USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 574 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 11 CYS SG : rot -50:sc= 2.35 USER MOD Set 1.2: A 14 THR OG1 : rot 50:sc= 1.45 USER MOD Set 1.3: A 29 SER OG : rot 133:sc= 0.359 USER MOD Single : A 1 MET CE :methyl 160:sc= -0.159 (180deg=-0.739) USER MOD Single : A 1 MET N :NH3+ -124:sc= 0.132 (180deg=-0.0969) USER MOD Single : A 3 LYS NZ :NH3+ 166:sc= 0.32 (180deg=-0.322!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= -1.5! C(o=-1.5!,f=-6.8!) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 24 LYS NZ :NH3+ 164:sc= 0.218! (180deg=-0.151!) USER MOD Single : A 25 GLN : amide:sc= -1.2 X(o=-1.2,f=-0.78) USER MOD Single : A 31 GLN : amide:sc= -1.37 K(o=-1.4,f=-6.3!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -168:sc= -0.0206 (180deg=-0.207) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc=-0.00953 X(o=-0.0095,f=-0.51) USER MOD Single : A 54 SER OG : rot 76:sc= 1.05 USER MOD Single : A 59 LYS NZ :NH3+ 178:sc= 1.21 (180deg=1.15) USER MOD Single : A 63 HIS : no HD1:sc= -0.117 X(o=-0.12,f=-0.21) USER MOD Single : A 64 HIS : no HD1:sc= 1.14 K(o=1.1,f=-4.1!) USER MOD Single : A 65 HIS : no HD1:sc= -0.668 K(o=-0.67,f=-0.069) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 HIS : no HE2:sc= 0.164 K(o=0.16,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.144 15.226 -6.739 1.00 0.00 N ATOM 2 CA MET A 1 9.870 13.933 -6.776 1.00 0.00 C ATOM 3 C MET A 1 8.959 12.845 -7.327 1.00 0.00 C ATOM 4 O MET A 1 7.775 13.089 -7.557 1.00 0.00 O ATOM 5 CB MET A 1 10.356 13.550 -5.378 1.00 0.00 C ATOM 6 CG MET A 1 11.392 14.503 -4.806 1.00 0.00 C ATOM 7 SD MET A 1 11.967 14.005 -3.171 1.00 0.00 S ATOM 8 CE MET A 1 12.715 12.416 -3.534 1.00 0.00 C ATOM 0 H1 MET A 1 9.677 15.939 -7.277 1.00 0.00 H new ATOM 0 H2 MET A 1 8.201 15.107 -7.161 1.00 0.00 H new ATOM 0 H3 MET A 1 9.045 15.540 -5.753 1.00 0.00 H new ATOM 0 HA MET A 1 10.738 14.038 -7.427 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.500 13.511 -4.704 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.780 12.546 -5.413 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.243 14.558 -5.485 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.966 15.504 -4.747 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.409 12.150 -2.737 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.937 11.656 -3.607 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.254 12.475 -4.479 1.00 0.00 H new ATOM 20 N GLU A 2 9.489 11.638 -7.506 1.00 0.00 N ATOM 21 CA GLU A 2 8.725 10.567 -8.136 1.00 0.00 C ATOM 22 C GLU A 2 7.895 9.811 -7.094 1.00 0.00 C ATOM 23 O GLU A 2 7.932 8.583 -7.001 1.00 0.00 O ATOM 24 CB GLU A 2 9.648 9.617 -8.909 1.00 0.00 C ATOM 25 CG GLU A 2 8.898 8.718 -9.878 1.00 0.00 C ATOM 26 CD GLU A 2 9.812 7.856 -10.721 1.00 0.00 C ATOM 27 OE1 GLU A 2 10.249 6.793 -10.235 1.00 0.00 O ATOM 28 OE2 GLU A 2 10.077 8.223 -11.886 1.00 0.00 O ATOM 0 H GLU A 2 10.435 11.379 -7.227 1.00 0.00 H new ATOM 0 HA GLU A 2 8.036 11.014 -8.853 1.00 0.00 H new ATOM 0 HB2 GLU A 2 10.383 10.203 -9.460 1.00 0.00 H new ATOM 0 HB3 GLU A 2 10.199 8.999 -8.201 1.00 0.00 H new ATOM 0 HG2 GLU A 2 8.219 8.076 -9.317 1.00 0.00 H new ATOM 0 HG3 GLU A 2 8.284 9.335 -10.534 1.00 0.00 H new ATOM 35 N LYS A 3 7.165 10.574 -6.295 1.00 0.00 N ATOM 36 CA LYS A 3 6.176 10.032 -5.378 1.00 0.00 C ATOM 37 C LYS A 3 4.841 10.718 -5.632 1.00 0.00 C ATOM 38 O LYS A 3 3.865 10.514 -4.910 1.00 0.00 O ATOM 39 CB LYS A 3 6.602 10.238 -3.922 1.00 0.00 C ATOM 40 CG LYS A 3 7.460 9.114 -3.355 1.00 0.00 C ATOM 41 CD LYS A 3 7.757 9.339 -1.876 1.00 0.00 C ATOM 42 CE LYS A 3 8.246 8.071 -1.189 1.00 0.00 C ATOM 43 NZ LYS A 3 9.539 7.591 -1.740 1.00 0.00 N ATOM 0 H LYS A 3 7.243 11.591 -6.265 1.00 0.00 H new ATOM 0 HA LYS A 3 6.085 8.959 -5.550 1.00 0.00 H new ATOM 0 HB2 LYS A 3 7.154 11.175 -3.846 1.00 0.00 H new ATOM 0 HB3 LYS A 3 5.709 10.344 -3.306 1.00 0.00 H new ATOM 0 HG2 LYS A 3 6.947 8.161 -3.485 1.00 0.00 H new ATOM 0 HG3 LYS A 3 8.395 9.051 -3.911 1.00 0.00 H new ATOM 0 HD2 LYS A 3 8.510 10.120 -1.773 1.00 0.00 H new ATOM 0 HD3 LYS A 3 6.857 9.697 -1.377 1.00 0.00 H new ATOM 0 HE2 LYS A 3 8.357 8.259 -0.121 1.00 0.00 H new ATOM 0 HE3 LYS A 3 7.495 7.289 -1.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 9.947 6.880 -1.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 9.381 7.164 -2.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 10.196 8.392 -1.831 1.00 0.00 H new ATOM 57 N LYS A 4 4.817 11.531 -6.678 1.00 0.00 N ATOM 58 CA LYS A 4 3.642 12.310 -7.026 1.00 0.00 C ATOM 59 C LYS A 4 3.036 11.790 -8.327 1.00 0.00 C ATOM 60 O LYS A 4 3.758 11.339 -9.211 1.00 0.00 O ATOM 61 CB LYS A 4 4.026 13.786 -7.182 1.00 0.00 C ATOM 62 CG LYS A 4 2.847 14.715 -7.436 1.00 0.00 C ATOM 63 CD LYS A 4 2.221 15.213 -6.143 1.00 0.00 C ATOM 64 CE LYS A 4 3.181 16.112 -5.377 1.00 0.00 C ATOM 65 NZ LYS A 4 2.506 16.839 -4.271 1.00 0.00 N ATOM 0 H LYS A 4 5.609 11.668 -7.306 1.00 0.00 H new ATOM 0 HA LYS A 4 2.904 12.215 -6.230 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.543 14.112 -6.280 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.733 13.881 -8.006 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.179 15.567 -8.029 1.00 0.00 H new ATOM 0 HG3 LYS A 4 2.094 14.191 -8.024 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.306 15.761 -6.367 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.940 14.363 -5.521 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.994 15.510 -4.971 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.628 16.831 -6.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 3.197 17.439 -3.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.746 17.434 -4.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.101 16.154 -3.601 1.00 0.00 H new ATOM 79 N PHE A 5 1.710 11.824 -8.408 1.00 0.00 N ATOM 80 CA PHE A 5 0.961 11.484 -9.623 1.00 0.00 C ATOM 81 C PHE A 5 0.914 9.976 -9.871 1.00 0.00 C ATOM 82 O PHE A 5 -0.157 9.418 -10.100 1.00 0.00 O ATOM 83 CB PHE A 5 1.528 12.208 -10.853 1.00 0.00 C ATOM 84 CG PHE A 5 0.685 12.047 -12.090 1.00 0.00 C ATOM 85 CD1 PHE A 5 -0.383 12.898 -12.327 1.00 0.00 C ATOM 86 CD2 PHE A 5 0.959 11.049 -13.012 1.00 0.00 C ATOM 87 CE1 PHE A 5 -1.161 12.756 -13.459 1.00 0.00 C ATOM 88 CE2 PHE A 5 0.182 10.903 -14.145 1.00 0.00 C ATOM 89 CZ PHE A 5 -0.879 11.757 -14.368 1.00 0.00 C ATOM 0 H PHE A 5 1.114 12.091 -7.625 1.00 0.00 H new ATOM 0 HA PHE A 5 -0.061 11.825 -9.460 1.00 0.00 H new ATOM 0 HB2 PHE A 5 1.626 13.270 -10.626 1.00 0.00 H new ATOM 0 HB3 PHE A 5 2.531 11.832 -11.055 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -0.609 13.681 -11.618 1.00 0.00 H new ATOM 0 HD2 PHE A 5 1.789 10.378 -12.843 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -1.990 13.426 -13.633 1.00 0.00 H new ATOM 0 HE2 PHE A 5 0.405 10.121 -14.856 1.00 0.00 H new ATOM 0 HZ PHE A 5 -1.488 11.643 -15.253 1.00 0.00 H new ATOM 99 N LEU A 6 2.056 9.313 -9.816 1.00 0.00 N ATOM 100 CA LEU A 6 2.106 7.887 -10.122 1.00 0.00 C ATOM 101 C LEU A 6 1.498 7.065 -8.992 1.00 0.00 C ATOM 102 O LEU A 6 0.905 6.015 -9.229 1.00 0.00 O ATOM 103 CB LEU A 6 3.543 7.416 -10.411 1.00 0.00 C ATOM 104 CG LEU A 6 4.445 7.182 -9.197 1.00 0.00 C ATOM 105 CD1 LEU A 6 5.683 6.400 -9.601 1.00 0.00 C ATOM 106 CD2 LEU A 6 4.848 8.497 -8.556 1.00 0.00 C ATOM 0 H LEU A 6 2.953 9.729 -9.566 1.00 0.00 H new ATOM 0 HA LEU A 6 1.515 7.731 -11.024 1.00 0.00 H new ATOM 0 HB2 LEU A 6 3.489 6.487 -10.979 1.00 0.00 H new ATOM 0 HB3 LEU A 6 4.021 8.156 -11.053 1.00 0.00 H new ATOM 0 HG LEU A 6 3.881 6.603 -8.466 1.00 0.00 H new ATOM 0 HD11 LEU A 6 6.315 6.242 -8.727 1.00 0.00 H new ATOM 0 HD12 LEU A 6 5.386 5.436 -10.014 1.00 0.00 H new ATOM 0 HD13 LEU A 6 6.238 6.961 -10.353 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.488 8.301 -7.696 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.390 9.104 -9.281 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.956 9.031 -8.230 1.00 0.00 H new ATOM 118 N ASP A 7 1.615 7.572 -7.775 1.00 0.00 N ATOM 119 CA ASP A 7 1.171 6.836 -6.595 1.00 0.00 C ATOM 120 C ASP A 7 0.045 7.581 -5.877 1.00 0.00 C ATOM 121 O ASP A 7 -0.162 7.426 -4.678 1.00 0.00 O ATOM 122 CB ASP A 7 2.356 6.604 -5.648 1.00 0.00 C ATOM 123 CG ASP A 7 2.047 5.596 -4.551 1.00 0.00 C ATOM 124 OD1 ASP A 7 1.339 4.606 -4.829 1.00 0.00 O ATOM 125 OD2 ASP A 7 2.518 5.793 -3.408 1.00 0.00 O ATOM 0 H ASP A 7 2.013 8.490 -7.575 1.00 0.00 H new ATOM 0 HA ASP A 7 0.780 5.870 -6.915 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.213 6.255 -6.225 1.00 0.00 H new ATOM 0 HB3 ASP A 7 2.643 7.552 -5.193 1.00 0.00 H new ATOM 130 N ILE A 8 -0.708 8.384 -6.623 1.00 0.00 N ATOM 131 CA ILE A 8 -1.870 9.071 -6.056 1.00 0.00 C ATOM 132 C ILE A 8 -3.094 8.166 -6.118 1.00 0.00 C ATOM 133 O ILE A 8 -4.234 8.617 -5.979 1.00 0.00 O ATOM 134 CB ILE A 8 -2.189 10.396 -6.782 1.00 0.00 C ATOM 135 CG1 ILE A 8 -2.484 10.149 -8.266 1.00 0.00 C ATOM 136 CG2 ILE A 8 -1.041 11.378 -6.614 1.00 0.00 C ATOM 137 CD1 ILE A 8 -2.931 11.388 -9.018 1.00 0.00 C ATOM 0 H ILE A 8 -0.540 8.575 -7.611 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.621 9.307 -5.022 1.00 0.00 H new ATOM 0 HB ILE A 8 -3.082 10.829 -6.332 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.589 9.750 -8.743 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.258 9.386 -8.351 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -1.279 12.308 -7.131 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -0.888 11.581 -5.554 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -0.132 10.951 -7.037 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -3.120 11.132 -10.061 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.844 11.777 -8.568 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.150 12.146 -8.967 1.00 0.00 H new ATOM 149 N LEU A 9 -2.839 6.884 -6.318 1.00 0.00 N ATOM 150 CA LEU A 9 -3.892 5.898 -6.441 1.00 0.00 C ATOM 151 C LEU A 9 -4.543 5.652 -5.092 1.00 0.00 C ATOM 152 O LEU A 9 -3.865 5.571 -4.065 1.00 0.00 O ATOM 153 CB LEU A 9 -3.326 4.586 -6.990 1.00 0.00 C ATOM 154 CG LEU A 9 -2.563 4.705 -8.311 1.00 0.00 C ATOM 155 CD1 LEU A 9 -2.018 3.351 -8.738 1.00 0.00 C ATOM 156 CD2 LEU A 9 -3.453 5.290 -9.395 1.00 0.00 C ATOM 0 H LEU A 9 -1.897 6.501 -6.399 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.644 6.278 -7.133 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.660 4.156 -6.242 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.148 3.884 -7.126 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.722 5.381 -8.159 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.479 3.456 -9.679 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.341 2.973 -7.972 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.844 2.651 -8.869 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.891 5.366 -10.326 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.317 4.643 -9.545 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.790 6.282 -9.093 1.00 0.00 H new ATOM 168 N VAL A 10 -5.856 5.557 -5.093 1.00 0.00 N ATOM 169 CA VAL A 10 -6.591 5.243 -3.882 1.00 0.00 C ATOM 170 C VAL A 10 -7.259 3.886 -4.022 1.00 0.00 C ATOM 171 O VAL A 10 -7.496 3.416 -5.135 1.00 0.00 O ATOM 172 CB VAL A 10 -7.659 6.312 -3.555 1.00 0.00 C ATOM 173 CG1 VAL A 10 -7.006 7.655 -3.267 1.00 0.00 C ATOM 174 CG2 VAL A 10 -8.669 6.440 -4.685 1.00 0.00 C ATOM 0 H VAL A 10 -6.439 5.693 -5.919 1.00 0.00 H new ATOM 0 HA VAL A 10 -5.875 5.226 -3.061 1.00 0.00 H new ATOM 0 HB VAL A 10 -8.192 5.990 -2.661 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -7.776 8.392 -3.039 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -6.334 7.557 -2.415 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -6.440 7.979 -4.140 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -9.408 7.199 -4.428 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.155 6.730 -5.601 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -9.169 5.483 -4.836 1.00 0.00 H new ATOM 184 N CYS A 11 -7.537 3.246 -2.902 1.00 0.00 N ATOM 185 CA CYS A 11 -8.222 1.966 -2.924 1.00 0.00 C ATOM 186 C CYS A 11 -9.725 2.182 -3.109 1.00 0.00 C ATOM 187 O CYS A 11 -10.292 3.120 -2.546 1.00 0.00 O ATOM 188 CB CYS A 11 -7.924 1.192 -1.635 1.00 0.00 C ATOM 189 SG CYS A 11 -7.932 2.214 -0.146 1.00 0.00 S ATOM 0 H CYS A 11 -7.301 3.588 -1.970 1.00 0.00 H new ATOM 0 HA CYS A 11 -7.860 1.374 -3.765 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -8.661 0.397 -1.522 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -6.950 0.712 -1.729 1.00 0.00 H new ATOM 0 HG CYS A 11 -7.191 3.265 -0.337 1.00 0.00 H new ATOM 195 N PRO A 12 -10.392 1.309 -3.889 1.00 0.00 N ATOM 196 CA PRO A 12 -11.806 1.469 -4.236 1.00 0.00 C ATOM 197 C PRO A 12 -12.755 0.921 -3.172 1.00 0.00 C ATOM 198 O PRO A 12 -13.971 1.094 -3.262 1.00 0.00 O ATOM 199 CB PRO A 12 -11.951 0.668 -5.544 1.00 0.00 C ATOM 200 CG PRO A 12 -10.613 0.044 -5.812 1.00 0.00 C ATOM 201 CD PRO A 12 -9.830 0.120 -4.532 1.00 0.00 C ATOM 0 HA PRO A 12 -12.072 2.522 -4.326 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -12.723 -0.096 -5.448 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -12.247 1.319 -6.367 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -10.727 -0.991 -6.133 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -10.095 0.571 -6.613 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -9.963 -0.773 -3.921 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -8.761 0.225 -4.716 1.00 0.00 H new ATOM 209 N VAL A 13 -12.200 0.265 -2.164 1.00 0.00 N ATOM 210 CA VAL A 13 -13.013 -0.334 -1.115 1.00 0.00 C ATOM 211 C VAL A 13 -13.020 0.545 0.132 1.00 0.00 C ATOM 212 O VAL A 13 -14.044 1.121 0.492 1.00 0.00 O ATOM 213 CB VAL A 13 -12.508 -1.747 -0.743 1.00 0.00 C ATOM 214 CG1 VAL A 13 -13.405 -2.379 0.310 1.00 0.00 C ATOM 215 CG2 VAL A 13 -12.426 -2.632 -1.979 1.00 0.00 C ATOM 0 H VAL A 13 -11.195 0.134 -2.050 1.00 0.00 H new ATOM 0 HA VAL A 13 -14.028 -0.419 -1.504 1.00 0.00 H new ATOM 0 HB VAL A 13 -11.506 -1.651 -0.325 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -13.032 -3.373 0.557 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -13.407 -1.759 1.206 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -14.421 -2.459 -0.078 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -12.068 -3.622 -1.695 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -13.414 -2.719 -2.430 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -11.736 -2.190 -2.698 1.00 0.00 H new ATOM 225 N THR A 14 -11.865 0.660 0.768 1.00 0.00 N ATOM 226 CA THR A 14 -11.743 1.412 2.007 1.00 0.00 C ATOM 227 C THR A 14 -11.609 2.913 1.755 1.00 0.00 C ATOM 228 O THR A 14 -11.665 3.712 2.694 1.00 0.00 O ATOM 229 CB THR A 14 -10.541 0.902 2.816 1.00 0.00 C ATOM 230 OG1 THR A 14 -9.463 0.594 1.923 1.00 0.00 O ATOM 231 CG2 THR A 14 -10.911 -0.339 3.616 1.00 0.00 C ATOM 0 H THR A 14 -10.994 0.240 0.444 1.00 0.00 H new ATOM 0 HA THR A 14 -12.659 1.257 2.578 1.00 0.00 H new ATOM 0 HB THR A 14 -10.235 1.682 3.513 1.00 0.00 H new ATOM 0 HG1 THR A 14 -9.310 1.352 1.321 1.00 0.00 H new ATOM 0 HG21 THR A 14 -10.043 -0.680 4.180 1.00 0.00 H new ATOM 0 HG22 THR A 14 -11.721 -0.099 4.305 1.00 0.00 H new ATOM 0 HG23 THR A 14 -11.235 -1.127 2.936 1.00 0.00 H new ATOM 239 N LYS A 15 -11.434 3.279 0.483 1.00 0.00 N ATOM 240 CA LYS A 15 -11.355 4.677 0.057 1.00 0.00 C ATOM 241 C LYS A 15 -10.260 5.441 0.793 1.00 0.00 C ATOM 242 O LYS A 15 -10.514 6.135 1.778 1.00 0.00 O ATOM 243 CB LYS A 15 -12.707 5.377 0.220 1.00 0.00 C ATOM 244 CG LYS A 15 -13.768 4.875 -0.746 1.00 0.00 C ATOM 245 CD LYS A 15 -15.107 5.549 -0.505 1.00 0.00 C ATOM 246 CE LYS A 15 -16.127 5.132 -1.549 1.00 0.00 C ATOM 247 NZ LYS A 15 -17.465 5.725 -1.294 1.00 0.00 N ATOM 0 H LYS A 15 -11.343 2.611 -0.283 1.00 0.00 H new ATOM 0 HA LYS A 15 -11.092 4.673 -1.001 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -13.060 5.235 1.241 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -12.572 6.449 0.075 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -13.445 5.061 -1.770 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -13.878 3.796 -0.638 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -15.473 5.291 0.489 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -14.982 6.632 -0.527 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.779 5.436 -2.536 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -16.209 4.045 -1.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -18.129 5.413 -2.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -17.810 5.415 -0.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -17.393 6.762 -1.309 1.00 0.00 H new ATOM 261 N GLY A 16 -9.041 5.291 0.309 1.00 0.00 N ATOM 262 CA GLY A 16 -7.915 5.983 0.894 1.00 0.00 C ATOM 263 C GLY A 16 -6.657 5.785 0.079 1.00 0.00 C ATOM 264 O GLY A 16 -6.589 4.856 -0.730 1.00 0.00 O ATOM 0 H GLY A 16 -8.809 4.696 -0.487 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.139 7.047 0.967 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.752 5.622 1.909 1.00 0.00 H new ATOM 268 N ARG A 17 -5.679 6.662 0.275 1.00 0.00 N ATOM 269 CA ARG A 17 -4.424 6.604 -0.435 1.00 0.00 C ATOM 270 C ARG A 17 -3.734 5.263 -0.254 1.00 0.00 C ATOM 271 O ARG A 17 -3.898 4.585 0.765 1.00 0.00 O ATOM 272 CB ARG A 17 -3.514 7.708 0.079 1.00 0.00 C ATOM 273 CG ARG A 17 -2.499 8.160 -0.937 1.00 0.00 C ATOM 274 CD ARG A 17 -1.125 8.374 -0.315 1.00 0.00 C ATOM 275 NE ARG A 17 -0.188 9.019 -1.237 1.00 0.00 N ATOM 276 CZ ARG A 17 0.797 8.379 -1.875 1.00 0.00 C ATOM 277 NH1 ARG A 17 0.964 7.077 -1.724 1.00 0.00 N ATOM 278 NH2 ARG A 17 1.631 9.051 -2.656 1.00 0.00 N ATOM 0 H ARG A 17 -5.743 7.435 0.937 1.00 0.00 H new ATOM 0 HA ARG A 17 -4.629 6.734 -1.498 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -4.122 8.561 0.380 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -2.995 7.357 0.971 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -2.426 7.417 -1.731 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -2.837 9.088 -1.399 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.227 8.985 0.582 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -0.718 7.413 -0.001 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.294 10.020 -1.403 1.00 0.00 H new ATOM 0 HH11 ARG A 17 0.338 6.550 -1.116 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.719 6.599 -2.216 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.522 10.059 -2.771 1.00 0.00 H new ATOM 0 HH22 ARG A 17 2.382 8.561 -3.142 1.00 0.00 H new ATOM 292 N LEU A 18 -2.960 4.904 -1.250 1.00 0.00 N ATOM 293 CA LEU A 18 -2.146 3.705 -1.207 1.00 0.00 C ATOM 294 C LEU A 18 -0.712 4.087 -0.888 1.00 0.00 C ATOM 295 O LEU A 18 -0.441 5.231 -0.537 1.00 0.00 O ATOM 296 CB LEU A 18 -2.223 2.968 -2.545 1.00 0.00 C ATOM 297 CG LEU A 18 -3.621 2.487 -2.932 1.00 0.00 C ATOM 298 CD1 LEU A 18 -3.599 1.819 -4.297 1.00 0.00 C ATOM 299 CD2 LEU A 18 -4.165 1.538 -1.877 1.00 0.00 C ATOM 0 H LEU A 18 -2.874 5.434 -2.117 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.519 3.037 -0.430 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.851 3.628 -3.329 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.555 2.107 -2.509 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.281 3.353 -2.989 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.604 1.484 -4.554 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.252 2.531 -5.045 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.926 0.962 -4.272 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.161 1.204 -2.167 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.505 0.675 -1.788 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.220 2.053 -0.918 1.00 0.00 H new ATOM 311 N GLU A 19 0.182 3.121 -0.971 1.00 0.00 N ATOM 312 CA GLU A 19 1.604 3.343 -0.764 1.00 0.00 C ATOM 313 C GLU A 19 2.398 2.359 -1.607 1.00 0.00 C ATOM 314 O GLU A 19 2.442 1.161 -1.298 1.00 0.00 O ATOM 315 CB GLU A 19 1.965 3.169 0.714 1.00 0.00 C ATOM 316 CG GLU A 19 1.780 4.419 1.555 1.00 0.00 C ATOM 317 CD GLU A 19 2.884 5.430 1.328 1.00 0.00 C ATOM 318 OE1 GLU A 19 4.069 5.064 1.503 1.00 0.00 O ATOM 319 OE2 GLU A 19 2.581 6.586 0.971 1.00 0.00 O ATOM 0 H GLU A 19 -0.057 2.153 -1.185 1.00 0.00 H new ATOM 0 HA GLU A 19 1.849 4.362 -1.063 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.354 2.370 1.133 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.004 2.847 0.786 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.818 4.875 1.319 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.752 4.145 2.610 1.00 0.00 H new ATOM 326 N TYR A 20 3.003 2.846 -2.679 1.00 0.00 N ATOM 327 CA TYR A 20 3.782 1.987 -3.556 1.00 0.00 C ATOM 328 C TYR A 20 5.150 1.706 -2.948 1.00 0.00 C ATOM 329 O TYR A 20 6.041 2.554 -2.957 1.00 0.00 O ATOM 330 CB TYR A 20 3.937 2.617 -4.944 1.00 0.00 C ATOM 331 CG TYR A 20 4.622 1.714 -5.952 1.00 0.00 C ATOM 332 CD1 TYR A 20 3.948 0.640 -6.520 1.00 0.00 C ATOM 333 CD2 TYR A 20 5.941 1.935 -6.329 1.00 0.00 C ATOM 334 CE1 TYR A 20 4.568 -0.189 -7.436 1.00 0.00 C ATOM 335 CE2 TYR A 20 6.569 1.111 -7.246 1.00 0.00 C ATOM 336 CZ TYR A 20 5.878 0.049 -7.797 1.00 0.00 C ATOM 337 OH TYR A 20 6.500 -0.778 -8.709 1.00 0.00 O ATOM 0 H TYR A 20 2.970 3.826 -2.961 1.00 0.00 H new ATOM 0 HA TYR A 20 3.247 1.044 -3.667 1.00 0.00 H new ATOM 0 HB2 TYR A 20 2.951 2.887 -5.323 1.00 0.00 H new ATOM 0 HB3 TYR A 20 4.507 3.541 -4.852 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.922 0.450 -6.241 1.00 0.00 H new ATOM 0 HD2 TYR A 20 6.485 2.763 -5.899 1.00 0.00 H new ATOM 0 HE1 TYR A 20 4.029 -1.020 -7.867 1.00 0.00 H new ATOM 0 HE2 TYR A 20 7.594 1.297 -7.530 1.00 0.00 H new ATOM 0 HH TYR A 20 7.420 -0.472 -8.854 1.00 0.00 H new ATOM 347 N HIS A 21 5.300 0.514 -2.394 1.00 0.00 N ATOM 348 CA HIS A 21 6.579 0.077 -1.856 1.00 0.00 C ATOM 349 C HIS A 21 7.013 -1.191 -2.573 1.00 0.00 C ATOM 350 O HIS A 21 6.393 -2.245 -2.429 1.00 0.00 O ATOM 351 CB HIS A 21 6.494 -0.146 -0.340 1.00 0.00 C ATOM 352 CG HIS A 21 6.256 1.116 0.435 1.00 0.00 C ATOM 353 ND1 HIS A 21 7.270 1.871 0.983 1.00 0.00 N ATOM 354 CD2 HIS A 21 5.108 1.762 0.740 1.00 0.00 C ATOM 355 CE1 HIS A 21 6.755 2.922 1.591 1.00 0.00 C ATOM 356 NE2 HIS A 21 5.445 2.883 1.458 1.00 0.00 N ATOM 0 H HIS A 21 4.549 -0.171 -2.305 1.00 0.00 H new ATOM 0 HA HIS A 21 7.323 0.856 -2.024 1.00 0.00 H new ATOM 0 HB2 HIS A 21 5.690 -0.851 -0.128 1.00 0.00 H new ATOM 0 HB3 HIS A 21 7.420 -0.606 0.005 1.00 0.00 H new ATOM 0 HD2 HIS A 21 4.109 1.453 0.469 1.00 0.00 H new ATOM 0 HE1 HIS A 21 7.314 3.686 2.111 1.00 0.00 H new ATOM 0 HE2 HIS A 21 4.789 3.572 1.827 1.00 0.00 H new ATOM 365 N GLN A 22 8.071 -1.080 -3.361 1.00 0.00 N ATOM 366 CA GLN A 22 8.487 -2.162 -4.235 1.00 0.00 C ATOM 367 C GLN A 22 9.324 -3.190 -3.477 1.00 0.00 C ATOM 368 O GLN A 22 10.542 -3.259 -3.637 1.00 0.00 O ATOM 369 CB GLN A 22 9.267 -1.597 -5.425 1.00 0.00 C ATOM 370 CG GLN A 22 9.438 -2.572 -6.577 1.00 0.00 C ATOM 371 CD GLN A 22 10.119 -1.940 -7.773 1.00 0.00 C ATOM 372 OE1 GLN A 22 10.957 -1.052 -7.632 1.00 0.00 O ATOM 373 NE2 GLN A 22 9.746 -2.380 -8.963 1.00 0.00 N ATOM 0 H GLN A 22 8.658 -0.248 -3.412 1.00 0.00 H new ATOM 0 HA GLN A 22 7.597 -2.671 -4.606 1.00 0.00 H new ATOM 0 HB2 GLN A 22 8.756 -0.706 -5.790 1.00 0.00 H new ATOM 0 HB3 GLN A 22 10.252 -1.281 -5.082 1.00 0.00 H new ATOM 0 HG2 GLN A 22 10.022 -3.429 -6.241 1.00 0.00 H new ATOM 0 HG3 GLN A 22 8.461 -2.951 -6.877 1.00 0.00 H new ATOM 0 HE21 GLN A 22 9.047 -3.119 -9.037 1.00 0.00 H new ATOM 0 HE22 GLN A 22 10.157 -1.980 -9.806 1.00 0.00 H new ATOM 382 N ASP A 23 8.664 -3.960 -2.624 1.00 0.00 N ATOM 383 CA ASP A 23 9.323 -5.039 -1.902 1.00 0.00 C ATOM 384 C ASP A 23 8.938 -6.375 -2.530 1.00 0.00 C ATOM 385 O ASP A 23 9.749 -7.004 -3.208 1.00 0.00 O ATOM 386 CB ASP A 23 8.940 -5.004 -0.418 1.00 0.00 C ATOM 387 CG ASP A 23 9.770 -5.943 0.438 1.00 0.00 C ATOM 388 OD1 ASP A 23 9.509 -7.164 0.428 1.00 0.00 O ATOM 389 OD2 ASP A 23 10.684 -5.462 1.138 1.00 0.00 O ATOM 0 H ASP A 23 7.671 -3.857 -2.415 1.00 0.00 H new ATOM 0 HA ASP A 23 10.403 -4.913 -1.970 1.00 0.00 H new ATOM 0 HB2 ASP A 23 9.054 -3.986 -0.044 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.887 -5.265 -0.315 1.00 0.00 H new ATOM 394 N LYS A 24 7.693 -6.789 -2.323 1.00 0.00 N ATOM 395 CA LYS A 24 7.164 -8.001 -2.940 1.00 0.00 C ATOM 396 C LYS A 24 6.106 -7.636 -3.978 1.00 0.00 C ATOM 397 O LYS A 24 5.208 -8.429 -4.262 1.00 0.00 O ATOM 398 CB LYS A 24 6.531 -8.899 -1.875 1.00 0.00 C ATOM 399 CG LYS A 24 7.396 -9.090 -0.645 1.00 0.00 C ATOM 400 CD LYS A 24 6.594 -9.662 0.512 1.00 0.00 C ATOM 401 CE LYS A 24 7.075 -9.101 1.840 1.00 0.00 C ATOM 402 NZ LYS A 24 7.058 -7.611 1.837 1.00 0.00 N ATOM 0 H LYS A 24 7.026 -6.299 -1.727 1.00 0.00 H new ATOM 0 HA LYS A 24 7.984 -8.533 -3.423 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.575 -8.471 -1.573 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.319 -9.874 -2.314 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.225 -9.758 -0.881 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.830 -8.134 -0.352 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.538 -9.430 0.377 1.00 0.00 H new ATOM 0 HD3 LYS A 24 6.683 -10.748 0.519 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.441 -9.472 2.645 1.00 0.00 H new ATOM 0 HE3 LYS A 24 8.086 -9.455 2.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.125 -7.261 2.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 7.865 -7.256 1.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.172 -7.275 1.409 1.00 0.00 H new ATOM 416 N GLN A 25 6.260 -6.451 -4.573 1.00 0.00 N ATOM 417 CA GLN A 25 5.240 -5.864 -5.431 1.00 0.00 C ATOM 418 C GLN A 25 3.915 -5.748 -4.679 1.00 0.00 C ATOM 419 O GLN A 25 2.961 -6.487 -4.936 1.00 0.00 O ATOM 420 CB GLN A 25 5.084 -6.677 -6.718 1.00 0.00 C ATOM 421 CG GLN A 25 6.235 -6.512 -7.709 1.00 0.00 C ATOM 422 CD GLN A 25 7.611 -6.777 -7.124 1.00 0.00 C ATOM 423 OE1 GLN A 25 8.083 -7.915 -7.101 1.00 0.00 O ATOM 424 NE2 GLN A 25 8.282 -5.724 -6.689 1.00 0.00 N ATOM 0 H GLN A 25 7.096 -5.875 -4.471 1.00 0.00 H new ATOM 0 HA GLN A 25 5.555 -4.859 -5.712 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.992 -7.732 -6.459 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.154 -6.386 -7.207 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.075 -7.188 -8.549 1.00 0.00 H new ATOM 0 HG3 GLN A 25 6.212 -5.498 -8.107 1.00 0.00 H new ATOM 0 HE21 GLN A 25 7.856 -4.798 -6.725 1.00 0.00 H new ATOM 0 HE22 GLN A 25 9.225 -5.838 -6.318 1.00 0.00 H new ATOM 433 N GLU A 26 3.879 -4.818 -3.732 1.00 0.00 N ATOM 434 CA GLU A 26 2.750 -4.666 -2.832 1.00 0.00 C ATOM 435 C GLU A 26 2.222 -3.236 -2.850 1.00 0.00 C ATOM 436 O GLU A 26 2.982 -2.285 -3.059 1.00 0.00 O ATOM 437 CB GLU A 26 3.199 -4.995 -1.411 1.00 0.00 C ATOM 438 CG GLU A 26 3.845 -6.357 -1.263 1.00 0.00 C ATOM 439 CD GLU A 26 4.868 -6.387 -0.148 1.00 0.00 C ATOM 440 OE1 GLU A 26 5.996 -5.901 -0.366 1.00 0.00 O ATOM 441 OE2 GLU A 26 4.562 -6.906 0.945 1.00 0.00 O ATOM 0 H GLU A 26 4.633 -4.150 -3.569 1.00 0.00 H new ATOM 0 HA GLU A 26 1.958 -5.340 -3.159 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.904 -4.233 -1.079 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.336 -4.941 -0.748 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.075 -7.103 -1.067 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.325 -6.633 -2.202 1.00 0.00 H new ATOM 448 N LEU A 27 0.925 -3.088 -2.628 1.00 0.00 N ATOM 449 CA LEU A 27 0.344 -1.780 -2.383 1.00 0.00 C ATOM 450 C LEU A 27 -0.117 -1.699 -0.935 1.00 0.00 C ATOM 451 O LEU A 27 -0.946 -2.495 -0.487 1.00 0.00 O ATOM 452 CB LEU A 27 -0.819 -1.491 -3.336 1.00 0.00 C ATOM 453 CG LEU A 27 -0.415 -1.177 -4.779 1.00 0.00 C ATOM 454 CD1 LEU A 27 -1.644 -0.865 -5.617 1.00 0.00 C ATOM 455 CD2 LEU A 27 0.561 -0.012 -4.818 1.00 0.00 C ATOM 0 H LEU A 27 0.256 -3.858 -2.613 1.00 0.00 H new ATOM 0 HA LEU A 27 1.106 -1.022 -2.567 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.486 -2.353 -3.342 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.389 -0.649 -2.944 1.00 0.00 H new ATOM 0 HG LEU A 27 0.078 -2.055 -5.197 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.340 -0.644 -6.640 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.314 -1.725 -5.615 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.161 -0.002 -5.197 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.837 0.197 -5.852 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.092 0.870 -4.382 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.455 -0.267 -4.248 1.00 0.00 H new ATOM 467 N TRP A 28 0.434 -0.741 -0.206 1.00 0.00 N ATOM 468 CA TRP A 28 0.190 -0.628 1.224 1.00 0.00 C ATOM 469 C TRP A 28 -0.932 0.365 1.485 1.00 0.00 C ATOM 470 O TRP A 28 -0.814 1.543 1.162 1.00 0.00 O ATOM 471 CB TRP A 28 1.469 -0.186 1.948 1.00 0.00 C ATOM 472 CG TRP A 28 2.580 -1.200 1.902 1.00 0.00 C ATOM 473 CD1 TRP A 28 3.054 -1.859 0.800 1.00 0.00 C ATOM 474 CD2 TRP A 28 3.370 -1.653 3.008 1.00 0.00 C ATOM 475 NE1 TRP A 28 4.078 -2.702 1.159 1.00 0.00 N ATOM 476 CE2 TRP A 28 4.291 -2.594 2.507 1.00 0.00 C ATOM 477 CE3 TRP A 28 3.385 -1.358 4.373 1.00 0.00 C ATOM 478 CZ2 TRP A 28 5.217 -3.240 3.324 1.00 0.00 C ATOM 479 CZ3 TRP A 28 4.304 -1.998 5.183 1.00 0.00 C ATOM 480 CH2 TRP A 28 5.209 -2.929 4.657 1.00 0.00 C ATOM 0 H TRP A 28 1.057 -0.027 -0.584 1.00 0.00 H new ATOM 0 HA TRP A 28 -0.108 -1.604 1.608 1.00 0.00 H new ATOM 0 HB2 TRP A 28 1.822 0.745 1.504 1.00 0.00 H new ATOM 0 HB3 TRP A 28 1.229 0.028 2.990 1.00 0.00 H new ATOM 0 HD1 TRP A 28 2.678 -1.735 -0.205 1.00 0.00 H new ATOM 0 HE1 TRP A 28 4.596 -3.310 0.524 1.00 0.00 H new ATOM 0 HE3 TRP A 28 2.691 -0.642 4.788 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 5.915 -3.959 2.921 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 4.325 -1.776 6.240 1.00 0.00 H new ATOM 0 HH2 TRP A 28 5.915 -3.411 5.317 1.00 0.00 H new ATOM 491 N SER A 29 -2.021 -0.111 2.056 1.00 0.00 N ATOM 492 CA SER A 29 -3.160 0.743 2.317 1.00 0.00 C ATOM 493 C SER A 29 -3.367 0.918 3.814 1.00 0.00 C ATOM 494 O SER A 29 -3.788 -0.013 4.503 1.00 0.00 O ATOM 495 CB SER A 29 -4.421 0.164 1.672 1.00 0.00 C ATOM 496 OG SER A 29 -5.537 1.019 1.867 1.00 0.00 O ATOM 0 H SER A 29 -2.140 -1.081 2.347 1.00 0.00 H new ATOM 0 HA SER A 29 -2.961 1.721 1.879 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.253 0.019 0.605 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.633 -0.817 2.098 1.00 0.00 H new ATOM 0 HG SER A 29 -6.010 1.138 1.017 1.00 0.00 H new ATOM 502 N ARG A 30 -3.056 2.109 4.313 1.00 0.00 N ATOM 503 CA ARG A 30 -3.296 2.438 5.713 1.00 0.00 C ATOM 504 C ARG A 30 -4.783 2.327 6.026 1.00 0.00 C ATOM 505 O ARG A 30 -5.172 1.842 7.084 1.00 0.00 O ATOM 506 CB ARG A 30 -2.817 3.859 6.028 1.00 0.00 C ATOM 507 CG ARG A 30 -3.097 4.280 7.463 1.00 0.00 C ATOM 508 CD ARG A 30 -3.110 5.792 7.620 1.00 0.00 C ATOM 509 NE ARG A 30 -1.788 6.396 7.459 1.00 0.00 N ATOM 510 CZ ARG A 30 -1.557 7.704 7.580 1.00 0.00 C ATOM 511 NH1 ARG A 30 -2.564 8.540 7.803 1.00 0.00 N ATOM 512 NH2 ARG A 30 -0.325 8.177 7.478 1.00 0.00 N ATOM 0 H ARG A 30 -2.637 2.863 3.769 1.00 0.00 H new ATOM 0 HA ARG A 30 -2.737 1.733 6.329 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -1.746 3.925 5.839 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.304 4.559 5.349 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -4.058 3.874 7.779 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -2.339 3.854 8.120 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.791 6.222 6.886 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -3.502 6.046 8.605 1.00 0.00 H new ATOM 0 HE ARG A 30 -1.001 5.785 7.243 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -3.516 8.182 7.882 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -2.386 9.540 7.895 1.00 0.00 H new ATOM 0 HH21 ARG A 30 0.453 7.540 7.306 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.154 9.178 7.571 1.00 0.00 H new ATOM 526 N GLN A 31 -5.603 2.759 5.080 1.00 0.00 N ATOM 527 CA GLN A 31 -7.036 2.798 5.260 1.00 0.00 C ATOM 528 C GLN A 31 -7.648 1.401 5.270 1.00 0.00 C ATOM 529 O GLN A 31 -8.786 1.225 5.702 1.00 0.00 O ATOM 530 CB GLN A 31 -7.660 3.637 4.157 1.00 0.00 C ATOM 531 CG GLN A 31 -7.223 5.095 4.170 1.00 0.00 C ATOM 532 CD GLN A 31 -7.714 5.863 5.386 1.00 0.00 C ATOM 533 OE1 GLN A 31 -7.907 5.304 6.466 1.00 0.00 O ATOM 534 NE2 GLN A 31 -7.920 7.158 5.217 1.00 0.00 N ATOM 0 H GLN A 31 -5.288 3.091 4.168 1.00 0.00 H new ATOM 0 HA GLN A 31 -7.243 3.248 6.231 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -7.404 3.200 3.192 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.745 3.592 4.249 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.134 5.140 4.136 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -7.590 5.584 3.268 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.749 7.587 4.308 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -8.250 7.728 5.996 1.00 0.00 H new ATOM 543 N ALA A 32 -6.903 0.411 4.788 1.00 0.00 N ATOM 544 CA ALA A 32 -7.374 -0.963 4.808 1.00 0.00 C ATOM 545 C ALA A 32 -6.667 -1.731 5.911 1.00 0.00 C ATOM 546 O ALA A 32 -7.146 -2.771 6.363 1.00 0.00 O ATOM 547 CB ALA A 32 -7.146 -1.629 3.457 1.00 0.00 C ATOM 0 H ALA A 32 -5.976 0.537 4.382 1.00 0.00 H new ATOM 0 HA ALA A 32 -8.446 -0.966 5.007 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -7.506 -2.657 3.493 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -7.688 -1.082 2.686 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.081 -1.625 3.224 1.00 0.00 H new ATOM 553 N LYS A 33 -5.523 -1.187 6.339 1.00 0.00 N ATOM 554 CA LYS A 33 -4.680 -1.807 7.357 1.00 0.00 C ATOM 555 C LYS A 33 -4.137 -3.129 6.847 1.00 0.00 C ATOM 556 O LYS A 33 -3.739 -4.003 7.620 1.00 0.00 O ATOM 557 CB LYS A 33 -5.461 -2.005 8.656 1.00 0.00 C ATOM 558 CG LYS A 33 -6.045 -0.715 9.204 1.00 0.00 C ATOM 559 CD LYS A 33 -7.015 -0.982 10.334 1.00 0.00 C ATOM 560 CE LYS A 33 -7.657 0.304 10.813 1.00 0.00 C ATOM 561 NZ LYS A 33 -8.683 0.055 11.855 1.00 0.00 N ATOM 0 H LYS A 33 -5.158 -0.302 5.986 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.840 -1.145 7.568 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.268 -2.717 8.483 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.803 -2.445 9.405 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.240 -0.072 9.559 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.555 -0.177 8.405 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.787 -1.675 10.000 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.492 -1.462 11.161 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.889 0.967 11.211 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.115 0.818 9.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -9.098 0.960 12.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -9.429 -0.557 11.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.241 -0.412 12.672 1.00 0.00 H new ATOM 575 N LEU A 34 -4.099 -3.255 5.529 1.00 0.00 N ATOM 576 CA LEU A 34 -3.665 -4.485 4.895 1.00 0.00 C ATOM 577 C LEU A 34 -2.635 -4.203 3.815 1.00 0.00 C ATOM 578 O LEU A 34 -2.363 -3.048 3.475 1.00 0.00 O ATOM 579 CB LEU A 34 -4.856 -5.208 4.261 1.00 0.00 C ATOM 580 CG LEU A 34 -6.047 -5.476 5.185 1.00 0.00 C ATOM 581 CD1 LEU A 34 -7.212 -6.041 4.390 1.00 0.00 C ATOM 582 CD2 LEU A 34 -5.665 -6.432 6.303 1.00 0.00 C ATOM 0 H LEU A 34 -4.365 -2.516 4.878 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.218 -5.114 5.665 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.205 -4.618 3.413 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.508 -6.161 3.864 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.348 -4.529 5.633 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.052 -6.227 5.059 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.510 -5.326 3.623 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.911 -6.976 3.917 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.529 -6.605 6.945 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.335 -7.379 5.875 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.857 -5.999 6.892 1.00 0.00 H new ATOM 594 N ALA A 35 -2.087 -5.273 3.274 1.00 0.00 N ATOM 595 CA ALA A 35 -1.171 -5.203 2.154 1.00 0.00 C ATOM 596 C ALA A 35 -1.505 -6.313 1.173 1.00 0.00 C ATOM 597 O ALA A 35 -1.494 -7.496 1.531 1.00 0.00 O ATOM 598 CB ALA A 35 0.268 -5.320 2.628 1.00 0.00 C ATOM 0 H ALA A 35 -2.266 -6.222 3.602 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.278 -4.238 1.659 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.939 -5.265 1.771 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.492 -4.505 3.317 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.407 -6.274 3.137 1.00 0.00 H new ATOM 604 N TYR A 36 -1.828 -5.941 -0.052 1.00 0.00 N ATOM 605 CA TYR A 36 -2.243 -6.917 -1.042 1.00 0.00 C ATOM 606 C TYR A 36 -1.260 -6.972 -2.206 1.00 0.00 C ATOM 607 O TYR A 36 -0.676 -5.952 -2.586 1.00 0.00 O ATOM 608 CB TYR A 36 -3.669 -6.623 -1.527 1.00 0.00 C ATOM 609 CG TYR A 36 -3.894 -5.214 -2.027 1.00 0.00 C ATOM 610 CD1 TYR A 36 -4.292 -4.203 -1.159 1.00 0.00 C ATOM 611 CD2 TYR A 36 -3.725 -4.900 -3.367 1.00 0.00 C ATOM 612 CE1 TYR A 36 -4.512 -2.918 -1.617 1.00 0.00 C ATOM 613 CE2 TYR A 36 -3.946 -3.620 -3.831 1.00 0.00 C ATOM 614 CZ TYR A 36 -4.338 -2.633 -2.954 1.00 0.00 C ATOM 615 OH TYR A 36 -4.564 -1.358 -3.418 1.00 0.00 O ATOM 0 H TYR A 36 -1.811 -4.977 -0.384 1.00 0.00 H new ATOM 0 HA TYR A 36 -2.245 -7.900 -0.571 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -3.916 -7.321 -2.327 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -4.363 -6.818 -0.709 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -4.431 -4.425 -0.111 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -3.415 -5.670 -4.058 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -4.818 -2.142 -0.931 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.812 -3.393 -4.878 1.00 0.00 H new ATOM 0 HH TYR A 36 -4.395 -1.326 -4.383 1.00 0.00 H new ATOM 625 N PRO A 37 -1.054 -8.173 -2.766 1.00 0.00 N ATOM 626 CA PRO A 37 -0.105 -8.395 -3.856 1.00 0.00 C ATOM 627 C PRO A 37 -0.563 -7.772 -5.169 1.00 0.00 C ATOM 628 O PRO A 37 -1.766 -7.656 -5.438 1.00 0.00 O ATOM 629 CB PRO A 37 -0.041 -9.924 -3.989 1.00 0.00 C ATOM 630 CG PRO A 37 -0.734 -10.464 -2.783 1.00 0.00 C ATOM 631 CD PRO A 37 -1.726 -9.419 -2.377 1.00 0.00 C ATOM 0 HA PRO A 37 0.859 -7.934 -3.641 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.530 -10.258 -4.904 1.00 0.00 H new ATOM 0 HB3 PRO A 37 0.992 -10.270 -4.035 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -1.231 -11.408 -3.008 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -0.024 -10.661 -1.980 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -2.679 -9.543 -2.891 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -1.934 -9.451 -1.307 1.00 0.00 H new ATOM 639 N ILE A 38 0.400 -7.369 -5.979 1.00 0.00 N ATOM 640 CA ILE A 38 0.112 -6.767 -7.266 1.00 0.00 C ATOM 641 C ILE A 38 0.625 -7.650 -8.396 1.00 0.00 C ATOM 642 O ILE A 38 1.723 -8.198 -8.316 1.00 0.00 O ATOM 643 CB ILE A 38 0.750 -5.363 -7.383 1.00 0.00 C ATOM 644 CG1 ILE A 38 0.265 -4.460 -6.247 1.00 0.00 C ATOM 645 CG2 ILE A 38 0.438 -4.730 -8.734 1.00 0.00 C ATOM 646 CD1 ILE A 38 -1.241 -4.349 -6.162 1.00 0.00 C ATOM 0 H ILE A 38 1.394 -7.449 -5.765 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.970 -6.667 -7.346 1.00 0.00 H new ATOM 0 HB ILE A 38 1.831 -5.476 -7.304 1.00 0.00 H new ATOM 0 HG12 ILE A 38 0.647 -4.844 -5.301 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.687 -3.464 -6.380 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.899 -3.744 -8.789 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.833 -5.360 -9.531 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.641 -4.633 -8.850 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.511 -3.693 -5.334 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.629 -3.936 -7.093 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.670 -5.337 -5.997 1.00 0.00 H new ATOM 658 N LYS A 39 -0.181 -7.809 -9.435 1.00 0.00 N ATOM 659 CA LYS A 39 0.243 -8.558 -10.603 1.00 0.00 C ATOM 660 C LYS A 39 0.465 -7.610 -11.778 1.00 0.00 C ATOM 661 O LYS A 39 -0.362 -7.520 -12.685 1.00 0.00 O ATOM 662 CB LYS A 39 -0.780 -9.643 -10.953 1.00 0.00 C ATOM 663 CG LYS A 39 -0.291 -10.624 -12.007 1.00 0.00 C ATOM 664 CD LYS A 39 -1.241 -11.800 -12.163 1.00 0.00 C ATOM 665 CE LYS A 39 -1.347 -12.607 -10.878 1.00 0.00 C ATOM 666 NZ LYS A 39 -0.033 -13.154 -10.441 1.00 0.00 N ATOM 0 H LYS A 39 -1.127 -7.431 -9.491 1.00 0.00 H new ATOM 0 HA LYS A 39 1.187 -9.055 -10.379 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.037 -10.193 -10.048 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.694 -9.167 -11.308 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.188 -10.110 -12.963 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.699 -10.989 -11.733 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.228 -11.436 -12.447 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.894 -12.444 -12.971 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.755 -11.976 -10.089 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.049 -13.428 -11.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.182 -13.856 -9.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.440 -13.608 -11.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.562 -12.381 -10.081 1.00 0.00 H new ATOM 680 N ASP A 40 1.568 -6.865 -11.705 1.00 0.00 N ATOM 681 CA ASP A 40 1.979 -5.921 -12.752 1.00 0.00 C ATOM 682 C ASP A 40 0.842 -4.969 -13.122 1.00 0.00 C ATOM 683 O ASP A 40 0.496 -4.811 -14.294 1.00 0.00 O ATOM 684 CB ASP A 40 2.479 -6.669 -13.994 1.00 0.00 C ATOM 685 CG ASP A 40 3.303 -5.782 -14.913 1.00 0.00 C ATOM 686 OD1 ASP A 40 4.427 -5.398 -14.523 1.00 0.00 O ATOM 687 OD2 ASP A 40 2.839 -5.470 -16.031 1.00 0.00 O ATOM 0 H ASP A 40 2.209 -6.898 -10.912 1.00 0.00 H new ATOM 0 HA ASP A 40 2.799 -5.324 -12.354 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.081 -7.523 -13.683 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.625 -7.064 -14.545 1.00 0.00 H new ATOM 692 N GLY A 41 0.259 -4.341 -12.112 1.00 0.00 N ATOM 693 CA GLY A 41 -0.814 -3.391 -12.349 1.00 0.00 C ATOM 694 C GLY A 41 -2.178 -3.967 -12.033 1.00 0.00 C ATOM 695 O GLY A 41 -3.193 -3.283 -12.159 1.00 0.00 O ATOM 0 H GLY A 41 0.508 -4.471 -11.131 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.649 -2.502 -11.741 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.790 -3.073 -13.391 1.00 0.00 H new ATOM 699 N ILE A 42 -2.198 -5.230 -11.631 1.00 0.00 N ATOM 700 CA ILE A 42 -3.436 -5.914 -11.265 1.00 0.00 C ATOM 701 C ILE A 42 -3.494 -6.142 -9.753 1.00 0.00 C ATOM 702 O ILE A 42 -2.978 -7.141 -9.248 1.00 0.00 O ATOM 703 CB ILE A 42 -3.594 -7.267 -12.004 1.00 0.00 C ATOM 704 CG1 ILE A 42 -3.545 -7.063 -13.525 1.00 0.00 C ATOM 705 CG2 ILE A 42 -4.897 -7.952 -11.603 1.00 0.00 C ATOM 706 CD1 ILE A 42 -4.634 -6.150 -14.060 1.00 0.00 C ATOM 0 H ILE A 42 -1.363 -5.809 -11.549 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.260 -5.269 -11.569 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.763 -7.910 -11.714 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.573 -6.650 -13.795 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.626 -8.034 -14.014 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.988 -8.900 -12.133 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.896 -8.136 -10.529 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -5.740 -7.310 -11.860 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -4.532 -6.056 -15.141 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.611 -6.571 -13.823 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -4.542 -5.166 -13.600 1.00 0.00 H new ATOM 718 N PRO A 43 -4.046 -5.173 -9.008 1.00 0.00 N ATOM 719 CA PRO A 43 -4.157 -5.255 -7.549 1.00 0.00 C ATOM 720 C PRO A 43 -5.135 -6.343 -7.106 1.00 0.00 C ATOM 721 O PRO A 43 -6.257 -6.418 -7.606 1.00 0.00 O ATOM 722 CB PRO A 43 -4.689 -3.871 -7.143 1.00 0.00 C ATOM 723 CG PRO A 43 -4.518 -3.010 -8.348 1.00 0.00 C ATOM 724 CD PRO A 43 -4.631 -3.930 -9.522 1.00 0.00 C ATOM 0 HA PRO A 43 -3.204 -5.511 -7.086 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -5.736 -3.925 -6.844 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.135 -3.471 -6.293 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -5.281 -2.232 -8.385 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.551 -2.507 -8.336 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -5.667 -4.067 -9.832 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -4.086 -3.553 -10.387 1.00 0.00 H new ATOM 732 N TYR A 44 -4.709 -7.183 -6.171 1.00 0.00 N ATOM 733 CA TYR A 44 -5.569 -8.240 -5.655 1.00 0.00 C ATOM 734 C TYR A 44 -5.924 -8.008 -4.196 1.00 0.00 C ATOM 735 O TYR A 44 -5.339 -8.613 -3.296 1.00 0.00 O ATOM 736 CB TYR A 44 -4.918 -9.615 -5.816 1.00 0.00 C ATOM 737 CG TYR A 44 -5.009 -10.167 -7.214 1.00 0.00 C ATOM 738 CD1 TYR A 44 -6.242 -10.475 -7.770 1.00 0.00 C ATOM 739 CD2 TYR A 44 -3.869 -10.380 -7.977 1.00 0.00 C ATOM 740 CE1 TYR A 44 -6.340 -10.980 -9.048 1.00 0.00 C ATOM 741 CE2 TYR A 44 -3.960 -10.889 -9.257 1.00 0.00 C ATOM 742 CZ TYR A 44 -5.197 -11.187 -9.786 1.00 0.00 C ATOM 743 OH TYR A 44 -5.289 -11.700 -11.059 1.00 0.00 O ATOM 0 H TYR A 44 -3.778 -7.153 -5.756 1.00 0.00 H new ATOM 0 HA TYR A 44 -6.487 -8.216 -6.243 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -3.869 -9.546 -5.529 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -5.391 -10.314 -5.127 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.140 -10.316 -7.191 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.899 -10.145 -7.564 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -7.308 -11.212 -9.468 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.066 -11.053 -9.841 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.392 -11.784 -11.444 1.00 0.00 H new ATOM 753 N MET A 45 -6.878 -7.121 -3.962 1.00 0.00 N ATOM 754 CA MET A 45 -7.379 -6.877 -2.615 1.00 0.00 C ATOM 755 C MET A 45 -8.415 -7.936 -2.236 1.00 0.00 C ATOM 756 O MET A 45 -9.568 -7.628 -1.930 1.00 0.00 O ATOM 757 CB MET A 45 -7.971 -5.462 -2.481 1.00 0.00 C ATOM 758 CG MET A 45 -9.024 -5.105 -3.526 1.00 0.00 C ATOM 759 SD MET A 45 -8.316 -4.775 -5.151 1.00 0.00 S ATOM 760 CE MET A 45 -9.797 -4.482 -6.115 1.00 0.00 C ATOM 0 H MET A 45 -7.322 -6.557 -4.686 1.00 0.00 H new ATOM 0 HA MET A 45 -6.538 -6.946 -1.925 1.00 0.00 H new ATOM 0 HB2 MET A 45 -8.415 -5.362 -1.490 1.00 0.00 H new ATOM 0 HB3 MET A 45 -7.159 -4.737 -2.542 1.00 0.00 H new ATOM 0 HG2 MET A 45 -9.740 -5.923 -3.607 1.00 0.00 H new ATOM 0 HG3 MET A 45 -9.578 -4.228 -3.192 1.00 0.00 H new ATOM 0 HE1 MET A 45 -9.522 -4.264 -7.147 1.00 0.00 H new ATOM 0 HE2 MET A 45 -10.430 -5.369 -6.088 1.00 0.00 H new ATOM 0 HE3 MET A 45 -10.341 -3.635 -5.697 1.00 0.00 H new ATOM 770 N LEU A 46 -7.991 -9.190 -2.269 1.00 0.00 N ATOM 771 CA LEU A 46 -8.848 -10.306 -1.925 1.00 0.00 C ATOM 772 C LEU A 46 -8.697 -10.631 -0.445 1.00 0.00 C ATOM 773 O LEU A 46 -7.586 -10.640 0.079 1.00 0.00 O ATOM 774 CB LEU A 46 -8.485 -11.518 -2.782 1.00 0.00 C ATOM 775 CG LEU A 46 -8.599 -11.299 -4.293 1.00 0.00 C ATOM 776 CD1 LEU A 46 -8.153 -12.542 -5.044 1.00 0.00 C ATOM 777 CD2 LEU A 46 -10.025 -10.933 -4.674 1.00 0.00 C ATOM 0 H LEU A 46 -7.044 -9.459 -2.535 1.00 0.00 H new ATOM 0 HA LEU A 46 -9.887 -10.042 -2.119 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.463 -11.816 -2.549 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.131 -12.350 -2.501 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.945 -10.472 -4.571 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.240 -12.370 -6.117 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.115 -12.765 -4.795 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -8.783 -13.385 -4.759 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -10.086 -10.781 -5.752 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -10.698 -11.739 -4.382 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.314 -10.016 -4.161 1.00 0.00 H new ATOM 789 N GLU A 47 -9.807 -10.915 0.219 1.00 0.00 N ATOM 790 CA GLU A 47 -9.819 -11.094 1.669 1.00 0.00 C ATOM 791 C GLU A 47 -8.960 -12.275 2.116 1.00 0.00 C ATOM 792 O GLU A 47 -8.358 -12.244 3.187 1.00 0.00 O ATOM 793 CB GLU A 47 -11.253 -11.282 2.156 1.00 0.00 C ATOM 794 CG GLU A 47 -12.110 -10.041 2.003 1.00 0.00 C ATOM 795 CD GLU A 47 -13.528 -10.244 2.491 1.00 0.00 C ATOM 796 OE1 GLU A 47 -13.757 -10.178 3.716 1.00 0.00 O ATOM 797 OE2 GLU A 47 -14.427 -10.451 1.650 1.00 0.00 O ATOM 0 H GLU A 47 -10.719 -11.028 -0.224 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.390 -10.195 2.111 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.712 -12.101 1.603 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -11.237 -11.576 3.206 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.654 -9.220 2.556 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.130 -9.746 0.954 1.00 0.00 H new ATOM 804 N ASN A 48 -8.897 -13.305 1.288 1.00 0.00 N ATOM 805 CA ASN A 48 -8.184 -14.531 1.643 1.00 0.00 C ATOM 806 C ASN A 48 -6.712 -14.475 1.224 1.00 0.00 C ATOM 807 O ASN A 48 -5.877 -15.220 1.740 1.00 0.00 O ATOM 808 CB ASN A 48 -8.871 -15.738 0.991 1.00 0.00 C ATOM 809 CG ASN A 48 -8.254 -17.069 1.396 1.00 0.00 C ATOM 810 OD1 ASN A 48 -7.756 -17.230 2.510 1.00 0.00 O ATOM 811 ND2 ASN A 48 -8.289 -18.036 0.491 1.00 0.00 N ATOM 0 H ASN A 48 -9.329 -13.321 0.364 1.00 0.00 H new ATOM 0 HA ASN A 48 -8.214 -14.633 2.728 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -9.927 -15.737 1.261 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.819 -15.636 -0.093 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -7.895 -18.951 0.707 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -8.710 -17.865 -0.422 1.00 0.00 H new ATOM 818 N GLU A 49 -6.387 -13.584 0.302 1.00 0.00 N ATOM 819 CA GLU A 49 -5.046 -13.547 -0.258 1.00 0.00 C ATOM 820 C GLU A 49 -4.282 -12.277 0.122 1.00 0.00 C ATOM 821 O GLU A 49 -3.080 -12.176 -0.123 1.00 0.00 O ATOM 822 CB GLU A 49 -5.116 -13.715 -1.772 1.00 0.00 C ATOM 823 CG GLU A 49 -5.676 -15.069 -2.182 1.00 0.00 C ATOM 824 CD GLU A 49 -5.561 -15.344 -3.667 1.00 0.00 C ATOM 825 OE1 GLU A 49 -4.457 -15.687 -4.129 1.00 0.00 O ATOM 826 OE2 GLU A 49 -6.586 -15.257 -4.373 1.00 0.00 O ATOM 0 H GLU A 49 -7.026 -12.883 -0.072 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.485 -14.377 0.172 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.738 -12.925 -2.194 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.118 -13.595 -2.194 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.152 -15.852 -1.634 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.725 -15.123 -1.890 1.00 0.00 H new ATOM 833 N ALA A 50 -4.965 -11.315 0.721 1.00 0.00 N ATOM 834 CA ALA A 50 -4.296 -10.130 1.234 1.00 0.00 C ATOM 835 C ALA A 50 -3.789 -10.403 2.642 1.00 0.00 C ATOM 836 O ALA A 50 -4.380 -11.195 3.377 1.00 0.00 O ATOM 837 CB ALA A 50 -5.234 -8.937 1.231 1.00 0.00 C ATOM 0 H ALA A 50 -5.975 -11.330 0.863 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.451 -9.894 0.587 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.712 -8.062 1.619 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.567 -8.739 0.212 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.098 -9.152 1.860 1.00 0.00 H new ATOM 843 N ARG A 51 -2.688 -9.772 3.015 1.00 0.00 N ATOM 844 CA ARG A 51 -2.116 -9.974 4.331 1.00 0.00 C ATOM 845 C ARG A 51 -2.346 -8.749 5.205 1.00 0.00 C ATOM 846 O ARG A 51 -2.322 -7.624 4.713 1.00 0.00 O ATOM 847 CB ARG A 51 -0.622 -10.257 4.206 1.00 0.00 C ATOM 848 CG ARG A 51 -0.285 -11.540 3.451 1.00 0.00 C ATOM 849 CD ARG A 51 -0.753 -12.793 4.189 1.00 0.00 C ATOM 850 NE ARG A 51 -2.212 -12.948 4.181 1.00 0.00 N ATOM 851 CZ ARG A 51 -2.845 -14.097 4.426 1.00 0.00 C ATOM 852 NH1 ARG A 51 -2.153 -15.191 4.728 1.00 0.00 N ATOM 853 NH2 ARG A 51 -4.173 -14.141 4.395 1.00 0.00 N ATOM 0 H ARG A 51 -2.175 -9.117 2.425 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.604 -10.829 4.800 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.146 -9.417 3.700 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -0.190 -10.314 5.205 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.747 -11.509 2.464 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.793 -11.594 3.296 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.297 -13.670 3.731 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.402 -12.754 5.220 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.779 -12.125 3.975 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.135 -15.154 4.773 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -2.640 -16.067 4.915 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -4.706 -13.298 4.184 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -4.659 -15.018 4.582 1.00 0.00 H new ATOM 867 N PRO A 52 -2.589 -8.953 6.505 1.00 0.00 N ATOM 868 CA PRO A 52 -2.748 -7.858 7.459 1.00 0.00 C ATOM 869 C PRO A 52 -1.414 -7.207 7.781 1.00 0.00 C ATOM 870 O PRO A 52 -0.373 -7.871 7.774 1.00 0.00 O ATOM 871 CB PRO A 52 -3.328 -8.533 8.713 1.00 0.00 C ATOM 872 CG PRO A 52 -3.647 -9.937 8.310 1.00 0.00 C ATOM 873 CD PRO A 52 -2.746 -10.257 7.152 1.00 0.00 C ATOM 0 HA PRO A 52 -3.385 -7.065 7.068 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.611 -8.515 9.534 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -4.221 -8.013 9.059 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -3.478 -10.627 9.137 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -4.695 -10.031 8.025 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -1.790 -10.664 7.482 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.192 -10.992 6.482 1.00 0.00 H new ATOM 881 N LEU A 53 -1.433 -5.914 8.049 1.00 0.00 N ATOM 882 CA LEU A 53 -0.226 -5.212 8.396 1.00 0.00 C ATOM 883 C LEU A 53 -0.052 -5.190 9.894 1.00 0.00 C ATOM 884 O LEU A 53 -1.015 -5.044 10.650 1.00 0.00 O ATOM 885 CB LEU A 53 -0.248 -3.791 7.852 1.00 0.00 C ATOM 886 CG LEU A 53 0.090 -3.664 6.372 1.00 0.00 C ATOM 887 CD1 LEU A 53 -0.062 -2.223 5.911 1.00 0.00 C ATOM 888 CD2 LEU A 53 1.500 -4.168 6.098 1.00 0.00 C ATOM 0 H LEU A 53 -2.273 -5.336 8.031 1.00 0.00 H new ATOM 0 HA LEU A 53 0.616 -5.737 7.946 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.238 -3.368 8.021 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.457 -3.188 8.424 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.609 -4.281 5.807 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.184 -2.152 4.851 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.090 -1.897 6.068 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.612 -1.585 6.483 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.722 -4.069 5.035 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.215 -3.581 6.674 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.574 -5.216 6.388 1.00 0.00 H new ATOM 900 N SER A 54 1.177 -5.351 10.314 1.00 0.00 N ATOM 901 CA SER A 54 1.500 -5.319 11.718 1.00 0.00 C ATOM 902 C SER A 54 1.564 -3.871 12.187 1.00 0.00 C ATOM 903 O SER A 54 1.636 -2.960 11.365 1.00 0.00 O ATOM 904 CB SER A 54 2.824 -6.025 11.961 1.00 0.00 C ATOM 905 OG SER A 54 2.891 -7.240 11.229 1.00 0.00 O ATOM 0 H SER A 54 1.976 -5.507 9.699 1.00 0.00 H new ATOM 0 HA SER A 54 0.728 -5.839 12.286 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.647 -5.373 11.669 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.942 -6.230 13.025 1.00 0.00 H new ATOM 0 HG SER A 54 3.064 -7.044 10.285 1.00 0.00 H new ATOM 911 N GLU A 55 1.546 -3.662 13.491 1.00 0.00 N ATOM 912 CA GLU A 55 1.543 -2.336 14.063 1.00 0.00 C ATOM 913 C GLU A 55 2.761 -1.534 13.626 1.00 0.00 C ATOM 914 O GLU A 55 2.633 -0.404 13.171 1.00 0.00 O ATOM 915 CB GLU A 55 1.521 -2.467 15.577 1.00 0.00 C ATOM 916 CG GLU A 55 0.160 -2.830 16.152 1.00 0.00 C ATOM 917 CD GLU A 55 -0.915 -1.823 15.798 1.00 0.00 C ATOM 918 OE1 GLU A 55 -0.766 -0.638 16.159 1.00 0.00 O ATOM 919 OE2 GLU A 55 -1.911 -2.212 15.159 1.00 0.00 O ATOM 0 H GLU A 55 1.533 -4.412 14.182 1.00 0.00 H new ATOM 0 HA GLU A 55 0.661 -1.801 13.712 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.243 -3.227 15.875 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.849 -1.525 16.017 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.134 -3.813 15.784 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.237 -2.906 17.237 1.00 0.00 H new ATOM 926 N GLU A 56 3.936 -2.130 13.755 1.00 0.00 N ATOM 927 CA GLU A 56 5.170 -1.488 13.370 1.00 0.00 C ATOM 928 C GLU A 56 5.199 -1.190 11.868 1.00 0.00 C ATOM 929 O GLU A 56 5.822 -0.221 11.432 1.00 0.00 O ATOM 930 CB GLU A 56 6.321 -2.390 13.769 1.00 0.00 C ATOM 931 CG GLU A 56 7.053 -1.942 15.023 1.00 0.00 C ATOM 932 CD GLU A 56 7.704 -0.583 14.875 1.00 0.00 C ATOM 933 OE1 GLU A 56 7.011 0.439 15.037 1.00 0.00 O ATOM 934 OE2 GLU A 56 8.921 -0.527 14.599 1.00 0.00 O ATOM 0 H GLU A 56 4.054 -3.071 14.130 1.00 0.00 H new ATOM 0 HA GLU A 56 5.257 -0.529 13.881 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.941 -3.400 13.924 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.032 -2.440 12.944 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.351 -1.913 15.856 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.816 -2.679 15.274 1.00 0.00 H new ATOM 941 N GLU A 57 4.528 -2.034 11.088 1.00 0.00 N ATOM 942 CA GLU A 57 4.376 -1.816 9.658 1.00 0.00 C ATOM 943 C GLU A 57 3.438 -0.644 9.399 1.00 0.00 C ATOM 944 O GLU A 57 3.761 0.276 8.653 1.00 0.00 O ATOM 945 CB GLU A 57 3.824 -3.078 9.003 1.00 0.00 C ATOM 946 CG GLU A 57 4.738 -4.284 9.151 1.00 0.00 C ATOM 947 CD GLU A 57 4.246 -5.498 8.387 1.00 0.00 C ATOM 948 OE1 GLU A 57 3.188 -6.047 8.755 1.00 0.00 O ATOM 949 OE2 GLU A 57 4.932 -5.928 7.438 1.00 0.00 O ATOM 0 H GLU A 57 4.078 -2.883 11.430 1.00 0.00 H new ATOM 0 HA GLU A 57 5.351 -1.584 9.230 1.00 0.00 H new ATOM 0 HB2 GLU A 57 2.853 -3.311 9.441 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.658 -2.885 7.943 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.736 -4.021 8.801 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.827 -4.538 10.207 1.00 0.00 H new ATOM 956 N LEU A 58 2.271 -0.709 10.020 1.00 0.00 N ATOM 957 CA LEU A 58 1.298 0.380 10.010 1.00 0.00 C ATOM 958 C LEU A 58 1.947 1.708 10.388 1.00 0.00 C ATOM 959 O LEU A 58 1.717 2.734 9.748 1.00 0.00 O ATOM 960 CB LEU A 58 0.181 0.061 10.997 1.00 0.00 C ATOM 961 CG LEU A 58 -0.700 -1.117 10.607 1.00 0.00 C ATOM 962 CD1 LEU A 58 -1.691 -1.429 11.714 1.00 0.00 C ATOM 963 CD2 LEU A 58 -1.431 -0.829 9.302 1.00 0.00 C ATOM 0 H LEU A 58 1.967 -1.525 10.551 1.00 0.00 H new ATOM 0 HA LEU A 58 0.897 0.475 9.001 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.624 -0.142 11.972 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.447 0.944 11.110 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.063 -1.989 10.459 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.313 -2.274 11.418 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.150 -1.679 12.627 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.323 -0.559 11.893 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.056 -1.682 9.039 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.057 0.055 9.423 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.704 -0.654 8.509 1.00 0.00 H new ATOM 975 N LYS A 59 2.763 1.672 11.430 1.00 0.00 N ATOM 976 CA LYS A 59 3.447 2.844 11.919 1.00 0.00 C ATOM 977 C LYS A 59 4.485 3.350 10.929 1.00 0.00 C ATOM 978 O LYS A 59 4.857 4.526 10.947 1.00 0.00 O ATOM 979 CB LYS A 59 4.097 2.516 13.253 1.00 0.00 C ATOM 980 CG LYS A 59 3.114 2.430 14.414 1.00 0.00 C ATOM 981 CD LYS A 59 2.238 3.668 14.497 1.00 0.00 C ATOM 982 CE LYS A 59 1.162 3.519 15.555 1.00 0.00 C ATOM 983 NZ LYS A 59 0.132 4.581 15.437 1.00 0.00 N ATOM 0 H LYS A 59 2.966 0.823 11.958 1.00 0.00 H new ATOM 0 HA LYS A 59 2.717 3.643 12.048 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.625 1.566 13.165 1.00 0.00 H new ATOM 0 HB3 LYS A 59 4.845 3.276 13.478 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.486 1.547 14.296 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.663 2.308 15.348 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.855 4.537 14.725 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.774 3.852 13.528 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.690 2.541 15.460 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.616 3.559 16.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.606 4.430 16.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.573 5.511 15.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.294 4.548 14.489 1.00 0.00 H new ATOM 997 N ALA A 60 4.932 2.473 10.053 1.00 0.00 N ATOM 998 CA ALA A 60 5.872 2.853 9.009 1.00 0.00 C ATOM 999 C ALA A 60 5.128 3.427 7.815 1.00 0.00 C ATOM 1000 O ALA A 60 5.690 3.626 6.739 1.00 0.00 O ATOM 1001 CB ALA A 60 6.729 1.667 8.596 1.00 0.00 C ATOM 0 H ALA A 60 4.661 1.490 10.040 1.00 0.00 H new ATOM 0 HA ALA A 60 6.535 3.623 9.404 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.424 1.975 7.815 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.289 1.305 9.458 1.00 0.00 H new ATOM 0 HB3 ALA A 60 6.089 0.869 8.219 1.00 0.00 H new ATOM 1007 N LEU A 61 3.863 3.718 8.048 1.00 0.00 N ATOM 1008 CA LEU A 61 3.028 4.416 7.087 1.00 0.00 C ATOM 1009 C LEU A 61 2.469 5.659 7.749 1.00 0.00 C ATOM 1010 O LEU A 61 1.572 6.327 7.229 1.00 0.00 O ATOM 1011 CB LEU A 61 1.889 3.519 6.590 1.00 0.00 C ATOM 1012 CG LEU A 61 2.323 2.233 5.880 1.00 0.00 C ATOM 1013 CD1 LEU A 61 1.109 1.388 5.528 1.00 0.00 C ATOM 1014 CD2 LEU A 61 3.125 2.557 4.627 1.00 0.00 C ATOM 0 H LEU A 61 3.382 3.476 8.914 1.00 0.00 H new ATOM 0 HA LEU A 61 3.629 4.691 6.220 1.00 0.00 H new ATOM 0 HB2 LEU A 61 1.264 3.250 7.442 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.266 4.097 5.908 1.00 0.00 H new ATOM 0 HG LEU A 61 2.959 1.664 6.558 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.433 0.478 5.024 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.571 1.126 6.439 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.451 1.953 4.868 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.424 1.631 4.137 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.512 3.147 3.945 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.014 3.126 4.901 1.00 0.00 H new ATOM 1026 N GLU A 62 3.022 5.948 8.911 1.00 0.00 N ATOM 1027 CA GLU A 62 2.651 7.119 9.691 1.00 0.00 C ATOM 1028 C GLU A 62 3.890 7.951 9.992 1.00 0.00 C ATOM 1029 O GLU A 62 4.038 9.071 9.502 1.00 0.00 O ATOM 1030 CB GLU A 62 1.982 6.724 11.011 1.00 0.00 C ATOM 1031 CG GLU A 62 0.621 6.064 10.862 1.00 0.00 C ATOM 1032 CD GLU A 62 -0.118 5.974 12.185 1.00 0.00 C ATOM 1033 OE1 GLU A 62 -0.550 7.028 12.699 1.00 0.00 O ATOM 1034 OE2 GLU A 62 -0.249 4.861 12.732 1.00 0.00 O ATOM 0 H GLU A 62 3.746 5.375 9.345 1.00 0.00 H new ATOM 0 HA GLU A 62 1.940 7.699 9.102 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.643 6.044 11.548 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.872 7.616 11.628 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.020 6.630 10.150 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.747 5.063 10.449 1.00 0.00 H new ATOM 1041 N HIS A 63 4.784 7.379 10.790 1.00 0.00 N ATOM 1042 CA HIS A 63 6.022 8.046 11.167 1.00 0.00 C ATOM 1043 C HIS A 63 7.061 7.018 11.609 1.00 0.00 C ATOM 1044 O HIS A 63 6.873 6.309 12.596 1.00 0.00 O ATOM 1045 CB HIS A 63 5.785 9.102 12.267 1.00 0.00 C ATOM 1046 CG HIS A 63 5.178 8.571 13.538 1.00 0.00 C ATOM 1047 ND1 HIS A 63 5.921 8.270 14.657 1.00 0.00 N ATOM 1048 CD2 HIS A 63 3.890 8.299 13.864 1.00 0.00 C ATOM 1049 CE1 HIS A 63 5.123 7.834 15.614 1.00 0.00 C ATOM 1050 NE2 HIS A 63 3.884 7.844 15.160 1.00 0.00 N ATOM 0 H HIS A 63 4.672 6.448 11.190 1.00 0.00 H new ATOM 0 HA HIS A 63 6.403 8.572 10.292 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.737 9.575 12.507 1.00 0.00 H new ATOM 0 HB3 HIS A 63 5.134 9.880 11.869 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.029 8.418 13.223 1.00 0.00 H new ATOM 0 HE1 HIS A 63 5.432 7.522 16.601 1.00 0.00 H new ATOM 0 HE2 HIS A 63 3.057 7.560 15.686 1.00 0.00 H new ATOM 1059 N HIS A 64 8.138 6.935 10.846 1.00 0.00 N ATOM 1060 CA HIS A 64 9.234 6.014 11.118 1.00 0.00 C ATOM 1061 C HIS A 64 10.389 6.335 10.187 1.00 0.00 C ATOM 1062 O HIS A 64 11.443 6.801 10.620 1.00 0.00 O ATOM 1063 CB HIS A 64 8.806 4.554 10.924 1.00 0.00 C ATOM 1064 CG HIS A 64 8.733 3.771 12.199 1.00 0.00 C ATOM 1065 ND1 HIS A 64 9.822 3.548 13.009 1.00 0.00 N ATOM 1066 CD2 HIS A 64 7.692 3.147 12.798 1.00 0.00 C ATOM 1067 CE1 HIS A 64 9.457 2.820 14.045 1.00 0.00 C ATOM 1068 NE2 HIS A 64 8.167 2.562 13.945 1.00 0.00 N ATOM 0 H HIS A 64 8.279 7.508 10.014 1.00 0.00 H new ATOM 0 HA HIS A 64 9.537 6.136 12.158 1.00 0.00 H new ATOM 0 HB2 HIS A 64 7.830 4.533 10.439 1.00 0.00 H new ATOM 0 HB3 HIS A 64 9.508 4.066 10.248 1.00 0.00 H new ATOM 0 HD2 HIS A 64 6.674 3.115 12.439 1.00 0.00 H new ATOM 0 HE1 HIS A 64 10.106 2.490 14.843 1.00 0.00 H new ATOM 0 HE2 HIS A 64 7.615 2.019 14.609 1.00 0.00 H new ATOM 1077 N HIS A 65 10.167 6.098 8.900 1.00 0.00 N ATOM 1078 CA HIS A 65 11.146 6.416 7.873 1.00 0.00 C ATOM 1079 C HIS A 65 10.477 6.449 6.503 1.00 0.00 C ATOM 1080 O HIS A 65 9.813 5.497 6.098 1.00 0.00 O ATOM 1081 CB HIS A 65 12.317 5.413 7.883 1.00 0.00 C ATOM 1082 CG HIS A 65 11.959 4.014 7.460 1.00 0.00 C ATOM 1083 ND1 HIS A 65 12.480 3.411 6.335 1.00 0.00 N ATOM 1084 CD2 HIS A 65 11.134 3.101 8.022 1.00 0.00 C ATOM 1085 CE1 HIS A 65 11.989 2.191 6.223 1.00 0.00 C ATOM 1086 NE2 HIS A 65 11.170 1.980 7.232 1.00 0.00 N ATOM 0 H HIS A 65 9.307 5.682 8.542 1.00 0.00 H new ATOM 0 HA HIS A 65 11.556 7.402 8.089 1.00 0.00 H new ATOM 0 HB2 HIS A 65 13.101 5.786 7.224 1.00 0.00 H new ATOM 0 HB3 HIS A 65 12.736 5.377 8.889 1.00 0.00 H new ATOM 0 HD2 HIS A 65 10.555 3.230 8.924 1.00 0.00 H new ATOM 0 HE1 HIS A 65 12.220 1.486 5.438 1.00 0.00 H new ATOM 0 HE2 HIS A 65 10.646 1.121 7.399 1.00 0.00 H new ATOM 1095 N HIS A 66 10.633 7.561 5.812 1.00 0.00 N ATOM 1096 CA HIS A 66 10.125 7.706 4.455 1.00 0.00 C ATOM 1097 C HIS A 66 11.261 8.157 3.555 1.00 0.00 C ATOM 1098 O HIS A 66 11.061 8.891 2.590 1.00 0.00 O ATOM 1099 CB HIS A 66 8.953 8.700 4.401 1.00 0.00 C ATOM 1100 CG HIS A 66 9.257 10.061 4.957 1.00 0.00 C ATOM 1101 ND1 HIS A 66 9.712 11.110 4.188 1.00 0.00 N ATOM 1102 CD2 HIS A 66 9.156 10.543 6.220 1.00 0.00 C ATOM 1103 CE1 HIS A 66 9.879 12.173 4.952 1.00 0.00 C ATOM 1104 NE2 HIS A 66 9.548 11.855 6.189 1.00 0.00 N ATOM 0 H HIS A 66 11.112 8.387 6.170 1.00 0.00 H new ATOM 0 HA HIS A 66 9.744 6.745 4.109 1.00 0.00 H new ATOM 0 HB2 HIS A 66 8.635 8.809 3.364 1.00 0.00 H new ATOM 0 HB3 HIS A 66 8.111 8.278 4.950 1.00 0.00 H new ATOM 0 HD2 HIS A 66 8.827 9.994 7.090 1.00 0.00 H new ATOM 0 HE1 HIS A 66 10.228 13.140 4.621 1.00 0.00 H new ATOM 0 HE2 HIS A 66 9.579 12.484 6.992 1.00 0.00 H new ATOM 1113 N HIS A 67 12.450 7.679 3.895 1.00 0.00 N ATOM 1114 CA HIS A 67 13.682 8.063 3.221 1.00 0.00 C ATOM 1115 C HIS A 67 13.600 7.792 1.723 1.00 0.00 C ATOM 1116 O HIS A 67 13.358 6.658 1.302 1.00 0.00 O ATOM 1117 CB HIS A 67 14.855 7.288 3.827 1.00 0.00 C ATOM 1118 CG HIS A 67 16.201 7.859 3.503 1.00 0.00 C ATOM 1119 ND1 HIS A 67 17.063 7.300 2.585 1.00 0.00 N ATOM 1120 CD2 HIS A 67 16.839 8.943 4.001 1.00 0.00 C ATOM 1121 CE1 HIS A 67 18.170 8.016 2.536 1.00 0.00 C ATOM 1122 NE2 HIS A 67 18.061 9.017 3.385 1.00 0.00 N ATOM 0 H HIS A 67 12.587 7.009 4.652 1.00 0.00 H new ATOM 0 HA HIS A 67 13.833 9.133 3.361 1.00 0.00 H new ATOM 0 HB2 HIS A 67 14.736 7.259 4.910 1.00 0.00 H new ATOM 0 HB3 HIS A 67 14.816 6.257 3.475 1.00 0.00 H new ATOM 0 HD2 HIS A 67 16.456 9.624 4.746 1.00 0.00 H new ATOM 0 HE1 HIS A 67 19.023 7.815 1.905 1.00 0.00 H new ATOM 0 HE2 HIS A 67 18.770 9.730 3.556 1.00 0.00 H new ATOM 1131 N HIS A 68 13.796 8.852 0.942 1.00 0.00 N ATOM 1132 CA HIS A 68 13.810 8.776 -0.517 1.00 0.00 C ATOM 1133 C HIS A 68 12.438 8.375 -1.059 1.00 0.00 C ATOM 1134 O HIS A 68 12.287 7.226 -1.526 1.00 0.00 O ATOM 1135 CB HIS A 68 14.885 7.789 -0.991 1.00 0.00 C ATOM 1136 CG HIS A 68 15.179 7.873 -2.457 1.00 0.00 C ATOM 1137 ND1 HIS A 68 14.329 7.395 -3.428 1.00 0.00 N ATOM 1138 CD2 HIS A 68 16.238 8.397 -3.114 1.00 0.00 C ATOM 1139 CE1 HIS A 68 14.854 7.617 -4.618 1.00 0.00 C ATOM 1140 NE2 HIS A 68 16.013 8.227 -4.456 1.00 0.00 N ATOM 1141 OXT HIS A 68 11.511 9.211 -1.009 1.00 0.00 O ATOM 0 H HIS A 68 13.950 9.793 1.305 1.00 0.00 H new ATOM 0 HA HIS A 68 14.049 9.766 -0.906 1.00 0.00 H new ATOM 0 HB2 HIS A 68 15.804 7.973 -0.435 1.00 0.00 H new ATOM 0 HB3 HIS A 68 14.565 6.775 -0.752 1.00 0.00 H new ATOM 0 HD1 HIS A 68 13.433 6.940 -3.255 1.00 0.00 H new ATOM 0 HD2 HIS A 68 17.102 8.864 -2.665 1.00 0.00 H new ATOM 0 HE1 HIS A 68 14.410 7.345 -5.564 1.00 0.00 H new TER 1150 HIS A 68