 1.530 -3.189 -2.284 1.00 0.00 C ATOM 550 C MET A 45 1.494 -4.339 -1.275 1.00 0.00 C ATOM 551 O MET A 45 0.733 -4.325 -0.328 1.00 0.00 O ATOM 552 CB MET A 45 1.163 -3.686 -3.681 1.00 0.00 C ATOM 553 CG MET A 45 0.864 -2.489 -4.586 1.00 0.00 C ATOM 554 SD MET A 45 -0.220 -3.009 -5.940 1.00 0.00 S ATOM 555 CE MET A 45 0.213 -1.687 -7.097 1.00 0.00 C ATOM 0 H MET A 45 3.281 -2.620 -3.366 1.00 0.00 H new ATOM 0 HA MET A 45 0.833 -2.431 -1.928 1.00 0.00 H new ATOM 0 HB2 MET A 45 1.982 -4.274 -4.096 1.00 0.00 H new ATOM 0 HB3 MET A 45 0.294 -4.342 -3.629 1.00 0.00 H new ATOM 0 HG2 MET A 45 0.389 -1.695 -4.011 1.00 0.00 H new ATOM 0 HG3 MET A 45 1.792 -2.081 -4.986 1.00 0.00 H new ATOM 0 HE1 MET A 45 -0.351 -1.813 -8.021 1.00 0.00 H new ATOM 0 HE2 MET A 45 -0.029 -0.721 -6.653 1.00 0.00 H new ATOM 0 HE3 MET A 45 1.280 -1.729 -7.315 1.00 0.00 H new ATOM 565 N ALA A 46 2.316 -5.333 -1.467 1.00 0.00 N ATOM 566 CA ALA A 46 2.334 -6.478 -0.514 1.00 0.00 C ATOM 567 C ALA A 46 3.147 -6.112 0.730 1.00 0.00 C ATOM 568 O ALA A 46 2.986 -6.699 1.781 1.00 0.00 O ATOM 569 CB ALA A 46 3.003 -7.621 -1.279 1.00 0.00 C ATOM 0 H ALA A 46 2.976 -5.402 -2.242 1.00 0.00 H new ATOM 0 HA ALA A 46 1.335 -6.750 -0.172 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.054 -8.504 -0.642 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.421 -7.851 -2.172 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.011 -7.324 -1.569 1.00 0.00 H new ATOM 575 N PHE A 47 4.016 -5.145 0.620 1.00 0.00 N ATOM 576 CA PHE A 47 4.834 -4.743 1.801 1.00 0.00 C ATOM 577 C PHE A 47 3.922 -4.411 2.982 1.00 0.00 C ATOM 578 O PHE A 47 4.216 -4.735 4.114 1.00 0.00 O ATOM 579 CB PHE A 47 5.604 -3.501 1.350 1.00 0.00 C ATOM 580 CG PHE A 47 6.439 -2.981 2.496 1.00 0.00 C ATOM 581 CD1 PHE A 47 7.632 -3.648 2.858 1.00 0.00 C ATOM 582 CD2 PHE A 47 6.031 -1.829 3.201 1.00 0.00 C ATOM 583 CE1 PHE A 47 8.415 -3.161 3.930 1.00 0.00 C ATOM 584 CE2 PHE A 47 6.815 -1.342 4.272 1.00 0.00 C ATOM 585 CZ PHE A 47 8.006 -2.008 4.636 1.00 0.00 C ATOM 0 H PHE A 47 4.195 -4.617 -0.234 1.00 0.00 H new ATOM 0 HA PHE A 47 5.504 -5.537 2.129 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.244 -3.745 0.502 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.909 -2.731 1.014 1.00 0.00 H new ATOM 0 HD1 PHE A 47 7.945 -4.528 2.316 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.120 -1.319 2.923 1.00 0.00 H new ATOM 0 HE1 PHE A 47 9.326 -3.670 4.209 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.503 -0.460 4.812 1.00 0.00 H new ATOM 0 HZ PHE A 47 8.604 -1.636 5.454 1.00 0.00 H new ATOM 595 N LEU A 48 2.812 -3.770 2.728 1.00 0.00 N ATOM 596 CA LEU A 48 1.878 -3.423 3.841 1.00 0.00 C ATOM 597 C LEU A 48 1.569 -4.673 4.671 1.00 0.00 C ATOM 598 O LEU A 48 1.533 -4.633 5.885 1.00 0.00 O ATOM 599 CB LEU A 48 0.614 -2.906 3.155 1.00 0.00 C ATOM 600 CG LEU A 48 0.534 -1.385 3.308 1.00 0.00 C ATOM 601 CD1 LEU A 48 -0.710 -0.861 2.589 1.00 0.00 C ATOM 602 CD2 LEU A 48 0.448 -1.028 4.795 1.00 0.00 C ATOM 0 H LEU A 48 2.511 -3.472 1.800 1.00 0.00 H new ATOM 0 HA LEU A 48 2.299 -2.683 4.521 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.625 -3.176 2.099 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.268 -3.373 3.594 1.00 0.00 H new ATOM 0 HG LEU A 48 1.423 -0.930 2.872 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.765 0.222 2.699 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.653 -1.116 1.531 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.600 -1.316 3.024 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.391 0.055 4.907 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.442 -1.485 5.228 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.334 -1.400 5.310 1.00 0.00 H new ATOM 614 N ARG A 49 1.351 -5.783 4.021 1.00 0.00 N ATOM 615 CA ARG A 49 1.051 -7.037 4.768 1.00 0.00 C ATOM 616 C ARG A 49 2.247 -7.417 5.646 1.00 0.00 C ATOM 617 O ARG A 49 2.141 -7.501 6.852 1.00 0.00 O ATOM 618 CB ARG A 49 0.815 -8.096 3.690 1.00 0.00 C ATOM 619 CG ARG A 49 0.610 -9.462 4.350 1.00 0.00 C ATOM 620 CD ARG A 49 1.562 -10.481 3.722 1.00 0.00 C ATOM 621 NE ARG A 49 0.695 -11.341 2.869 1.00 0.00 N ATOM 622 CZ ARG A 49 1.211 -12.353 2.225 1.00 0.00 C ATOM 623 NH1 ARG A 49 1.727 -13.353 2.886 1.00 0.00 N ATOM 624 NH2 ARG A 49 1.213 -12.363 0.921 1.00 0.00 N ATOM 0 H ARG A 49 1.368 -5.876 3.005 1.00 0.00 H new ATOM 0 HA ARG A 49 0.189 -6.934 5.427 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -0.059 -7.834 3.093 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.666 -8.133 3.010 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.793 -9.391 5.422 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.423 -9.787 4.224 1.00 0.00 H new ATOM 0 HD2 ARG A 49 2.334 -9.988 3.131 1.00 0.00 H new ATOM 0 HD3 ARG A 49 2.072 -11.068 4.486 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.302 -11.139 2.788 1.00 0.00 H new ATOM 0 HH11 ARG A 49 1.727 -13.344 3.906 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.130 -14.143 2.383 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.812 -11.580 0.404 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.616 -13.153 0.418 1.00 0.00 H new ATOM 638 N GLU A 50 3.384 -7.643 5.048 1.00 0.00 N ATOM 639 CA GLU A 50 4.589 -8.014 5.846 1.00 0.00 C ATOM 640 C GLU A 50 5.107 -6.809 6.644 1.00 0.00 C ATOM 641 O GLU A 50 6.021 -6.926 7.434 1.00 0.00 O ATOM 642 CB GLU A 50 5.626 -8.456 4.814 1.00 0.00 C ATOM 643 CG GLU A 50 6.361 -9.695 5.325 1.00 0.00 C ATOM 644 CD GLU A 50 6.873 -10.512 4.138 1.00 0.00 C ATOM 645 OE1 GLU A 50 7.091 -9.925 3.090 1.00 0.00 O ATOM 646 OE2 GLU A 50 7.038 -11.711 4.295 1.00 0.00 O ATOM 0 H GLU A 50 3.532 -7.587 4.040 1.00 0.00 H new ATOM 0 HA GLU A 50 4.370 -8.797 6.572 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.138 -8.676 3.864 1.00 0.00 H new ATOM 0 HB3 GLU A 50 6.336 -7.650 4.629 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.194 -9.399 5.963 1.00 0.00 H new ATOM 0 HG3 GLU A 50 5.692 -10.301 5.936 1.00 0.00 H new ATOM 653 N TYR A 51 4.537 -5.649 6.444 1.00 0.00 N ATOM 654 CA TYR A 51 5.008 -4.449 7.190 1.00 0.00 C ATOM 655 C TYR A 51 4.553 -4.517 8.654 1.00 0.00 C ATOM 656 O TYR A 51 5.354 -4.668 9.556 1.00 0.00 O ATOM 657 CB TYR A 51 4.358 -3.260 6.470 1.00 0.00 C ATOM 658 CG TYR A 51 4.561 -1.993 7.271 1.00 0.00 C ATOM 659 CD1 TYR A 51 5.851 -1.430 7.390 1.00 0.00 C ATOM 660 CD2 TYR A 51 3.460 -1.379 7.906 1.00 0.00 C ATOM 661 CE1 TYR A 51 6.039 -0.251 8.146 1.00 0.00 C ATOM 662 CE2 TYR A 51 3.647 -0.199 8.659 1.00 0.00 C ATOM 663 CZ TYR A 51 4.936 0.364 8.780 1.00 0.00 C ATOM 664 OH TYR A 51 5.116 1.515 9.518 1.00 0.00 O ATOM 0 H TYR A 51 3.767 -5.483 5.797 1.00 0.00 H new ATOM 0 HA TYR A 51 6.095 -4.370 7.207 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.792 -3.145 5.477 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.293 -3.446 6.333 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.693 -1.900 6.904 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.475 -1.812 7.816 1.00 0.00 H new ATOM 0 HE1 TYR A 51 7.025 0.180 8.239 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.804 0.273 9.142 1.00 0.00 H new ATOM 0 HH TYR A 51 4.244 1.918 9.713 1.00 0.00 H new ATOM 674 N PHE A 52 3.276 -4.397 8.898 1.00 0.00 N ATOM 675 CA PHE A 52 2.780 -4.443 10.304 1.00 0.00 C ATOM 676 C PHE A 52 2.671 -5.891 10.794 1.00 0.00 C ATOM 677 O PHE A 52 2.782 -6.165 11.973 1.00 0.00 O ATOM 678 CB PHE A 52 1.402 -3.785 10.264 1.00 0.00 C ATOM 679 CG PHE A 52 1.228 -2.907 11.479 1.00 0.00 C ATOM 680 CD1 PHE A 52 1.650 -1.559 11.444 1.00 0.00 C ATOM 681 CD2 PHE A 52 0.643 -3.433 12.653 1.00 0.00 C ATOM 682 CE1 PHE A 52 1.487 -0.737 12.581 1.00 0.00 C ATOM 683 CE2 PHE A 52 0.480 -2.611 13.790 1.00 0.00 C ATOM 684 CZ PHE A 52 0.902 -1.264 13.755 1.00 0.00 C ATOM 0 H PHE A 52 2.556 -4.269 8.187 1.00 0.00 H new ATOM 0 HA PHE A 52 3.457 -3.933 10.989 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.297 -3.192 9.356 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.624 -4.548 10.239 1.00 0.00 H new ATOM 0 HD1 PHE A 52 2.098 -1.157 10.547 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.321 -4.463 12.681 1.00 0.00 H new ATOM 0 HE1 PHE A 52 1.809 0.293 12.553 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.032 -3.013 14.687 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.778 -0.636 14.625 1.00 0.00 H new ATOM 694 N GLU A 53 2.451 -6.819 9.903 1.00 0.00 N ATOM 695 CA GLU A 53 2.332 -8.244 10.327 1.00 0.00 C ATOM 696 C GLU A 53 3.595 -8.685 11.073 1.00 0.00 C ATOM 697 O GLU A 53 3.527 -9.325 12.105 1.00 0.00 O ATOM 698 CB GLU A 53 2.176 -9.035 9.027 1.00 0.00 C ATOM 699 CG GLU A 53 2.112 -10.531 9.341 1.00 0.00 C ATOM 700 CD GLU A 53 2.143 -11.328 8.036 1.00 0.00 C ATOM 701 OE1 GLU A 53 1.799 -10.762 7.011 1.00 0.00 O ATOM 702 OE2 GLU A 53 2.512 -12.490 8.084 1.00 0.00 O ATOM 0 H GLU A 53 2.349 -6.653 8.902 1.00 0.00 H new ATOM 0 HA GLU A 53 1.492 -8.401 11.004 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.271 -8.723 8.506 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.014 -8.828 8.361 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.952 -10.817 9.974 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.202 -10.758 9.897 1.00 0.00 H new ATOM 709 N LYS A 54 4.747 -8.348 10.561 1.00 0.00 N ATOM 710 CA LYS A 54 6.013 -8.750 11.244 1.00 0.00 C ATOM 711 C LYS A 54 6.361 -7.750 12.349 1.00 0.00 C ATOM 712 O LYS A 54 7.021 -8.084 13.313 1.00 0.00 O ATOM 713 CB LYS A 54 7.077 -8.729 10.146 1.00 0.00 C ATOM 714 CG LYS A 54 7.442 -10.162 9.761 1.00 0.00 C ATOM 715 CD LYS A 54 8.431 -10.140 8.596 1.00 0.00 C ATOM 716 CE LYS A 54 8.520 -11.534 7.970 1.00 0.00 C ATOM 717 NZ LYS A 54 9.967 -11.737 7.689 1.00 0.00 N ATOM 0 H LYS A 54 4.868 -7.813 9.701 1.00 0.00 H new ATOM 0 HA LYS A 54 5.934 -9.728 11.718 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.704 -8.191 9.274 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.963 -8.198 10.494 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.881 -10.679 10.615 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.545 -10.714 9.480 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.111 -9.414 7.848 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.414 -9.824 8.946 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.139 -12.297 8.649 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.928 -11.595 7.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.109 -12.673 7.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.300 -11.000 7.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.505 -11.680 8.578 1.00 0.00 H new ATOM 731 N LEU A 55 5.926 -6.528 12.215 1.00 0.00 N ATOM 732 CA LEU A 55 6.236 -5.508 13.260 1.00 0.00 C ATOM 733 C LEU A 55 5.648 -5.935 14.607 1.00 0.00 C ATOM 734 O LEU A 55 6.120 -5.539 15.654 1.00 0.00 O ATOM 735 CB LEU A 55 5.573 -4.222 12.771 1.00 0.00 C ATOM 736 CG LEU A 55 6.585 -3.074 12.818 1.00 0.00 C ATOM 737 CD1 LEU A 55 5.924 -1.788 12.319 1.00 0.00 C ATOM 738 CD2 LEU A 55 7.062 -2.874 14.261 1.00 0.00 C ATOM 0 H LEU A 55 5.370 -6.190 11.429 1.00 0.00 H new ATOM 0 HA LEU A 55 7.309 -5.382 13.406 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.205 -4.355 11.754 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.710 -3.986 13.394 1.00 0.00 H new ATOM 0 HG LEU A 55 7.436 -3.315 12.182 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.645 -0.971 12.353 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.583 -1.929 11.293 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.072 -1.546 12.955 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.783 -2.057 14.296 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.209 -2.633 14.896 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.534 -3.789 14.618 1.00 0.00 H new ATOM 750 N GLU A 56 4.619 -6.737 14.589 1.00 0.00 N ATOM 751 CA GLU A 56 4.004 -7.186 15.871 1.00 0.00 C ATOM 752 C GLU A 56 4.862 -8.280 16.514 1.00 0.00 C ATOM 753 O GLU A 56 5.065 -8.299 17.711 1.00 0.00 O ATOM 754 CB GLU A 56 2.631 -7.737 15.481 1.00 0.00 C ATOM 755 CG GLU A 56 1.632 -7.460 16.605 1.00 0.00 C ATOM 756 CD GLU A 56 1.764 -8.536 17.684 1.00 0.00 C ATOM 757 OE1 GLU A 56 1.149 -9.581 17.529 1.00 0.00 O ATOM 758 OE2 GLU A 56 2.474 -8.300 18.647 1.00 0.00 O ATOM 0 H GLU A 56 4.178 -7.100 13.744 1.00 0.00 H new ATOM 0 HA GLU A 56 3.925 -6.377 16.598 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.291 -7.273 14.555 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.697 -8.809 15.295 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.816 -6.475 17.035 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.617 -7.450 16.209 1.00 0.00 H new ATOM 765 N LYS A 57 5.364 -9.186 15.724 1.00 0.00 N ATOM 766 CA LYS A 57 6.212 -10.278 16.284 1.00 0.00 C ATOM 767 C LYS A 57 7.686 -9.857 16.292 1.00 0.00 C ATOM 768 O LYS A 57 8.562 -10.630 15.961 1.00 0.00 O ATOM 769 CB LYS A 57 5.999 -11.463 15.342 1.00 0.00 C ATOM 770 CG LYS A 57 5.859 -12.750 16.158 1.00 0.00 C ATOM 771 CD LYS A 57 5.731 -13.945 15.212 1.00 0.00 C ATOM 772 CE LYS A 57 5.720 -15.241 16.025 1.00 0.00 C ATOM 773 NZ LYS A 57 7.128 -15.723 15.999 1.00 0.00 N ATOM 0 H LYS A 57 5.225 -9.219 14.714 1.00 0.00 H new ATOM 0 HA LYS A 57 5.947 -10.520 17.313 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.105 -11.304 14.738 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.839 -11.548 14.652 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.726 -12.878 16.806 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.983 -12.689 16.804 1.00 0.00 H new ATOM 0 HD2 LYS A 57 4.815 -13.863 14.627 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.561 -13.954 14.505 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.382 -15.064 17.046 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.043 -15.975 15.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.201 -16.610 16.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.420 -15.890 15.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.748 -15.006 16.427 1.00 0.00 H new ATOM 787 N GLU A 58 7.962 -8.637 16.663 1.00 0.00 N ATOM 788 CA GLU A 58 9.378 -8.169 16.688 1.00 0.00 C ATOM 789 C GLU A 58 10.055 -8.598 17.992 1.00 0.00 C ATOM 790 O GLU A 58 10.601 -7.789 18.715 1.00 0.00 O ATOM 791 CB GLU A 58 9.291 -6.645 16.605 1.00 0.00 C ATOM 792 CG GLU A 58 10.381 -6.123 15.667 1.00 0.00 C ATOM 793 CD GLU A 58 10.643 -4.645 15.960 1.00 0.00 C ATOM 794 OE1 GLU A 58 9.977 -3.815 15.363 1.00 0.00 O ATOM 795 OE2 GLU A 58 11.504 -4.367 16.778 1.00 0.00 O ATOM 0 H GLU A 58 7.270 -7.945 16.950 1.00 0.00 H new ATOM 0 HA GLU A 58 9.967 -8.590 15.873 1.00 0.00 H new ATOM 0 HB2 GLU A 58 8.308 -6.345 16.241 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.410 -6.209 17.597 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.297 -6.699 15.801 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.073 -6.250 14.629 1.00 0.00 H new ATOM 802 N GLU A 59 10.027 -9.867 18.296 1.00 0.00 N ATOM 803 CA GLU A 59 10.672 -10.346 19.554 1.00 0.00 C ATOM 804 C GLU A 59 10.136 -9.564 20.754 1.00 0.00 C ATOM 805 O GLU A 59 9.142 -8.871 20.664 1.00 0.00 O ATOM 806 CB GLU A 59 12.165 -10.080 19.362 1.00 0.00 C ATOM 807 CG GLU A 59 12.861 -11.372 18.923 1.00 0.00 C ATOM 808 CD GLU A 59 14.329 -11.079 18.610 1.00 0.00 C ATOM 809 OE1 GLU A 59 15.102 -10.959 19.546 1.00 0.00 O ATOM 810 OE2 GLU A 59 14.655 -10.979 17.438 1.00 0.00 O ATOM 0 H GLU A 59 9.587 -10.592 17.730 1.00 0.00 H new ATOM 0 HA GLU A 59 10.469 -11.399 19.746 1.00 0.00 H new ATOM 0 HB2 GLU A 59 12.313 -9.302 18.613 1.00 0.00 H new ATOM 0 HB3 GLU A 59 12.603 -9.716 20.291 1.00 0.00 H new ATOM 0 HG2 GLU A 59 12.789 -12.122 19.710 1.00 0.00 H new ATOM 0 HG3 GLU A 59 12.366 -11.784 18.044 1.00 0.00 H new ATOM 817 N ALA A 60 10.788 -9.667 21.882 1.00 0.00 N ATOM 818 CA ALA A 60 10.313 -8.926 23.088 1.00 0.00 C ATOM 819 C ALA A 60 11.459 -8.756 24.089 1.00 0.00 C ATOM 820 O ALA A 60 11.655 -7.696 24.647 1.00 0.00 O ATOM 821 CB ALA A 60 9.208 -9.801 23.679 1.00 0.00 C ATOM 0 H ALA A 60 11.627 -10.231 22.021 1.00 0.00 H new ATOM 0 HA ALA A 60 9.954 -7.926 22.845 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.805 -9.324 24.573 1.00 0.00 H new ATOM 0 HB2 ALA A 60 8.412 -9.927 22.945 1.00 0.00 H new ATOM 0 HB3 ALA A 60 9.618 -10.776 23.942 1.00 0.00 H new ATOM 827 N LYS A 61 12.215 -9.793 24.317 1.00 0.00 N ATOM 828 CA LYS A 61 13.347 -9.693 25.283 1.00 0.00 C ATOM 829 C LYS A 61 14.546 -9.007 24.623 1.00 0.00 C ATOM 830 O LYS A 61 15.059 -8.065 25.204 1.00 0.00 O ATOM 831 CB LYS A 61 13.688 -11.139 25.644 1.00 0.00 C ATOM 832 CG LYS A 61 12.897 -11.555 26.885 1.00 0.00 C ATOM 833 CD LYS A 61 12.873 -13.082 26.988 1.00 0.00 C ATOM 834 CE LYS A 61 13.701 -13.525 28.196 1.00 0.00 C ATOM 835 NZ LYS A 61 13.337 -14.954 28.406 1.00 0.00 N ATOM 836 OXT LYS A 61 14.932 -9.436 23.548 1.00 0.00 O ATOM 0 H LYS A 61 12.099 -10.706 23.877 1.00 0.00 H new ATOM 0 HA LYS A 61 13.089 -9.103 26.163 1.00 0.00 H new ATOM 0 HB2 LYS A 61 13.450 -11.799 24.810 1.00 0.00 H new ATOM 0 HB3 LYS A 61 14.757 -11.236 25.832 1.00 0.00 H new ATOM 0 HG2 LYS A 61 13.351 -11.127 27.779 1.00 0.00 H new ATOM 0 HG3 LYS A 61 11.880 -11.168 26.827 1.00 0.00 H new ATOM 0 HD2 LYS A 61 11.846 -13.434 27.088 1.00 0.00 H new ATOM 0 HD3 LYS A 61 13.274 -13.525 26.076 1.00 0.00 H new ATOM 0 HE2 LYS A 61 14.768 -13.413 28.006 1.00 0.00 H new ATOM 0 HE3 LYS A 61 13.469 -12.925 29.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 13.865 -15.331 29.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 12.316 -15.029 28.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 13.575 -15.502 27.555 1.00 0.00 H new TER 850 LYS A 61 ATOM 851 N SER B 12 13.302 16.783 10.754 1.00 0.00 N ATOM 852 CA SER B 12 13.263 15.631 9.808 1.00 0.00 C ATOM 853 C SER B 12 14.182 15.897 8.612 1.00 0.00 C ATOM 854 O SER B 12 14.466 17.029 8.275 1.00 0.00 O ATOM 855 CB SER B 12 11.805 15.540 9.356 1.00 0.00 C ATOM 856 OG SER B 12 11.701 14.596 8.298 1.00 0.00 O ATOM 0 HA SER B 12 13.605 14.705 10.270 1.00 0.00 H new ATOM 0 HB2 SER B 12 11.171 15.240 10.191 1.00 0.00 H new ATOM 0 HB3 SER B 12 11.453 16.517 9.024 1.00 0.00 H new ATOM 0 HG SER B 12 10.768 14.533 8.006 1.00 0.00 H new ATOM 864 N LEU B 13 14.649 14.861 7.970 1.00 0.00 N ATOM 865 CA LEU B 13 15.550 15.057 6.797 1.00 0.00 C ATOM 866 C LEU B 13 14.817 15.813 5.686 1.00 0.00 C ATOM 867 O LEU B 13 13.604 15.840 5.634 1.00 0.00 O ATOM 868 CB LEU B 13 15.914 13.645 6.334 1.00 0.00 C ATOM 869 CG LEU B 13 17.309 13.275 6.842 1.00 0.00 C ATOM 870 CD1 LEU B 13 18.343 14.237 6.252 1.00 0.00 C ATOM 871 CD2 LEU B 13 17.340 13.369 8.370 1.00 0.00 C ATOM 0 H LEU B 13 14.447 13.889 8.206 1.00 0.00 H new ATOM 0 HA LEU B 13 16.433 15.643 7.050 1.00 0.00 H new ATOM 0 HB2 LEU B 13 15.180 12.930 6.706 1.00 0.00 H new ATOM 0 HB3 LEU B 13 15.888 13.591 5.246 1.00 0.00 H new ATOM 0 HG LEU B 13 17.545 12.256 6.535 1.00 0.00 H new ATOM 0 HD11 LEU B 13 19.336 13.972 6.615 1.00 0.00 H new ATOM 0 HD12 LEU B 13 18.324 14.169 5.164 1.00 0.00 H new ATOM 0 HD13 LEU B 13 18.106 15.257 6.556 1.00 0.00 H new ATOM 0 HD21 LEU B 13 18.334 13.105 8.731 1.00 0.00 H new ATOM 0 HD22 LEU B 13 17.101 14.387 8.677 1.00 0.00 H new ATOM 0 HD23 LEU B 13 16.607 12.682 8.792 1.00 0.00 H new ATOM 883 N ARG B 14 15.548 16.423 4.793 1.00 0.00 N ATOM 884 CA ARG B 14 14.896 17.176 3.683 1.00 0.00 C ATOM 885 C ARG B 14 14.525 16.219 2.546 1.00 0.00 C ATOM 886 O ARG B 14 13.366 16.046 2.221 1.00 0.00 O ATOM 887 CB ARG B 14 15.949 18.182 3.215 1.00 0.00 C ATOM 888 CG ARG B 14 15.358 19.593 3.246 1.00 0.00 C ATOM 889 CD ARG B 14 16.393 20.589 2.718 1.00 0.00 C ATOM 890 NE ARG B 14 17.184 20.990 3.913 1.00 0.00 N ATOM 891 CZ ARG B 14 17.068 22.196 4.397 1.00 0.00 C ATOM 892 NH1 ARG B 14 15.888 22.745 4.506 1.00 0.00 N ATOM 893 NH2 ARG B 14 18.131 22.854 4.773 1.00 0.00 N ATOM 0 H ARG B 14 16.568 16.433 4.784 1.00 0.00 H new ATOM 0 HA ARG B 14 13.976 17.668 4.000 1.00 0.00 H new ATOM 0 HB2 ARG B 14 16.828 18.130 3.858 1.00 0.00 H new ATOM 0 HB3 ARG B 14 16.278 17.936 2.205 1.00 0.00 H new ATOM 0 HG2 ARG B 14 14.454 19.634 2.638 1.00 0.00 H new ATOM 0 HG3 ARG B 14 15.070 19.856 4.264 1.00 0.00 H new ATOM 0 HD2 ARG B 14 17.028 20.133 1.959 1.00 0.00 H new ATOM 0 HD3 ARG B 14 15.912 21.451 2.256 1.00 0.00 H new ATOM 0 HE ARG B 14 17.817 20.322 4.354 1.00 0.00 H new ATOM 0 HH11 ARG B 14 15.057 22.231 4.213 1.00 0.00 H new ATOM 0 HH12 ARG B 14 15.797 23.688 4.884 1.00 0.00 H new ATOM 0 HH21 ARG B 14 19.053 22.425 4.688 1.00 0.00 H new ATOM 0 HH22 ARG B 14 18.040 23.797 5.151 1.00 0.00 H new ATOM 907 N GLU B 15 15.500 15.600 1.940 1.00 0.00 N ATOM 908 CA GLU B 15 15.204 14.655 0.822 1.00 0.00 C ATOM 909 C GLU B 15 14.236 13.568 1.294 1.00 0.00 C ATOM 910 O GLU B 15 13.467 13.031 0.522 1.00 0.00 O ATOM 911 CB GLU B 15 16.557 14.047 0.451 1.00 0.00 C ATOM 912 CG GLU B 15 17.259 14.948 -0.568 1.00 0.00 C ATOM 913 CD GLU B 15 16.991 14.427 -1.980 1.00 0.00 C ATOM 914 OE1 GLU B 15 17.329 13.285 -2.243 1.00 0.00 O ATOM 915 OE2 GLU B 15 16.451 15.179 -2.774 1.00 0.00 O ATOM 0 H GLU B 15 16.488 15.706 2.169 1.00 0.00 H new ATOM 0 HA GLU B 15 14.734 15.151 -0.027 1.00 0.00 H new ATOM 0 HB2 GLU B 15 17.175 13.937 1.342 1.00 0.00 H new ATOM 0 HB3 GLU B 15 16.418 13.049 0.035 1.00 0.00 H new ATOM 0 HG2 GLU B 15 16.899 15.972 -0.472 1.00 0.00 H new ATOM 0 HG3 GLU B 15 18.331 14.968 -0.374 1.00 0.00 H new ATOM 922 N CYS B 16 14.266 13.238 2.557 1.00 0.00 N ATOM 923 CA CYS B 16 13.343 12.186 3.074 1.00 0.00 C ATOM 924 C CYS B 16 11.930 12.752 3.225 1.00 0.00 C ATOM 925 O CYS B 16 10.951 12.044 3.103 1.00 0.00 O ATOM 926 CB CYS B 16 13.913 11.794 4.438 1.00 0.00 C ATOM 927 SG CYS B 16 12.999 10.370 5.085 1.00 0.00 S ATOM 0 H CYS B 16 14.888 13.650 3.252 1.00 0.00 H new ATOM 0 HA CYS B 16 13.272 11.331 2.402 1.00 0.00 H new ATOM 0 HB2 CYS B 16 14.971 11.549 4.346 1.00 0.00 H new ATOM 0 HB3 CYS B 16 13.839 12.633 5.130 1.00 0.00 H new ATOM 932 N GLU B 17 11.816 14.026 3.489 1.00 0.00 N ATOM 933 CA GLU B 17 10.466 14.637 3.648 1.00 0.00 C ATOM 934 C GLU B 17 9.694 14.563 2.327 1.00 0.00 C ATOM 935 O GLU B 17 8.478 14.556 2.307 1.00 0.00 O ATOM 936 CB GLU B 17 10.734 16.094 4.031 1.00 0.00 C ATOM 937 CG GLU B 17 9.429 16.751 4.485 1.00 0.00 C ATOM 938 CD GLU B 17 9.746 17.932 5.406 1.00 0.00 C ATOM 939 OE1 GLU B 17 10.414 18.847 4.953 1.00 0.00 O ATOM 940 OE2 GLU B 17 9.315 17.900 6.546 1.00 0.00 O ATOM 0 H GLU B 17 12.600 14.669 3.601 1.00 0.00 H new ATOM 0 HA GLU B 17 9.865 14.122 4.397 1.00 0.00 H new ATOM 0 HB2 GLU B 17 11.474 16.141 4.830 1.00 0.00 H new ATOM 0 HB3 GLU B 17 11.149 16.634 3.180 1.00 0.00 H new ATOM 0 HG2 GLU B 17 8.861 17.093 3.620 1.00 0.00 H new ATOM 0 HG3 GLU B 17 8.807 16.025 5.008 1.00 0.00 H new ATOM 947 N LEU B 18 10.389 14.505 1.224 1.00 0.00 N ATOM 948 CA LEU B 18 9.696 14.428 -0.095 1.00 0.00 C ATOM 949 C LEU B 18 9.043 13.053 -0.268 1.00 0.00 C ATOM 950 O LEU B 18 7.973 12.929 -0.828 1.00 0.00 O ATOM 951 CB LEU B 18 10.801 14.634 -1.131 1.00 0.00 C ATOM 952 CG LEU B 18 10.176 14.970 -2.487 1.00 0.00 C ATOM 953 CD1 LEU B 18 10.407 16.449 -2.807 1.00 0.00 C ATOM 954 CD2 LEU B 18 10.823 14.108 -3.575 1.00 0.00 C ATOM 0 H LEU B 18 11.408 14.508 1.178 1.00 0.00 H new ATOM 0 HA LEU B 18 8.903 15.169 -0.192 1.00 0.00 H new ATOM 0 HB2 LEU B 18 11.464 15.439 -0.815 1.00 0.00 H new ATOM 0 HB3 LEU B 18 11.410 13.733 -1.213 1.00 0.00 H new ATOM 0 HG LEU B 18 9.105 14.770 -2.451 1.00 0.00 H new ATOM 0 HD11 LEU B 18 9.961 16.686 -3.773 1.00 0.00 H new ATOM 0 HD12 LEU B 18 9.947 17.065 -2.034 1.00 0.00 H new ATOM 0 HD13 LEU B 18 11.478 16.651 -2.842 1.00 0.00 H new ATOM 0 HD21 LEU B 18 10.378 14.347 -4.541 1.00 0.00 H new ATOM 0 HD22 LEU B 18 11.894 14.308 -3.609 1.00 0.00 H new ATOM 0 HD23 LEU B 18 10.658 13.054 -3.350 1.00 0.00 H new ATOM 966 N TYR B 19 9.682 12.021 0.210 1.00 0.00 N ATOM 967 CA TYR B 19 9.105 10.650 0.075 1.00 0.00 C ATOM 968 C TYR B 19 8.233 10.315 1.288 1.00 0.00 C ATOM 969 O TYR B 19 8.233 9.202 1.774 1.00 0.00 O ATOM 970 CB TYR B 19 10.312 9.725 0.026 1.00 0.00 C ATOM 971 CG TYR B 19 10.102 8.674 -1.038 1.00 0.00 C ATOM 972 CD1 TYR B 19 9.370 7.503 -0.739 1.00 0.00 C ATOM 973 CD2 TYR B 19 10.632 8.865 -2.334 1.00 0.00 C ATOM 974 CE1 TYR B 19 9.171 6.521 -1.734 1.00 0.00 C ATOM 975 CE2 TYR B 19 10.431 7.882 -3.330 1.00 0.00 C ATOM 976 CZ TYR B 19 9.701 6.711 -3.030 1.00 0.00 C ATOM 977 OH TYR B 19 9.505 5.751 -4.003 1.00 0.00 O ATOM 0 H TYR B 19 10.581 12.066 0.690 1.00 0.00 H new ATOM 0 HA TYR B 19 8.472 10.555 -0.807 1.00 0.00 H new ATOM 0 HB2 TYR B 19 11.214 10.298 -0.188 1.00 0.00 H new ATOM 0 HB3 TYR B 19 10.459 9.250 0.996 1.00 0.00 H new ATOM 0 HD1 TYR B 19 8.963 7.359 0.251 1.00 0.00 H new ATOM 0 HD2 TYR B 19 11.190 9.761 -2.563 1.00 0.00 H new ATOM 0 HE1 TYR B 19 8.614 5.625 -1.504 1.00 0.00 H new ATOM 0 HE2 TYR B 19 10.836 8.027 -4.321 1.00 0.00 H new ATOM 0 HH TYR B 19 9.933 6.038 -4.837 1.00 0.00 H new ATOM 987 N VAL B 20 7.495 11.265 1.777 1.00 0.00 N ATOM 988 CA VAL B 20 6.626 11.011 2.955 1.00 0.00 C ATOM 989 C VAL B 20 5.362 10.244 2.503 1.00 0.00 C ATOM 990 O VAL B 20 5.469 9.190 1.908 1.00 0.00 O ATOM 991 CB VAL B 20 6.343 12.415 3.513 1.00 0.00 C ATOM 992 CG1 VAL B 20 5.526 13.235 2.507 1.00 0.00 C ATOM 993 CG2 VAL B 20 5.598 12.312 4.849 1.00 0.00 C ATOM 0 H VAL B 20 7.455 12.215 1.409 1.00 0.00 H new ATOM 0 HA VAL B 20 7.071 10.383 3.726 1.00 0.00 H new ATOM 0 HB VAL B 20 7.293 12.923 3.681 1.00 0.00 H new ATOM 0 HG11 VAL B 20 5.334 14.227 2.917 1.00 0.00 H new ATOM 0 HG12 VAL B 20 6.084 13.329 1.576 1.00 0.00 H new ATOM 0 HG13 VAL B 20 4.578 12.733 2.313 1.00 0.00 H new ATOM 0 HG21 VAL B 20 5.403 13.313 5.235 1.00 0.00 H new ATOM 0 HG22 VAL B 20 4.653 11.790 4.699 1.00 0.00 H new ATOM 0 HG23 VAL B 20 6.208 11.760 5.564 1.00 0.00 H new ATOM 1003 N GLN B 21 4.178 10.736 2.763 1.00 0.00 N ATOM 1004 CA GLN B 21 2.957 9.995 2.328 1.00 0.00 C ATOM 1005 C GLN B 21 2.539 10.437 0.923 1.00 0.00 C ATOM 1006 O GLN B 21 2.186 9.630 0.086 1.00 0.00 O ATOM 1007 CB GLN B 21 1.882 10.372 3.348 1.00 0.00 C ATOM 1008 CG GLN B 21 2.129 9.619 4.657 1.00 0.00 C ATOM 1009 CD GLN B 21 2.002 10.587 5.834 1.00 0.00 C ATOM 1010 OE1 GLN B 21 2.904 10.703 6.640 1.00 0.00 O ATOM 1011 NE2 GLN B 21 0.913 11.296 5.969 1.00 0.00 N ATOM 0 H GLN B 21 4.005 11.613 3.254 1.00 0.00 H new ATOM 0 HA GLN B 21 3.122 8.918 2.285 1.00 0.00 H new ATOM 0 HB2 GLN B 21 1.897 11.447 3.527 1.00 0.00 H new ATOM 0 HB3 GLN B 21 0.894 10.128 2.957 1.00 0.00 H new ATOM 0 HG2 GLN B 21 1.411 8.806 4.762 1.00 0.00 H new ATOM 0 HG3 GLN B 21 3.122 9.169 4.648 1.00 0.00 H new ATOM 0 HE21 GLN B 21 0.155 11.200 5.293 1.00 0.00 H new ATOM 0 HE22 GLN B 21 0.821 11.946 6.750 1.00 0.00 H new ATOM 1020 N LYS B 22 2.574 11.715 0.660 1.00 0.00 N ATOM 1021 CA LYS B 22 2.177 12.210 -0.690 1.00 0.00 C ATOM 1022 C LYS B 22 3.225 11.810 -1.733 1.00 0.00 C ATOM 1023 O LYS B 22 3.852 12.647 -2.351 1.00 0.00 O ATOM 1024 CB LYS B 22 2.111 13.732 -0.545 1.00 0.00 C ATOM 1025 CG LYS B 22 0.717 14.223 -0.941 1.00 0.00 C ATOM 1026 CD LYS B 22 0.747 14.732 -2.385 1.00 0.00 C ATOM 1027 CE LYS B 22 0.063 16.099 -2.459 1.00 0.00 C ATOM 1028 NZ LYS B 22 -1.265 15.833 -3.076 1.00 0.00 N ATOM 0 H LYS B 22 2.860 12.438 1.321 1.00 0.00 H new ATOM 0 HA LYS B 22 1.228 11.790 -1.023 1.00 0.00 H new ATOM 0 HB2 LYS B 22 2.331 14.020 0.483 1.00 0.00 H new ATOM 0 HB3 LYS B 22 2.866 14.201 -1.176 1.00 0.00 H new ATOM 0 HG2 LYS B 22 -0.007 13.414 -0.844 1.00 0.00 H new ATOM 0 HG3 LYS B 22 0.396 15.020 -0.270 1.00 0.00 H new ATOM 0 HD2 LYS B 22 1.777 14.810 -2.733 1.00 0.00 H new ATOM 0 HD3 LYS B 22 0.241 14.024 -3.042 1.00 0.00 H new ATOM 0 HE2 LYS B 22 -0.044 16.541 -1.468 1.00 0.00 H new ATOM 0 HE3 LYS B 22 0.644 16.799 -3.059 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 -1.794 16.725 -3.160 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 -1.132 15.419 -4.021 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 -1.798 15.169 -2.479 1.00 0.00 H new ATOM 1042 N HIS B 23 3.416 10.536 -1.936 1.00 0.00 N ATOM 1043 CA HIS B 23 4.422 10.087 -2.942 1.00 0.00 C ATOM 1044 C HIS B 23 4.230 8.602 -3.265 1.00 0.00 C ATOM 1045 O HIS B 23 4.330 8.188 -4.404 1.00 0.00 O ATOM 1046 CB HIS B 23 5.778 10.321 -2.275 1.00 0.00 C ATOM 1047 CG HIS B 23 6.626 11.191 -3.160 1.00 0.00 C ATOM 1048 ND1 HIS B 23 6.131 12.335 -3.765 1.00 0.00 N ATOM 1049 CD2 HIS B 23 7.940 11.097 -3.551 1.00 0.00 C ATOM 1050 CE1 HIS B 23 7.131 12.879 -4.483 1.00 0.00 C ATOM 1051 NE2 HIS B 23 8.256 12.164 -4.388 1.00 0.00 N ATOM 0 H HIS B 23 2.921 9.787 -1.451 1.00 0.00 H new ATOM 0 HA HIS B 23 4.331 10.627 -3.884 1.00 0.00 H new ATOM 0 HB2 HIS B 23 5.641 10.796 -1.303 1.00 0.00 H new ATOM 0 HB3 HIS B 23 6.277 9.369 -2.097 1.00 0.00 H new ATOM 0 HD1 HIS B 23 5.182 12.699 -3.681 1.00 0.00 H new ATOM 0 HD2 HIS B 23 8.623 10.315 -3.254 1.00 0.00 H new ATOM 0 HE1 HIS B 23 7.036 13.784 -5.065 1.00 0.00 H new ATOM 1059 N ASN B 24 3.959 7.795 -2.276 1.00 0.00 N ATOM 1060 CA ASN B 24 3.763 6.338 -2.534 1.00 0.00 C ATOM 1061 C ASN B 24 2.675 5.778 -1.615 1.00 0.00 C ATOM 1062 O ASN B 24 1.824 5.020 -2.036 1.00 0.00 O ATOM 1063 CB ASN B 24 5.115 5.696 -2.221 1.00 0.00 C ATOM 1064 CG ASN B 24 5.085 4.221 -2.626 1.00 0.00 C ATOM 1065 OD1 ASN B 24 5.470 3.874 -3.725 1.00 0.00 O ATOM 1066 ND2 ASN B 24 4.643 3.332 -1.780 1.00 0.00 N ATOM 0 H ASN B 24 3.865 8.080 -1.301 1.00 0.00 H new ATOM 0 HA ASN B 24 3.444 6.139 -3.557 1.00 0.00 H new ATOM 0 HB2 ASN B 24 5.909 6.215 -2.757 1.00 0.00 H new ATOM 0 HB3 ASN B 24 5.336 5.788 -1.158 1.00 0.00 H new ATOM 0 HD21 ASN B 24 4.621 2.346 -2.041 1.00 0.00 H new ATOM 0 HD22 ASN B 24 4.320 3.623 -0.857 1.00 0.00 H new ATOM 1073 N ILE B 25 2.699 6.145 -0.366 1.00 0.00 N ATOM 1074 CA ILE B 25 1.669 5.635 0.584 1.00 0.00 C ATOM 1075 C ILE B 25 0.338 6.376 0.391 1.00 0.00 C ATOM 1076 O ILE B 25 -0.634 6.105 1.069 1.00 0.00 O ATOM 1077 CB ILE B 25 2.239 5.919 1.972 1.00 0.00 C ATOM 1078 CG1 ILE B 25 3.593 5.220 2.123 1.00 0.00 C ATOM 1079 CG2 ILE B 25 1.275 5.394 3.038 1.00 0.00 C ATOM 1080 CD1 ILE B 25 4.406 5.913 3.217 1.00 0.00 C ATOM 0 H ILE B 25 3.388 6.777 0.041 1.00 0.00 H new ATOM 0 HA ILE B 25 1.462 4.576 0.431 1.00 0.00 H new ATOM 0 HB ILE B 25 2.369 6.994 2.096 1.00 0.00 H new ATOM 0 HG12 ILE B 25 3.446 4.170 2.375 1.00 0.00 H new ATOM 0 HG13 ILE B 25 4.136 5.248 1.178 1.00 0.00 H new ATOM 0 HG21 ILE B 25 1.682 5.597 4.028 1.00 0.00 H new ATOM 0 HG22 ILE B 25 0.311 5.891 2.933 1.00 0.00 H new ATOM 0 HG23 ILE B 25 1.144 4.319 2.913 1.00 0.00 H new ATOM 0 HD11 ILE B 25 5.370 5.415 3.324 1.00 0.00 H new ATOM 0 HD12 ILE B 25 4.565 6.957 2.946 1.00 0.00 H new ATOM 0 HD13 ILE B 25 3.864 5.861 4.161 1.00 0.00 H new ATOM 1092 N GLN B 26 0.281 7.309 -0.524 1.00 0.00 N ATOM 1093 CA GLN B 26 -0.990 8.059 -0.744 1.00 0.00 C ATOM 1094 C GLN B 26 -2.116 7.097 -1.139 1.00 0.00 C ATOM 1095 O GLN B 26 -3.237 7.220 -0.685 1.00 0.00 O ATOM 1096 CB GLN B 26 -0.683 9.024 -1.890 1.00 0.00 C ATOM 1097 CG GLN B 26 -1.441 10.336 -1.669 1.00 0.00 C ATOM 1098 CD GLN B 26 -1.479 11.131 -2.975 1.00 0.00 C ATOM 1099 OE1 GLN B 26 -1.024 10.662 -3.999 1.00 0.00 O ATOM 1100 NE2 GLN B 26 -2.006 12.325 -2.982 1.00 0.00 N ATOM 0 H GLN B 26 1.057 7.583 -1.126 1.00 0.00 H new ATOM 0 HA GLN B 26 -1.322 8.580 0.154 1.00 0.00 H new ATOM 0 HB2 GLN B 26 0.389 9.215 -1.942 1.00 0.00 H new ATOM 0 HB3 GLN B 26 -0.974 8.579 -2.842 1.00 0.00 H new ATOM 0 HG2 GLN B 26 -2.455 10.129 -1.328 1.00 0.00 H new ATOM 0 HG3 GLN B 26 -0.955 10.922 -0.889 1.00 0.00 H new ATOM 0 HE21 GLN B 26 -2.388 12.719 -2.122 1.00 0.00 H new ATOM 0 HE22 GLN B 26 -2.036 12.864 -3.847 1.00 0.00 H new ATOM 1109 N ALA B 27 -1.832 6.143 -1.985 1.00 0.00 N ATOM 1110 CA ALA B 27 -2.889 5.182 -2.408 1.00 0.00 C ATOM 1111 C ALA B 27 -3.228 4.220 -1.266 1.00 0.00 C ATOM 1112 O ALA B 27 -4.303 3.657 -1.214 1.00 0.00 O ATOM 1113 CB ALA B 27 -2.282 4.420 -3.586 1.00 0.00 C ATOM 0 H ALA B 27 -0.914 5.989 -2.401 1.00 0.00 H new ATOM 0 HA ALA B 27 -3.816 5.687 -2.679 1.00 0.00 H new ATOM 0 HB1 ALA B 27 -3.001 3.690 -3.956 1.00 0.00 H new ATOM 0 HB2 ALA B 27 -2.033 5.121 -4.383 1.00 0.00 H new ATOM 0 HB3 ALA B 27 -1.378 3.906 -3.260 1.00 0.00 H new ATOM 1119 N LEU B 28 -2.319 4.028 -0.350 1.00 0.00 N ATOM 1120 CA LEU B 28 -2.589 3.101 0.787 1.00 0.00 C ATOM 1121 C LEU B 28 -3.533 3.760 1.799 1.00 0.00 C ATOM 1122 O LEU B 28 -4.481 3.157 2.264 1.00 0.00 O ATOM 1123 CB LEU B 28 -1.222 2.846 1.421 1.00 0.00 C ATOM 1124 CG LEU B 28 -0.524 1.696 0.691 1.00 0.00 C ATOM 1125 CD1 LEU B 28 -0.293 2.085 -0.770 1.00 0.00 C ATOM 1126 CD2 LEU B 28 0.821 1.409 1.361 1.00 0.00 C ATOM 0 H LEU B 28 -1.401 4.472 -0.339 1.00 0.00 H new ATOM 0 HA LEU B 28 -3.069 2.178 0.461 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -0.612 3.747 1.368 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -1.339 2.602 2.477 1.00 0.00 H new ATOM 0 HG LEU B 28 -1.150 0.805 0.735 1.00 0.00 H new ATOM 0 HD11 LEU B 28 0.204 1.266 -1.290 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -1.251 2.290 -1.248 1.00 0.00 H new ATOM 0 HD13 LEU B 28 0.333 2.976 -0.815 1.00 0.00 H new ATOM 0 HD21 LEU B 28 1.319 0.590 0.842 1.00 0.00 H new ATOM 0 HD22 LEU B 28 1.447 2.300 1.317 1.00 0.00 H new ATOM 0 HD23 LEU B 28 0.657 1.132 2.402 1.00 0.00 H new ATOM 1138 N LEU B 29 -3.279 4.991 2.147 1.00 0.00 N ATOM 1139 CA LEU B 29 -4.158 5.682 3.135 1.00 0.00 C ATOM 1140 C LEU B 29 -5.461 6.129 2.465 1.00 0.00 C ATOM 1141 O LEU B 29 -6.455 6.368 3.122 1.00 0.00 O ATOM 1142 CB LEU B 29 -3.358 6.900 3.617 1.00 0.00 C ATOM 1143 CG LEU B 29 -1.945 6.475 4.047 1.00 0.00 C ATOM 1144 CD1 LEU B 29 -1.234 7.662 4.697 1.00 0.00 C ATOM 1145 CD2 LEU B 29 -2.025 5.324 5.054 1.00 0.00 C ATOM 0 H LEU B 29 -2.502 5.549 1.791 1.00 0.00 H new ATOM 0 HA LEU B 29 -4.431 5.027 3.962 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -3.295 7.641 2.820 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -3.873 7.374 4.453 1.00 0.00 H new ATOM 0 HG LEU B 29 -1.391 6.145 3.168 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -0.232 7.363 5.003 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -1.166 8.481 3.982 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -1.797 7.989 5.571 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -1.018 5.031 5.352 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -2.584 5.647 5.932 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -2.530 4.474 4.595 1.00 0.00 H new ATOM 1157 N LYS B 30 -5.469 6.239 1.165 1.00 0.00 N ATOM 1158 CA LYS B 30 -6.715 6.666 0.465 1.00 0.00 C ATOM 1159 C LYS B 30 -7.876 5.753 0.865 1.00 0.00 C ATOM 1160 O LYS B 30 -8.838 6.181 1.473 1.00 0.00 O ATOM 1161 CB LYS B 30 -6.405 6.518 -1.024 1.00 0.00 C ATOM 1162 CG LYS B 30 -7.413 7.330 -1.840 1.00 0.00 C ATOM 1163 CD LYS B 30 -7.147 7.123 -3.332 1.00 0.00 C ATOM 1164 CE LYS B 30 -8.277 7.757 -4.146 1.00 0.00 C ATOM 1165 NZ LYS B 30 -7.829 7.661 -5.563 1.00 0.00 N ATOM 0 H LYS B 30 -4.670 6.053 0.558 1.00 0.00 H new ATOM 0 HA LYS B 30 -7.006 7.685 0.719 1.00 0.00 H new ATOM 0 HB2 LYS B 30 -5.392 6.863 -1.231 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -6.450 5.468 -1.313 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -8.429 7.021 -1.595 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -7.332 8.388 -1.589 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -6.192 7.570 -3.607 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -7.077 6.058 -3.555 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -9.218 7.229 -3.993 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -8.441 8.794 -3.853 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -8.552 8.076 -6.185 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -6.934 8.178 -5.680 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -7.687 6.662 -5.815 1.00 0.00 H new ATOM 1179 N ASP B 31 -7.790 4.493 0.533 1.00 0.00 N ATOM 1180 CA ASP B 31 -8.885 3.552 0.899 1.00 0.00 C ATOM 1181 C ASP B 31 -8.942 3.382 2.419 1.00 0.00 C ATOM 1182 O ASP B 31 -9.994 3.172 2.990 1.00 0.00 O ATOM 1183 CB ASP B 31 -8.515 2.232 0.224 1.00 0.00 C ATOM 1184 CG ASP B 31 -8.991 2.251 -1.228 1.00 0.00 C ATOM 1185 OD1 ASP B 31 -10.192 2.170 -1.438 1.00 0.00 O ATOM 1186 OD2 ASP B 31 -8.151 2.345 -2.107 1.00 0.00 O ATOM 0 H ASP B 31 -7.010 4.076 0.025 1.00 0.00 H new ATOM 0 HA ASP B 31 -9.864 3.909 0.581 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -7.436 2.082 0.262 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -8.972 1.398 0.757 1.00 0.00 H new ATOM 1191 N SER B 32 -7.820 3.471 3.079 1.00 0.00 N ATOM 1192 CA SER B 32 -7.814 3.313 4.561 1.00 0.00 C ATOM 1193 C SER B 32 -8.804 4.292 5.197 1.00 0.00 C ATOM 1194 O SER B 32 -9.627 3.917 6.009 1.00 0.00 O ATOM 1195 CB SER B 32 -6.385 3.642 4.989 1.00 0.00 C ATOM 1196 OG SER B 32 -6.086 2.954 6.198 1.00 0.00 O ATOM 0 H SER B 32 -6.908 3.646 2.657 1.00 0.00 H new ATOM 0 HA SER B 32 -8.111 2.311 4.872 1.00 0.00 H new ATOM 0 HB2 SER B 32 -5.683 3.350 4.208 1.00 0.00 H new ATOM 0 HB3 SER B 32 -6.274 4.717 5.132 1.00 0.00 H new ATOM 0 HG SER B 32 -5.169 3.162 6.474 1.00 0.00 H new ATOM 1202 N ILE B 33 -8.733 5.543 4.833 1.00 0.00 N ATOM 1203 CA ILE B 33 -9.674 6.542 5.413 1.00 0.00 C ATOM 1204 C ILE B 33 -11.114 6.179 5.052 1.00 0.00 C ATOM 1205 O ILE B 33 -12.020 6.314 5.851 1.00 0.00 O ATOM 1206 CB ILE B 33 -9.279 7.876 4.776 1.00 0.00 C ATOM 1207 CG1 ILE B 33 -7.861 8.252 5.217 1.00 0.00 C ATOM 1208 CG2 ILE B 33 -10.255 8.967 5.222 1.00 0.00 C ATOM 1209 CD1 ILE B 33 -7.813 8.371 6.740 1.00 0.00 C ATOM 0 H ILE B 33 -8.064 5.916 4.159 1.00 0.00 H new ATOM 0 HA ILE B 33 -9.619 6.580 6.501 1.00 0.00 H new ATOM 0 HB ILE B 33 -9.311 7.782 3.691 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -7.152 7.497 4.879 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -7.565 9.196 4.759 1.00 0.00 H new ATOM 0 HG21 ILE B 33 -9.972 9.916 4.767 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -11.265 8.702 4.909 1.00 0.00 H new ATOM 0 HG23 ILE B 33 -10.224 9.061 6.307 1.00 0.00 H new ATOM 0 HD11 ILE B 33 -6.804 8.639 7.052 1.00 0.00 H new ATOM 0 HD12 ILE B 33 -8.510 9.142 7.067 1.00 0.00 H new ATOM 0 HD13 ILE B 33 -8.091 7.417 7.188 1.00 0.00 H new ATOM 1221 N VAL B 34 -11.335 5.716 3.851 1.00 0.00 N ATOM 1222 CA VAL B 34 -12.717 5.341 3.437 1.00 0.00 C ATOM 1223 C VAL B 34 -13.239 4.196 4.310 1.00 0.00 C ATOM 1224 O VAL B 34 -14.430 3.998 4.446 1.00 0.00 O ATOM 1225 CB VAL B 34 -12.586 4.893 1.982 1.00 0.00 C ATOM 1226 CG1 VAL B 34 -13.962 4.488 1.446 1.00 0.00 C ATOM 1227 CG2 VAL B 34 -12.032 6.048 1.143 1.00 0.00 C ATOM 0 H VAL B 34 -10.617 5.581 3.139 1.00 0.00 H new ATOM 0 HA VAL B 34 -13.420 6.167 3.546 1.00 0.00 H new ATOM 0 HB VAL B 34 -11.909 4.041 1.923 1.00 0.00 H new ATOM 0 HG11 VAL B 34 -13.869 4.168 0.408 1.00 0.00 H new ATOM 0 HG12 VAL B 34 -14.358 3.667 2.044 1.00 0.00 H new ATOM 0 HG13 VAL B 34 -14.640 5.339 1.504 1.00 0.00 H new ATOM 0 HG21 VAL B 34 -11.938 5.731 0.104 1.00 0.00 H new ATOM 0 HG22 VAL B 34 -12.711 6.899 1.202 1.00 0.00 H new ATOM 0 HG23 VAL B 34 -11.053 6.338 1.524 1.00 0.00 H new ATOM 1237 N GLN B 35 -12.356 3.439 4.903 1.00 0.00 N ATOM 1238 CA GLN B 35 -12.801 2.309 5.768 1.00 0.00 C ATOM 1239 C GLN B 35 -12.620 2.672 7.243 1.00 0.00 C ATOM 1240 O GLN B 35 -13.472 2.406 8.067 1.00 0.00 O ATOM 1241 CB GLN B 35 -11.898 1.136 5.390 1.00 0.00 C ATOM 1242 CG GLN B 35 -12.444 -0.150 6.014 1.00 0.00 C ATOM 1243 CD GLN B 35 -12.225 -1.317 5.049 1.00 0.00 C ATOM 1244 OE1 GLN B 35 -11.541 -1.178 4.055 1.00 0.00 O ATOM 1245 NE2 GLN B 35 -12.784 -2.469 5.301 1.00 0.00 N ATOM 0 H GLN B 35 -11.345 3.554 4.826 1.00 0.00 H new ATOM 0 HA GLN B 35 -13.855 2.071 5.625 1.00 0.00 H new ATOM 0 HB2 GLN B 35 -11.850 1.035 4.306 1.00 0.00 H new ATOM 0 HB3 GLN B 35 -10.881 1.319 5.738 1.00 0.00 H new ATOM 0 HG2 GLN B 35 -11.943 -0.349 6.961 1.00 0.00 H new ATOM 0 HG3 GLN B 35 -13.506 -0.039 6.232 1.00 0.00 H new ATOM 0 HE21 GLN B 35 -13.358 -2.585 6.136 1.00 0.00 H new ATOM 0 HE22 GLN B 35 -12.647 -3.253 4.663 1.00 0.00 H new ATOM 1254 N LEU B 36 -11.516 3.280 7.581 1.00 0.00 N ATOM 1255 CA LEU B 36 -11.285 3.662 9.005 1.00 0.00 C ATOM 1256 C LEU B 36 -12.292 4.734 9.433 1.00 0.00 C ATOM 1257 O LEU B 36 -12.519 4.949 10.607 1.00 0.00 O ATOM 1258 CB LEU B 36 -9.860 4.214 9.045 1.00 0.00 C ATOM 1259 CG LEU B 36 -8.880 3.085 9.368 1.00 0.00 C ATOM 1260 CD1 LEU B 36 -9.213 2.498 10.740 1.00 0.00 C ATOM 1261 CD2 LEU B 36 -8.994 1.992 8.303 1.00 0.00 C ATOM 0 H LEU B 36 -10.766 3.529 6.936 1.00 0.00 H new ATOM 0 HA LEU B 36 -11.411 2.819 9.684 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -9.607 4.665 8.085 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -9.785 5.000 9.796 1.00 0.00 H new ATOM 0 HG LEU B 36 -7.863 3.477 9.379 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -8.515 1.693 10.971 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -9.132 3.277 11.498 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -10.230 2.105 10.731 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -8.296 1.187 8.532 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -10.011 1.599 8.292 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -8.757 2.411 7.325 1.00 0.00 H new ATOM 1273 N CYS B 37 -12.903 5.404 8.492 1.00 0.00 N ATOM 1274 CA CYS B 37 -13.898 6.457 8.853 1.00 0.00 C ATOM 1275 C CYS B 37 -14.935 5.883 9.823 1.00 0.00 C ATOM 1276 O CYS B 37 -15.416 6.563 10.707 1.00 0.00 O ATOM 1277 CB CYS B 37 -14.560 6.850 7.532 1.00 0.00 C ATOM 1278 SG CYS B 37 -15.706 8.221 7.816 1.00 0.00 S ATOM 0 H CYS B 37 -12.757 5.269 7.492 1.00 0.00 H new ATOM 0 HA CYS B 37 -13.436 7.313 9.345 1.00 0.00 H new ATOM 0 HB2 CYS B 37 -13.802 7.141 6.805 1.00 0.00 H new ATOM 0 HB3 CYS B 37 -15.093 5.997 7.112 1.00 0.00 H new ATOM 1283 N THR B 38 -15.271 4.633 9.667 1.00 0.00 N ATOM 1284 CA THR B 38 -16.266 4.008 10.582 1.00 0.00 C ATOM 1285 C THR B 38 -15.729 3.997 12.020 1.00 0.00 C ATOM 1286 O THR B 38 -16.466 3.796 12.965 1.00 0.00 O ATOM 1287 CB THR B 38 -16.440 2.579 10.061 1.00 0.00 C ATOM 1288 OG1 THR B 38 -16.639 2.613 8.654 1.00 0.00 O ATOM 1289 CG2 THR B 38 -17.649 1.930 10.735 1.00 0.00 C ATOM 0 H THR B 38 -14.899 4.017 8.944 1.00 0.00 H new ATOM 0 HA THR B 38 -17.210 4.552 10.601 1.00 0.00 H new ATOM 0 HB THR B 38 -15.547 1.997 10.289 1.00 0.00 H new ATOM 0 HG1 THR B 38 -16.749 1.699 8.317 1.00 0.00 H new ATOM 0 HG21 THR B 38 -17.771 0.913 10.362 1.00 0.00 H new ATOM 0 HG22 THR B 38 -17.494 1.905 11.814 1.00 0.00 H new ATOM 0 HG23 THR B 38 -18.545 2.508 10.510 1.00 0.00 H new ATOM 1297 N ALA B 39 -14.450 4.216 12.189 1.00 0.00 N ATOM 1298 CA ALA B 39 -13.865 4.223 13.562 1.00 0.00 C ATOM 1299 C ALA B 39 -14.157 2.901 14.274 1.00 0.00 C ATOM 1300 O ALA B 39 -14.527 1.920 13.658 1.00 0.00 O ATOM 1301 CB ALA B 39 -14.547 5.387 14.286 1.00 0.00 C ATOM 0 H ALA B 39 -13.786 4.390 11.435 1.00 0.00 H new ATOM 0 HA ALA B 39 -12.781 4.338 13.543 1.00 0.00 H new ATOM 0 HB1 ALA B 39 -14.166 5.455 15.305 1.00 0.00 H new ATOM 0 HB2 ALA B 39 -14.337 6.317 13.758 1.00 0.00 H new ATOM 0 HB3 ALA B 39 -15.624 5.219 14.311 1.00 0.00 H new ATOM 1307 N ARG B 40 -13.985 2.865 15.566 1.00 0.00 N ATOM 1308 CA ARG B 40 -14.242 1.606 16.321 1.00 0.00 C ATOM 1309 C ARG B 40 -13.461 0.435 15.708 1.00 0.00 C ATOM 1310 O ARG B 40 -14.020 -0.617 15.473 1.00 0.00 O ATOM 1311 CB ARG B 40 -15.748 1.369 16.191 1.00 0.00 C ATOM 1312 CG ARG B 40 -16.505 2.523 16.850 1.00 0.00 C ATOM 1313 CD ARG B 40 -17.764 1.982 17.534 1.00 0.00 C ATOM 1314 NE ARG B 40 -18.897 2.593 16.789 1.00 0.00 N ATOM 1315 CZ ARG B 40 -19.959 1.885 16.516 1.00 0.00 C ATOM 1316 NH1 ARG B 40 -19.895 0.928 15.630 1.00 0.00 N ATOM 1317 NH2 ARG B 40 -21.085 2.131 17.129 1.00 0.00 N ATOM 0 H ARG B 40 -13.677 3.655 16.133 1.00 0.00 H new ATOM 0 HA ARG B 40 -13.924 1.682 17.361 1.00 0.00 H new ATOM 0 HB2 ARG B 40 -16.025 1.292 15.140 1.00 0.00 H new ATOM 0 HB3 ARG B 40 -16.020 0.425 16.663 1.00 0.00 H new ATOM 0 HG2 ARG B 40 -15.867 3.021 17.580 1.00 0.00 H new ATOM 0 HG3 ARG B 40 -16.776 3.268 16.102 1.00 0.00 H new ATOM 0 HD2 ARG B 40 -17.802 0.894 17.488 1.00 0.00 H new ATOM 0 HD3 ARG B 40 -17.790 2.257 18.588 1.00 0.00 H new ATOM 0 HE ARG B 40 -18.844 3.567 16.491 1.00 0.00 H new ATOM 0 HH11 ARG B 40 -19.015 0.734 15.152 1.00 0.00 H new ATOM 0 HH12 ARG B 40 -20.725 0.374 15.416 1.00 0.00 H new ATOM 0 HH21 ARG B 40 -21.136 2.877 17.822 1.00 0.00 H new ATOM 0 HH22 ARG B 40 -21.914 1.577 16.915 1.00 0.00 H new ATOM 1331 N PRO B 41 -12.187 0.646 15.467 1.00 0.00 N ATOM 1332 CA PRO B 41 -11.347 -0.427 14.880 1.00 0.00 C ATOM 1333 C PRO B 41 -11.015 -1.481 15.938 1.00 0.00 C ATOM 1334 O PRO B 41 -10.171 -1.275 16.787 1.00 0.00 O ATOM 1335 CB PRO B 41 -10.086 0.306 14.436 1.00 0.00 C ATOM 1336 CG PRO B 41 -10.009 1.520 15.308 1.00 0.00 C ATOM 1337 CD PRO B 41 -11.416 1.875 15.711 1.00 0.00 C ATOM 0 HA PRO B 41 -11.838 -0.956 14.063 1.00 0.00 H new ATOM 0 HB2 PRO B 41 -9.203 -0.322 14.556 1.00 0.00 H new ATOM 0 HB3 PRO B 41 -10.141 0.581 13.383 1.00 0.00 H new ATOM 0 HG2 PRO B 41 -9.396 1.323 16.187 1.00 0.00 H new ATOM 0 HG3 PRO B 41 -9.542 2.348 14.774 1.00 0.00 H new ATOM 0 HD2 PRO B 41 -11.466 2.174 16.758 1.00 0.00 H new ATOM 0 HD3 PRO B 41 -11.800 2.708 15.123 1.00 0.00 H new ATOM 1345 N GLU B 42 -11.667 -2.611 15.893 1.00 0.00 N ATOM 1346 CA GLU B 42 -11.383 -3.678 16.899 1.00 0.00 C ATOM 1347 C GLU B 42 -9.881 -3.973 16.945 1.00 0.00 C ATOM 1348 O GLU B 42 -9.216 -3.711 17.926 1.00 0.00 O ATOM 1349 CB GLU B 42 -12.158 -4.904 16.408 1.00 0.00 C ATOM 1350 CG GLU B 42 -11.907 -6.077 17.358 1.00 0.00 C ATOM 1351 CD GLU B 42 -12.499 -5.758 18.730 1.00 0.00 C ATOM 1352 OE1 GLU B 42 -13.571 -5.176 18.771 1.00 0.00 O ATOM 1353 OE2 GLU B 42 -11.871 -6.103 19.719 1.00 0.00 O ATOM 0 H GLU B 42 -12.383 -2.843 15.205 1.00 0.00 H new ATOM 0 HA GLU B 42 -11.680 -3.387 17.906 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -13.224 -4.680 16.362 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -11.844 -5.166 15.398 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -12.358 -6.985 16.958 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -10.837 -6.264 17.447 1.00 0.00 H new ATOM 1360 N ARG B 43 -9.342 -4.515 15.886 1.00 0.00 N ATOM 1361 CA ARG B 43 -7.883 -4.824 15.866 1.00 0.00 C ATOM 1362 C ARG B 43 -7.220 -4.151 14.657 1.00 0.00 C ATOM 1363 O ARG B 43 -7.025 -4.777 13.635 1.00 0.00 O ATOM 1364 CB ARG B 43 -7.800 -6.346 15.742 1.00 0.00 C ATOM 1365 CG ARG B 43 -7.528 -6.955 17.118 1.00 0.00 C ATOM 1366 CD ARG B 43 -6.021 -6.973 17.381 1.00 0.00 C ATOM 1367 NE ARG B 43 -5.891 -7.191 18.848 1.00 0.00 N ATOM 1368 CZ ARG B 43 -4.723 -7.091 19.420 1.00 0.00 C ATOM 1369 NH1 ARG B 43 -3.748 -7.881 19.060 1.00 0.00 N ATOM 1370 NH2 ARG B 43 -4.528 -6.200 20.354 1.00 0.00 N ATOM 0 H ARG B 43 -9.849 -4.757 15.034 1.00 0.00 H new ATOM 0 HA ARG B 43 -7.371 -4.460 16.757 1.00 0.00 H new ATOM 0 HB2 ARG B 43 -8.732 -6.740 15.336 1.00 0.00 H new ATOM 0 HB3 ARG B 43 -7.007 -6.622 15.047 1.00 0.00 H new ATOM 0 HG2 ARG B 43 -8.035 -6.376 17.890 1.00 0.00 H new ATOM 0 HG3 ARG B 43 -7.928 -7.968 17.164 1.00 0.00 H new ATOM 0 HD2 ARG B 43 -5.531 -7.768 16.818 1.00 0.00 H new ATOM 0 HD3 ARG B 43 -5.556 -6.035 17.078 1.00 0.00 H new ATOM 0 HE ARG B 43 -6.715 -7.418 19.405 1.00 0.00 H new ATOM 0 HH11 ARG B 43 -3.899 -8.578 18.330 1.00 0.00 H new ATOM 0 HH12 ARG B 43 -2.835 -7.802 19.508 1.00 0.00 H new ATOM 0 HH21 ARG B 43 -5.289 -5.582 20.636 1.00 0.00 H new ATOM 0 HH22 ARG B 43 -3.615 -6.122 20.801 1.00 0.00 H new ATOM 1384 N PRO B 44 -6.894 -2.891 14.813 1.00 0.00 N ATOM 1385 CA PRO B 44 -6.251 -2.133 13.710 1.00 0.00 C ATOM 1386 C PRO B 44 -4.807 -2.604 13.511 1.00 0.00 C ATOM 1387 O PRO B 44 -4.308 -2.652 12.405 1.00 0.00 O ATOM 1388 CB PRO B 44 -6.291 -0.687 14.194 1.00 0.00 C ATOM 1389 CG PRO B 44 -6.361 -0.781 15.684 1.00 0.00 C ATOM 1390 CD PRO B 44 -7.091 -2.058 16.009 1.00 0.00 C ATOM 0 HA PRO B 44 -6.750 -2.267 12.750 1.00 0.00 H new ATOM 0 HB2 PRO B 44 -5.405 -0.139 13.874 1.00 0.00 H new ATOM 0 HB3 PRO B 44 -7.155 -0.159 13.791 1.00 0.00 H new ATOM 0 HG2 PRO B 44 -5.361 -0.787 16.118 1.00 0.00 H new ATOM 0 HG3 PRO B 44 -6.884 0.080 16.101 1.00 0.00 H new ATOM 0 HD2 PRO B 44 -6.684 -2.536 16.900 1.00 0.00 H new ATOM 0 HD3 PRO B 44 -8.149 -1.876 16.200 1.00 0.00 H new ATOM 1398 N MET B 45 -4.135 -2.955 14.573 1.00 0.00 N ATOM 1399 CA MET B 45 -2.726 -3.424 14.439 1.00 0.00 C ATOM 1400 C MET B 45 -2.644 -4.552 13.407 1.00 0.00 C ATOM 1401 O MET B 45 -1.875 -4.494 12.469 1.00 0.00 O ATOM 1402 CB MET B 45 -2.344 -3.936 15.829 1.00 0.00 C ATOM 1403 CG MET B 45 -2.090 -2.749 16.758 1.00 0.00 C ATOM 1404 SD MET B 45 -0.994 -3.260 18.104 1.00 0.00 S ATOM 1405 CE MET B 45 -1.477 -1.979 19.288 1.00 0.00 C ATOM 0 H MET B 45 -4.499 -2.938 15.526 1.00 0.00 H new ATOM 0 HA MET B 45 -2.056 -2.634 14.100 1.00 0.00 H new ATOM 0 HB2 MET B 45 -3.142 -4.561 16.230 1.00 0.00 H new ATOM 0 HB3 MET B 45 -1.452 -4.559 15.766 1.00 0.00 H new ATOM 0 HG2 MET B 45 -1.640 -1.927 16.201 1.00 0.00 H new ATOM 0 HG3 MET B 45 -3.033 -2.382 17.162 1.00 0.00 H new ATOM 0 HE1 MET B 45 -0.912 -2.106 20.212 1.00 0.00 H new ATOM 0 HE2 MET B 45 -1.267 -0.996 18.866 1.00 0.00 H new ATOM 0 HE3 MET B 45 -2.543 -2.063 19.500 1.00 0.00 H new ATOM 1415 N ALA B 46 -3.436 -5.574 13.572 1.00 0.00 N ATOM 1416 CA ALA B 46 -3.408 -6.701 12.597 1.00 0.00 C ATOM 1417 C ALA B 46 -4.231 -6.340 11.357 1.00 0.00 C ATOM 1418 O ALA B 46 -4.048 -6.899 10.294 1.00 0.00 O ATOM 1419 CB ALA B 46 -4.040 -7.881 13.337 1.00 0.00 C ATOM 0 H ALA B 46 -4.101 -5.678 14.338 1.00 0.00 H new ATOM 0 HA ALA B 46 -2.399 -6.930 12.255 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -4.056 -8.753 12.684 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -3.455 -8.106 14.229 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -5.059 -7.625 13.626 1.00 0.00 H new ATOM 1425 N PHE B 47 -5.134 -5.405 11.484 1.00 0.00 N ATOM 1426 CA PHE B 47 -5.964 -5.007 10.311 1.00 0.00 C ATOM 1427 C PHE B 47 -5.059 -4.618 9.139 1.00 0.00 C ATOM 1428 O PHE B 47 -5.339 -4.925 7.999 1.00 0.00 O ATOM 1429 CB PHE B 47 -6.776 -3.802 10.784 1.00 0.00 C ATOM 1430 CG PHE B 47 -7.627 -3.289 9.648 1.00 0.00 C ATOM 1431 CD1 PHE B 47 -8.793 -3.990 9.265 1.00 0.00 C ATOM 1432 CD2 PHE B 47 -7.256 -2.109 8.965 1.00 0.00 C ATOM 1433 CE1 PHE B 47 -9.588 -3.509 8.201 1.00 0.00 C ATOM 1434 CE2 PHE B 47 -8.053 -1.628 7.902 1.00 0.00 C ATOM 1435 CZ PHE B 47 -9.218 -2.329 7.520 1.00 0.00 C ATOM 0 H PHE B 47 -5.332 -4.900 12.348 1.00 0.00 H new ATOM 0 HA PHE B 47 -6.607 -5.816 9.966 1.00 0.00 H new ATOM 0 HB2 PHE B 47 -7.407 -4.084 11.626 1.00 0.00 H new ATOM 0 HB3 PHE B 47 -6.108 -3.016 11.136 1.00 0.00 H new ATOM 0 HD1 PHE B 47 -9.076 -4.893 9.786 1.00 0.00 H new ATOM 0 HD2 PHE B 47 -6.363 -1.575 9.255 1.00 0.00 H new ATOM 0 HE1 PHE B 47 -10.479 -4.044 7.908 1.00 0.00 H new ATOM 0 HE2 PHE B 47 -7.771 -0.724 7.382 1.00 0.00 H new ATOM 0 HZ PHE B 47 -9.826 -1.962 6.706 1.00 0.00 H new ATOM 1445 N LEU B 48 -3.972 -3.947 9.412 1.00 0.00 N ATOM 1446 CA LEU B 48 -3.048 -3.543 8.310 1.00 0.00 C ATOM 1447 C LEU B 48 -2.692 -4.762 7.455 1.00 0.00 C ATOM 1448 O LEU B 48 -2.648 -4.694 6.242 1.00 0.00 O ATOM 1449 CB LEU B 48 -1.805 -3.000 9.013 1.00 0.00 C ATOM 1450 CG LEU B 48 -1.773 -1.475 8.892 1.00 0.00 C ATOM 1451 CD1 LEU B 48 -0.548 -0.927 9.628 1.00 0.00 C ATOM 1452 CD2 LEU B 48 -1.699 -1.082 7.414 1.00 0.00 C ATOM 0 H LEU B 48 -3.683 -3.661 10.348 1.00 0.00 H new ATOM 0 HA LEU B 48 -3.493 -2.803 7.645 1.00 0.00 H new ATOM 0 HB2 LEU B 48 -1.812 -3.292 10.063 1.00 0.00 H new ATOM 0 HB3 LEU B 48 -0.907 -3.429 8.569 1.00 0.00 H new ATOM 0 HG LEU B 48 -2.677 -1.058 9.335 1.00 0.00 H new ATOM 0 HD11 LEU B 48 -0.527 0.159 9.541 1.00 0.00 H new ATOM 0 HD12 LEU B 48 -0.601 -1.205 10.680 1.00 0.00 H new ATOM 0 HD13 LEU B 48 0.358 -1.344 9.188 1.00 0.00 H new ATOM 0 HD21 LEU B 48 -1.676 0.004 7.327 1.00 0.00 H new ATOM 0 HD22 LEU B 48 -0.795 -1.501 6.971 1.00 0.00 H new ATOM 0 HD23 LEU B 48 -2.573 -1.470 6.890 1.00 0.00 H new ATOM 1464 N ARG B 49 -2.441 -5.882 8.082 1.00 0.00 N ATOM 1465 CA ARG B 49 -2.096 -7.107 7.309 1.00 0.00 C ATOM 1466 C ARG B 49 -3.272 -7.511 6.420 1.00 0.00 C ATOM 1467 O ARG B 49 -3.158 -7.570 5.213 1.00 0.00 O ATOM 1468 CB ARG B 49 -1.824 -8.179 8.365 1.00 0.00 C ATOM 1469 CG ARG B 49 -1.571 -9.524 7.678 1.00 0.00 C ATOM 1470 CD ARG B 49 -2.489 -10.589 8.283 1.00 0.00 C ATOM 1471 NE ARG B 49 -1.595 -11.435 9.120 1.00 0.00 N ATOM 1472 CZ ARG B 49 -2.077 -12.477 9.742 1.00 0.00 C ATOM 1473 NH1 ARG B 49 -2.552 -13.482 9.059 1.00 0.00 N ATOM 1474 NH2 ARG B 49 -2.081 -12.514 11.046 1.00 0.00 N ATOM 0 H ARG B 49 -2.461 -5.999 9.095 1.00 0.00 H new ATOM 0 HA ARG B 49 -1.238 -6.958 6.654 1.00 0.00 H new ATOM 0 HB2 ARG B 49 -0.960 -7.899 8.968 1.00 0.00 H new ATOM 0 HB3 ARG B 49 -2.674 -8.260 9.043 1.00 0.00 H new ATOM 0 HG2 ARG B 49 -1.754 -9.437 6.607 1.00 0.00 H new ATOM 0 HG3 ARG B 49 -0.528 -9.816 7.800 1.00 0.00 H new ATOM 0 HD2 ARG B 49 -3.279 -10.136 8.882 1.00 0.00 H new ATOM 0 HD3 ARG B 49 -2.977 -11.178 7.506 1.00 0.00 H new ATOM 0 HE ARG B 49 -0.606 -11.201 9.208 1.00 0.00 H new ATOM 0 HH11 ARG B 49 -2.547 -13.454 8.039 1.00 0.00 H new ATOM 0 HH12 ARG B 49 -2.929 -14.296 9.545 1.00 0.00 H new ATOM 0 HH21 ARG B 49 -1.708 -11.729 11.580 1.00 0.00 H new ATOM 0 HH22 ARG B 49 -2.458 -13.328 11.532 1.00 0.00 H new ATOM 1488 N GLU B 50 -4.403 -7.789 7.008 1.00 0.00 N ATOM 1489 CA GLU B 50 -5.591 -8.186 6.197 1.00 0.00 C ATOM 1490 C GLU B 50 -6.149 -6.983 5.424 1.00 0.00 C ATOM 1491 O GLU B 50 -7.056 -7.117 4.627 1.00 0.00 O ATOM 1492 CB GLU B 50 -6.615 -8.686 7.218 1.00 0.00 C ATOM 1493 CG GLU B 50 -7.307 -9.938 6.679 1.00 0.00 C ATOM 1494 CD GLU B 50 -7.792 -10.795 7.849 1.00 0.00 C ATOM 1495 OE1 GLU B 50 -8.033 -10.238 8.907 1.00 0.00 O ATOM 1496 OE2 GLU B 50 -7.918 -11.995 7.667 1.00 0.00 O ATOM 0 H GLU B 50 -4.557 -7.759 8.016 1.00 0.00 H new ATOM 0 HA GLU B 50 -5.343 -8.945 5.455 1.00 0.00 H new ATOM 0 HB2 GLU B 50 -6.121 -8.910 8.164 1.00 0.00 H new ATOM 0 HB3 GLU B 50 -7.352 -7.909 7.419 1.00 0.00 H new ATOM 0 HG2 GLU B 50 -8.149 -9.657 6.046 1.00 0.00 H new ATOM 0 HG3 GLU B 50 -6.617 -10.509 6.057 1.00 0.00 H new ATOM 1503 N TYR B 51 -5.623 -5.810 5.651 1.00 0.00 N ATOM 1504 CA TYR B 51 -6.132 -4.609 4.927 1.00 0.00 C ATOM 1505 C TYR B 51 -5.673 -4.631 3.465 1.00 0.00 C ATOM 1506 O TYR B 51 -6.466 -4.789 2.558 1.00 0.00 O ATOM 1507 CB TYR B 51 -5.526 -3.414 5.676 1.00 0.00 C ATOM 1508 CG TYR B 51 -5.770 -2.140 4.899 1.00 0.00 C ATOM 1509 CD1 TYR B 51 -7.079 -1.617 4.784 1.00 0.00 C ATOM 1510 CD2 TYR B 51 -4.688 -1.474 4.280 1.00 0.00 C ATOM 1511 CE1 TYR B 51 -7.304 -0.431 4.053 1.00 0.00 C ATOM 1512 CE2 TYR B 51 -4.913 -0.288 3.550 1.00 0.00 C ATOM 1513 CZ TYR B 51 -6.221 0.234 3.435 1.00 0.00 C ATOM 1514 OH TYR B 51 -6.442 1.392 2.719 1.00 0.00 O ATOM 0 H TYR B 51 -4.862 -5.631 6.307 1.00 0.00 H new ATOM 0 HA TYR B 51 -7.221 -4.566 4.907 1.00 0.00 H new ATOM 0 HB2 TYR B 51 -5.968 -3.334 6.669 1.00 0.00 H new ATOM 0 HB3 TYR B 51 -4.456 -3.566 5.815 1.00 0.00 H new ATOM 0 HD1 TYR B 51 -7.907 -2.125 5.256 1.00 0.00 H new ATOM 0 HD2 TYR B 51 -3.688 -1.873 4.366 1.00 0.00 H new ATOM 0 HE1 TYR B 51 -8.304 -0.032 3.966 1.00 0.00 H new ATOM 0 HE2 TYR B 51 -4.085 0.221 3.079 1.00 0.00 H new ATOM 0 HH TYR B 51 -5.583 1.782 2.455 1.00 0.00 H new ATOM 1524 N PHE B 52 -4.400 -4.462 3.227 1.00 0.00 N ATOM 1525 CA PHE B 52 -3.901 -4.463 1.819 1.00 0.00 C ATOM 1526 C PHE B 52 -3.740 -5.894 1.301 1.00 0.00 C ATOM 1527 O PHE B 52 -3.839 -6.149 0.117 1.00 0.00 O ATOM 1528 CB PHE B 52 -2.547 -3.758 1.878 1.00 0.00 C ATOM 1529 CG PHE B 52 -2.403 -2.848 0.682 1.00 0.00 C ATOM 1530 CD1 PHE B 52 -2.871 -1.516 0.746 1.00 0.00 C ATOM 1531 CD2 PHE B 52 -1.796 -3.327 -0.499 1.00 0.00 C ATOM 1532 CE1 PHE B 52 -2.734 -0.666 -0.373 1.00 0.00 C ATOM 1533 CE2 PHE B 52 -1.658 -2.476 -1.619 1.00 0.00 C ATOM 1534 CZ PHE B 52 -2.127 -1.144 -1.556 1.00 0.00 C ATOM 0 H PHE B 52 -3.686 -4.324 3.942 1.00 0.00 H new ATOM 0 HA PHE B 52 -4.594 -3.964 1.141 1.00 0.00 H new ATOM 0 HB2 PHE B 52 -2.465 -3.182 2.799 1.00 0.00 H new ATOM 0 HB3 PHE B 52 -1.742 -4.493 1.889 1.00 0.00 H new ATOM 0 HD1 PHE B 52 -3.333 -1.149 1.650 1.00 0.00 H new ATOM 0 HD2 PHE B 52 -1.437 -4.344 -0.547 1.00 0.00 H new ATOM 0 HE1 PHE B 52 -3.094 0.351 -0.325 1.00 0.00 H new ATOM 0 HE2 PHE B 52 -1.194 -2.843 -2.523 1.00 0.00 H new ATOM 0 HZ PHE B 52 -2.022 -0.493 -2.411 1.00 0.00 H new ATOM 1544 N GLU B 53 -3.487 -6.833 2.174 1.00 0.00 N ATOM 1545 CA GLU B 53 -3.317 -8.244 1.721 1.00 0.00 C ATOM 1546 C GLU B 53 -4.562 -8.711 0.962 1.00 0.00 C ATOM 1547 O GLU B 53 -4.468 -9.328 -0.082 1.00 0.00 O ATOM 1548 CB GLU B 53 -3.137 -9.053 3.004 1.00 0.00 C ATOM 1549 CG GLU B 53 -3.019 -10.540 2.662 1.00 0.00 C ATOM 1550 CD GLU B 53 -3.029 -11.361 3.953 1.00 0.00 C ATOM 1551 OE1 GLU B 53 -2.705 -10.803 4.989 1.00 0.00 O ATOM 1552 OE2 GLU B 53 -3.358 -12.534 3.884 1.00 0.00 O ATOM 0 H GLU B 53 -3.391 -6.684 3.179 1.00 0.00 H new ATOM 0 HA GLU B 53 -2.471 -8.360 1.044 1.00 0.00 H new ATOM 0 HB2 GLU B 53 -2.245 -8.720 3.534 1.00 0.00 H new ATOM 0 HB3 GLU B 53 -3.983 -8.889 3.671 1.00 0.00 H new ATOM 0 HG2 GLU B 53 -3.845 -10.843 2.019 1.00 0.00 H new ATOM 0 HG3 GLU B 53 -2.099 -10.725 2.108 1.00 0.00 H new ATOM 1559 N LYS B 54 -5.727 -8.425 1.477 1.00 0.00 N ATOM 1560 CA LYS B 54 -6.974 -8.858 0.783 1.00 0.00 C ATOM 1561 C LYS B 54 -7.355 -7.846 -0.303 1.00 0.00 C ATOM 1562 O LYS B 54 -8.000 -8.181 -1.277 1.00 0.00 O ATOM 1563 CB LYS B 54 -8.042 -8.895 1.874 1.00 0.00 C ATOM 1564 CG LYS B 54 -8.358 -10.349 2.232 1.00 0.00 C ATOM 1565 CD LYS B 54 -9.351 -10.384 3.393 1.00 0.00 C ATOM 1566 CE LYS B 54 -9.393 -11.793 3.990 1.00 0.00 C ATOM 1567 NZ LYS B 54 -10.834 -12.054 4.262 1.00 0.00 N ATOM 0 H LYS B 54 -5.869 -7.911 2.347 1.00 0.00 H new ATOM 0 HA LYS B 54 -6.857 -9.824 0.292 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -7.693 -8.360 2.757 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -8.945 -8.390 1.531 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -8.775 -10.865 1.367 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -7.443 -10.874 2.506 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -9.059 -9.663 4.157 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -10.343 -10.096 3.045 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -8.983 -12.528 3.297 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -8.802 -11.852 4.904 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -10.943 -13.003 4.673 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -11.195 -11.343 4.930 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -11.371 -11.998 3.373 1.00 0.00 H new ATOM 1581 N LEU B 55 -6.962 -6.613 -0.141 1.00 0.00 N ATOM 1582 CA LEU B 55 -7.304 -5.583 -1.165 1.00 0.00 C ATOM 1583 C LEU B 55 -6.699 -5.959 -2.519 1.00 0.00 C ATOM 1584 O LEU B 55 -7.181 -5.558 -3.559 1.00 0.00 O ATOM 1585 CB LEU B 55 -6.689 -4.283 -0.645 1.00 0.00 C ATOM 1586 CG LEU B 55 -7.740 -3.173 -0.676 1.00 0.00 C ATOM 1587 CD1 LEU B 55 -7.128 -1.874 -0.147 1.00 0.00 C ATOM 1588 CD2 LEU B 55 -8.218 -2.960 -2.115 1.00 0.00 C ATOM 0 H LEU B 55 -6.420 -6.273 0.654 1.00 0.00 H new ATOM 0 HA LEU B 55 -8.380 -5.493 -1.313 1.00 0.00 H new ATOM 0 HB2 LEU B 55 -6.323 -4.423 0.372 1.00 0.00 H new ATOM 0 HB3 LEU B 55 -5.832 -4.004 -1.257 1.00 0.00 H new ATOM 0 HG LEU B 55 -8.585 -3.459 -0.050 1.00 0.00 H new ATOM 0 HD11 LEU B 55 -7.878 -1.083 -0.169 1.00 0.00 H new ATOM 0 HD12 LEU B 55 -6.788 -2.023 0.878 1.00 0.00 H new ATOM 0 HD13 LEU B 55 -6.282 -1.589 -0.772 1.00 0.00 H new ATOM 0 HD21 LEU B 55 -8.967 -2.169 -2.136 1.00 0.00 H new ATOM 0 HD22 LEU B 55 -7.372 -2.676 -2.741 1.00 0.00 H new ATOM 0 HD23 LEU B 55 -8.655 -3.884 -2.494 1.00 0.00 H new ATOM 1600 N GLU B 56 -5.643 -6.727 -2.516 1.00 0.00 N ATOM 1601 CA GLU B 56 -5.010 -7.128 -3.805 1.00 0.00 C ATOM 1602 C GLU B 56 -5.826 -8.238 -4.472 1.00 0.00 C ATOM 1603 O GLU B 56 -6.024 -8.243 -5.669 1.00 0.00 O ATOM 1604 CB GLU B 56 -3.620 -7.638 -3.423 1.00 0.00 C ATOM 1605 CG GLU B 56 -2.627 -7.302 -4.537 1.00 0.00 C ATOM 1606 CD GLU B 56 -2.717 -8.361 -5.639 1.00 0.00 C ATOM 1607 OE1 GLU B 56 -2.066 -9.384 -5.504 1.00 0.00 O ATOM 1608 OE2 GLU B 56 -3.435 -8.129 -6.597 1.00 0.00 O ATOM 0 H GLU B 56 -5.192 -7.094 -1.678 1.00 0.00 H new ATOM 0 HA GLU B 56 -4.959 -6.302 -4.515 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -3.299 -7.183 -2.486 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -3.649 -8.715 -3.260 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -2.845 -6.316 -4.947 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -1.614 -7.264 -4.136 1.00 0.00 H new ATOM 1615 N LYS B 57 -6.300 -9.176 -3.702 1.00 0.00 N ATOM 1616 CA LYS B 57 -7.106 -10.286 -4.287 1.00 0.00 C ATOM 1617 C LYS B 57 -8.593 -9.916 -4.293 1.00 0.00 C ATOM 1618 O LYS B 57 -9.444 -10.725 -3.981 1.00 0.00 O ATOM 1619 CB LYS B 57 -6.856 -11.483 -3.369 1.00 0.00 C ATOM 1620 CG LYS B 57 -6.668 -12.744 -4.213 1.00 0.00 C ATOM 1621 CD LYS B 57 -6.500 -13.954 -3.293 1.00 0.00 C ATOM 1622 CE LYS B 57 -6.441 -15.232 -4.132 1.00 0.00 C ATOM 1623 NZ LYS B 57 -7.832 -15.762 -4.120 1.00 0.00 N ATOM 0 H LYS B 57 -6.165 -9.223 -2.692 1.00 0.00 H new ATOM 0 HA LYS B 57 -6.828 -10.498 -5.319 1.00 0.00 H new ATOM 0 HB2 LYS B 57 -5.971 -11.307 -2.757 1.00 0.00 H new ATOM 0 HB3 LYS B 57 -7.695 -11.612 -2.686 1.00 0.00 H new ATOM 0 HG2 LYS B 57 -7.528 -12.888 -4.867 1.00 0.00 H new ATOM 0 HG3 LYS B 57 -5.793 -12.638 -4.855 1.00 0.00 H new ATOM 0 HD2 LYS B 57 -5.589 -13.852 -2.703 1.00 0.00 H new ATOM 0 HD3 LYS B 57 -7.331 -14.007 -2.589 1.00 0.00 H new ATOM 0 HE2 LYS B 57 -6.107 -15.023 -5.148 1.00 0.00 H new ATOM 0 HE3 LYS B 57 -5.740 -15.951 -3.708 1.00 0.00 H new ATOM 0 HZ1 LYS B 57 -7.874 -16.640 -4.676 1.00 0.00 H new ATOM 0 HZ2 LYS B 57 -8.120 -15.958 -3.140 1.00 0.00 H new ATOM 0 HZ3 LYS B 57 -8.475 -15.058 -4.536 1.00 0.00 H new ATOM 1637 N GLU B 58 -8.910 -8.699 -4.640 1.00 0.00 N ATOM 1638 CA GLU B 58 -10.343 -8.279 -4.662 1.00 0.00 C ATOM 1639 C GLU B 58 -11.000 -8.707 -5.975 1.00 0.00 C ATOM 1640 O GLU B 58 -11.575 -7.903 -6.682 1.00 0.00 O ATOM 1641 CB GLU B 58 -10.309 -6.756 -4.547 1.00 0.00 C ATOM 1642 CG GLU B 58 -11.418 -6.290 -3.601 1.00 0.00 C ATOM 1643 CD GLU B 58 -11.729 -4.817 -3.864 1.00 0.00 C ATOM 1644 OE1 GLU B 58 -11.096 -3.978 -3.246 1.00 0.00 O ATOM 1645 OE2 GLU B 58 -12.597 -4.551 -4.680 1.00 0.00 O ATOM 0 H GLU B 58 -8.241 -7.977 -4.909 1.00 0.00 H new ATOM 0 HA GLU B 58 -10.921 -8.735 -3.858 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -9.338 -6.431 -4.174 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -10.441 -6.304 -5.530 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -12.314 -6.893 -3.749 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -11.108 -6.428 -2.565 1.00 0.00 H new ATOM 1652 N GLU B 59 -10.927 -9.967 -6.307 1.00 0.00 N ATOM 1653 CA GLU B 59 -11.550 -10.443 -7.575 1.00 0.00 C ATOM 1654 C GLU B 59 -11.041 -9.616 -8.758 1.00 0.00 C ATOM 1655 O GLU B 59 -10.076 -8.887 -8.648 1.00 0.00 O ATOM 1656 CB GLU B 59 -13.054 -10.233 -7.379 1.00 0.00 C ATOM 1657 CG GLU B 59 -13.708 -11.556 -6.973 1.00 0.00 C ATOM 1658 CD GLU B 59 -15.186 -11.317 -6.659 1.00 0.00 C ATOM 1659 OE1 GLU B 59 -15.958 -11.203 -7.596 1.00 0.00 O ATOM 1660 OE2 GLU B 59 -15.519 -11.251 -5.488 1.00 0.00 O ATOM 0 H GLU B 59 -10.463 -10.688 -5.755 1.00 0.00 H new ATOM 0 HA GLU B 59 -11.308 -11.484 -7.790 1.00 0.00 H new ATOM 0 HB2 GLU B 59 -13.229 -9.479 -6.612 1.00 0.00 H new ATOM 0 HB3 GLU B 59 -13.503 -9.861 -8.300 1.00 0.00 H new ATOM 0 HG2 GLU B 59 -13.609 -12.285 -7.777 1.00 0.00 H new ATOM 0 HG3 GLU B 59 -13.202 -11.972 -6.102 1.00 0.00 H new ATOM 1667 N ALA B 60 -11.684 -9.720 -9.889 1.00 0.00 N ATOM 1668 CA ALA B 60 -11.233 -8.938 -11.075 1.00 0.00 C ATOM 1669 C ALA B 60 -12.382 -8.786 -12.078 1.00 0.00 C ATOM 1670 O ALA B 60 -12.612 -7.721 -12.615 1.00 0.00 O ATOM 1671 CB ALA B 60 -10.096 -9.758 -11.682 1.00 0.00 C ATOM 0 H ALA B 60 -12.501 -10.311 -10.043 1.00 0.00 H new ATOM 0 HA ALA B 60 -10.911 -7.932 -10.807 1.00 0.00 H new ATOM 0 HB1 ALA B 60 -9.709 -9.247 -12.563 1.00 0.00 H new ATOM 0 HB2 ALA B 60 -9.298 -9.872 -10.949 1.00 0.00 H new ATOM 0 HB3 ALA B 60 -10.469 -10.742 -11.968 1.00 0.00 H new ATOM 1677 N LYS B 61 -13.098 -9.844 -12.331 1.00 0.00 N ATOM 1678 CA LYS B 61 -14.231 -9.763 -13.297 1.00 0.00 C ATOM 1679 C LYS B 61 -15.454 -9.134 -12.626 1.00 0.00 C ATOM 1680 O LYS B 61 -15.998 -8.197 -13.189 1.00 0.00 O ATOM 1681 CB LYS B 61 -14.521 -11.211 -13.692 1.00 0.00 C ATOM 1682 CG LYS B 61 -13.711 -11.574 -14.939 1.00 0.00 C ATOM 1683 CD LYS B 61 -13.633 -13.097 -15.074 1.00 0.00 C ATOM 1684 CE LYS B 61 -14.442 -13.543 -16.294 1.00 0.00 C ATOM 1685 NZ LYS B 61 -14.028 -14.954 -16.533 1.00 0.00 N ATOM 1686 OXT LYS B 61 -15.825 -9.597 -11.561 1.00 0.00 O ATOM 0 H LYS B 61 -12.949 -10.762 -11.912 1.00 0.00 H new ATOM 0 HA LYS B 61 -13.991 -9.146 -14.163 1.00 0.00 H new ATOM 0 HB2 LYS B 61 -14.264 -11.881 -12.871 1.00 0.00 H new ATOM 0 HB3 LYS B 61 -15.586 -11.339 -13.887 1.00 0.00 H new ATOM 0 HG2 LYS B 61 -14.176 -11.143 -15.826 1.00 0.00 H new ATOM 0 HG3 LYS B 61 -12.708 -11.153 -14.869 1.00 0.00 H new ATOM 0 HD2 LYS B 61 -12.594 -13.411 -15.178 1.00 0.00 H new ATOM 0 HD3 LYS B 61 -14.021 -13.573 -14.173 1.00 0.00 H new ATOM 0 HE2 LYS B 61 -15.513 -13.472 -16.105 1.00 0.00 H new ATOM 0 HE3 LYS B 61 -14.229 -12.917 -17.160 1.00 0.00 H new ATOM 0 HZ1 LYS B 61 -14.540 -15.332 -17.356 1.00 0.00 H new ATOM 0 HZ2 LYS B 61 -13.005 -14.989 -16.716 1.00 0.00 H new ATOM 0 HZ3 LYS B 61 -14.249 -15.528 -15.694 1.00 0.00 H new TER 1700 LYS B 61