USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=13 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 22 GLN : amide:sc= 0.511 X(o=0.17,f=0.34) USER MOD Set 1.2: A 25 GLN : amide:sc= -0.337! X(o=0.17!,f=0.34) USER MOD Set 2.1: A 11 CYS SG : rot 180:sc= -1.44! USER MOD Set 2.2: A 31 GLN : amide:sc= 2.01 K(o=0.58,f=-8.8!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -160:sc= -0.147 (180deg=-0.563) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -170:sc= 0.00691 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 HE2:sc= -2.83! C(o=-2.8!,f=-3.9!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot -15:sc= 0.713 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+ -175:sc= 0 (180deg=-0.0222) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -171:sc= -0.861 (180deg=-1.09) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.0026) USER MOD Single : A 54 SER OG : rot -74:sc= 1.03 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HE2:sc= 0.908 K(o=0.91,f=-3.1!) USER MOD Single : A 64 HIS : no HE2:sc= 0.934 K(o=0.93,f=-6.6!) USER MOD Single : A 65 HIS : no HD1:sc= -0.49 K(o=-0.49,f=-1.2) USER MOD Single : A 66 HIS : no HD1:sc= -0.217 X(o=-0.22,f=-0.18) USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 HIS : no HD1:sc= -0.0968 X(o=-0.097,f=-0.037) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.087 15.226 -12.986 1.00 0.00 N ATOM 2 CA MET A 1 7.749 15.658 -12.521 1.00 0.00 C ATOM 3 C MET A 1 6.763 14.495 -12.533 1.00 0.00 C ATOM 4 O MET A 1 5.568 14.686 -12.310 1.00 0.00 O ATOM 5 CB MET A 1 7.209 16.788 -13.406 1.00 0.00 C ATOM 6 CG MET A 1 8.001 18.081 -13.319 1.00 0.00 C ATOM 7 SD MET A 1 7.313 19.383 -14.366 1.00 0.00 S ATOM 8 CE MET A 1 8.416 20.743 -13.986 1.00 0.00 C ATOM 0 H1 MET A 1 9.804 15.906 -12.660 1.00 0.00 H new ATOM 0 H2 MET A 1 9.302 14.285 -12.600 1.00 0.00 H new ATOM 0 H3 MET A 1 9.097 15.184 -14.025 1.00 0.00 H new ATOM 0 HA MET A 1 7.857 16.019 -11.498 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.200 16.450 -14.442 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.175 16.989 -13.128 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.020 18.423 -12.284 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.034 17.891 -13.611 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.119 21.623 -14.557 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.363 20.967 -12.921 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.437 20.467 -14.249 1.00 0.00 H new ATOM 20 N GLU A 2 7.253 13.284 -12.782 1.00 0.00 N ATOM 21 CA GLU A 2 6.372 12.129 -12.892 1.00 0.00 C ATOM 22 C GLU A 2 5.966 11.592 -11.521 1.00 0.00 C ATOM 23 O GLU A 2 6.423 10.541 -11.074 1.00 0.00 O ATOM 24 CB GLU A 2 6.971 11.012 -13.770 1.00 0.00 C ATOM 25 CG GLU A 2 8.455 10.743 -13.562 1.00 0.00 C ATOM 26 CD GLU A 2 9.338 11.793 -14.201 1.00 0.00 C ATOM 27 OE1 GLU A 2 9.519 11.758 -15.437 1.00 0.00 O ATOM 28 OE2 GLU A 2 9.826 12.680 -13.473 1.00 0.00 O ATOM 0 H GLU A 2 8.244 13.079 -12.910 1.00 0.00 H new ATOM 0 HA GLU A 2 5.470 12.480 -13.393 1.00 0.00 H new ATOM 0 HB2 GLU A 2 6.422 10.090 -13.580 1.00 0.00 H new ATOM 0 HB3 GLU A 2 6.809 11.270 -14.817 1.00 0.00 H new ATOM 0 HG2 GLU A 2 8.665 10.700 -12.493 1.00 0.00 H new ATOM 0 HG3 GLU A 2 8.704 9.766 -13.975 1.00 0.00 H new ATOM 35 N LYS A 3 5.129 12.360 -10.848 1.00 0.00 N ATOM 36 CA LYS A 3 4.436 11.910 -9.665 1.00 0.00 C ATOM 37 C LYS A 3 3.008 12.404 -9.752 1.00 0.00 C ATOM 38 O LYS A 3 2.734 13.361 -10.478 1.00 0.00 O ATOM 39 CB LYS A 3 5.114 12.383 -8.375 1.00 0.00 C ATOM 40 CG LYS A 3 5.520 13.851 -8.357 1.00 0.00 C ATOM 41 CD LYS A 3 6.048 14.255 -6.986 1.00 0.00 C ATOM 42 CE LYS A 3 7.108 13.280 -6.484 1.00 0.00 C ATOM 43 NZ LYS A 3 7.512 13.561 -5.080 1.00 0.00 N ATOM 0 H LYS A 3 4.912 13.321 -11.113 1.00 0.00 H new ATOM 0 HA LYS A 3 4.460 10.821 -9.624 1.00 0.00 H new ATOM 0 HB2 LYS A 3 4.438 12.199 -7.540 1.00 0.00 H new ATOM 0 HB3 LYS A 3 6.003 11.775 -8.206 1.00 0.00 H new ATOM 0 HG2 LYS A 3 6.285 14.030 -9.112 1.00 0.00 H new ATOM 0 HG3 LYS A 3 4.663 14.472 -8.618 1.00 0.00 H new ATOM 0 HD2 LYS A 3 6.471 15.258 -7.039 1.00 0.00 H new ATOM 0 HD3 LYS A 3 5.223 14.295 -6.275 1.00 0.00 H new ATOM 0 HE2 LYS A 3 6.724 12.262 -6.553 1.00 0.00 H new ATOM 0 HE3 LYS A 3 7.984 13.335 -7.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 8.234 12.874 -4.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 7.903 14.523 -5.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 6.682 13.483 -4.458 1.00 0.00 H new ATOM 57 N LYS A 4 2.110 11.752 -9.026 1.00 0.00 N ATOM 58 CA LYS A 4 0.684 11.946 -9.187 1.00 0.00 C ATOM 59 C LYS A 4 0.217 11.494 -10.575 1.00 0.00 C ATOM 60 O LYS A 4 -0.894 11.802 -11.002 1.00 0.00 O ATOM 61 CB LYS A 4 0.302 13.387 -8.916 1.00 0.00 C ATOM 62 CG LYS A 4 0.500 13.801 -7.469 1.00 0.00 C ATOM 63 CD LYS A 4 0.163 15.265 -7.273 1.00 0.00 C ATOM 64 CE LYS A 4 0.247 15.671 -5.809 1.00 0.00 C ATOM 65 NZ LYS A 4 -0.081 17.110 -5.611 1.00 0.00 N ATOM 0 H LYS A 4 2.356 11.072 -8.307 1.00 0.00 H new ATOM 0 HA LYS A 4 0.173 11.323 -8.453 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.895 14.039 -9.557 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -0.743 13.536 -9.189 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -0.129 13.189 -6.823 1.00 0.00 H new ATOM 0 HG3 LYS A 4 1.533 13.619 -7.173 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.847 15.878 -7.860 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -0.842 15.460 -7.648 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -0.438 15.059 -5.223 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.251 15.473 -5.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -0.012 17.346 -4.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.588 17.696 -6.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -1.049 17.295 -5.944 1.00 0.00 H new ATOM 79 N PHE A 5 1.079 10.759 -11.271 1.00 0.00 N ATOM 80 CA PHE A 5 0.704 10.097 -12.515 1.00 0.00 C ATOM 81 C PHE A 5 0.470 8.618 -12.246 1.00 0.00 C ATOM 82 O PHE A 5 -0.660 8.144 -12.267 1.00 0.00 O ATOM 83 CB PHE A 5 1.789 10.271 -13.581 1.00 0.00 C ATOM 84 CG PHE A 5 1.869 11.661 -14.148 1.00 0.00 C ATOM 85 CD1 PHE A 5 1.063 12.033 -15.211 1.00 0.00 C ATOM 86 CD2 PHE A 5 2.753 12.590 -13.624 1.00 0.00 C ATOM 87 CE1 PHE A 5 1.134 13.306 -15.740 1.00 0.00 C ATOM 88 CE2 PHE A 5 2.829 13.865 -14.149 1.00 0.00 C ATOM 89 CZ PHE A 5 2.019 14.223 -15.208 1.00 0.00 C ATOM 0 H PHE A 5 2.048 10.607 -10.992 1.00 0.00 H new ATOM 0 HA PHE A 5 -0.212 10.553 -12.891 1.00 0.00 H new ATOM 0 HB2 PHE A 5 2.755 10.010 -13.148 1.00 0.00 H new ATOM 0 HB3 PHE A 5 1.603 9.568 -14.393 1.00 0.00 H new ATOM 0 HD1 PHE A 5 0.371 11.319 -15.631 1.00 0.00 H new ATOM 0 HD2 PHE A 5 3.389 12.314 -12.796 1.00 0.00 H new ATOM 0 HE1 PHE A 5 0.499 13.584 -16.568 1.00 0.00 H new ATOM 0 HE2 PHE A 5 3.521 14.581 -13.732 1.00 0.00 H new ATOM 0 HZ PHE A 5 2.077 15.220 -15.620 1.00 0.00 H new ATOM 99 N LEU A 6 1.551 7.894 -11.991 1.00 0.00 N ATOM 100 CA LEU A 6 1.458 6.519 -11.523 1.00 0.00 C ATOM 101 C LEU A 6 1.380 6.521 -10.001 1.00 0.00 C ATOM 102 O LEU A 6 1.093 5.508 -9.366 1.00 0.00 O ATOM 103 CB LEU A 6 2.669 5.696 -11.988 1.00 0.00 C ATOM 104 CG LEU A 6 3.970 5.892 -11.194 1.00 0.00 C ATOM 105 CD1 LEU A 6 5.006 4.862 -11.612 1.00 0.00 C ATOM 106 CD2 LEU A 6 4.531 7.298 -11.370 1.00 0.00 C ATOM 0 H LEU A 6 2.505 8.238 -12.101 1.00 0.00 H new ATOM 0 HA LEU A 6 0.562 6.060 -11.942 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.400 4.640 -11.950 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.866 5.937 -13.033 1.00 0.00 H new ATOM 0 HG LEU A 6 3.734 5.756 -10.139 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.922 5.014 -11.041 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.621 3.860 -11.421 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.220 4.971 -12.675 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.451 7.398 -10.793 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.743 7.476 -12.424 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.801 8.027 -11.018 1.00 0.00 H new ATOM 118 N ASP A 7 1.617 7.697 -9.437 1.00 0.00 N ATOM 119 CA ASP A 7 1.654 7.883 -7.999 1.00 0.00 C ATOM 120 C ASP A 7 0.320 8.452 -7.531 1.00 0.00 C ATOM 121 O ASP A 7 0.223 9.579 -7.054 1.00 0.00 O ATOM 122 CB ASP A 7 2.825 8.801 -7.620 1.00 0.00 C ATOM 123 CG ASP A 7 2.904 9.089 -6.135 1.00 0.00 C ATOM 124 OD1 ASP A 7 3.031 8.134 -5.340 1.00 0.00 O ATOM 125 OD2 ASP A 7 2.817 10.277 -5.756 1.00 0.00 O ATOM 0 H ASP A 7 1.789 8.550 -9.969 1.00 0.00 H new ATOM 0 HA ASP A 7 1.811 6.926 -7.502 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.758 8.340 -7.944 1.00 0.00 H new ATOM 0 HB3 ASP A 7 2.730 9.742 -8.161 1.00 0.00 H new ATOM 130 N ILE A 8 -0.719 7.674 -7.762 1.00 0.00 N ATOM 131 CA ILE A 8 -2.067 8.022 -7.333 1.00 0.00 C ATOM 132 C ILE A 8 -2.751 6.812 -6.714 1.00 0.00 C ATOM 133 O ILE A 8 -3.980 6.697 -6.737 1.00 0.00 O ATOM 134 CB ILE A 8 -2.927 8.543 -8.505 1.00 0.00 C ATOM 135 CG1 ILE A 8 -2.805 7.611 -9.717 1.00 0.00 C ATOM 136 CG2 ILE A 8 -2.538 9.971 -8.863 1.00 0.00 C ATOM 137 CD1 ILE A 8 -3.658 8.030 -10.895 1.00 0.00 C ATOM 0 H ILE A 8 -0.657 6.782 -8.252 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.974 8.818 -6.594 1.00 0.00 H new ATOM 0 HB ILE A 8 -3.971 8.551 -8.193 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.762 7.572 -10.031 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.086 6.601 -9.417 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.155 10.320 -9.691 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.691 10.617 -7.999 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -1.489 10.000 -9.156 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -3.520 7.324 -11.714 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -4.707 8.041 -10.599 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -3.363 9.027 -11.222 1.00 0.00 H new ATOM 149 N LEU A 9 -1.949 5.917 -6.152 1.00 0.00 N ATOM 150 CA LEU A 9 -2.469 4.688 -5.572 1.00 0.00 C ATOM 151 C LEU A 9 -3.151 4.964 -4.242 1.00 0.00 C ATOM 152 O LEU A 9 -2.533 5.474 -3.303 1.00 0.00 O ATOM 153 CB LEU A 9 -1.354 3.665 -5.377 1.00 0.00 C ATOM 154 CG LEU A 9 -0.591 3.279 -6.646 1.00 0.00 C ATOM 155 CD1 LEU A 9 0.517 2.289 -6.318 1.00 0.00 C ATOM 156 CD2 LEU A 9 -1.539 2.691 -7.684 1.00 0.00 C ATOM 0 H LEU A 9 -0.936 6.020 -6.086 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.204 4.279 -6.266 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.643 4.061 -4.652 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.784 2.762 -4.942 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.140 4.179 -7.063 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.050 2.024 -7.231 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.212 2.742 -5.610 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.084 1.391 -5.877 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.978 2.423 -8.579 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.018 1.801 -7.276 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.300 3.428 -7.940 1.00 0.00 H new ATOM 168 N VAL A 10 -4.426 4.623 -4.176 1.00 0.00 N ATOM 169 CA VAL A 10 -5.219 4.809 -2.972 1.00 0.00 C ATOM 170 C VAL A 10 -6.051 3.566 -2.689 1.00 0.00 C ATOM 171 O VAL A 10 -6.262 2.736 -3.576 1.00 0.00 O ATOM 172 CB VAL A 10 -6.161 6.031 -3.071 1.00 0.00 C ATOM 173 CG1 VAL A 10 -5.369 7.330 -3.066 1.00 0.00 C ATOM 174 CG2 VAL A 10 -7.042 5.941 -4.312 1.00 0.00 C ATOM 0 H VAL A 10 -4.941 4.210 -4.954 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.516 4.987 -2.158 1.00 0.00 H new ATOM 0 HB VAL A 10 -6.809 6.026 -2.195 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -6.055 8.174 -3.137 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -4.797 7.404 -2.141 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -4.688 7.344 -3.917 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -7.695 6.812 -4.358 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -6.414 5.910 -5.202 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -7.647 5.036 -4.264 1.00 0.00 H new ATOM 184 N CYS A 11 -6.508 3.438 -1.452 1.00 0.00 N ATOM 185 CA CYS A 11 -7.352 2.318 -1.054 1.00 0.00 C ATOM 186 C CYS A 11 -8.721 2.416 -1.727 1.00 0.00 C ATOM 187 O CYS A 11 -9.223 3.513 -1.956 1.00 0.00 O ATOM 188 CB CYS A 11 -7.523 2.311 0.464 1.00 0.00 C ATOM 189 SG CYS A 11 -5.972 2.415 1.380 1.00 0.00 S ATOM 0 H CYS A 11 -6.308 4.099 -0.702 1.00 0.00 H new ATOM 0 HA CYS A 11 -6.872 1.391 -1.368 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -8.159 3.148 0.751 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -8.045 1.400 0.756 1.00 0.00 H new ATOM 0 HG CYS A 11 -6.220 2.405 2.656 1.00 0.00 H new ATOM 195 N PRO A 12 -9.351 1.276 -2.046 1.00 0.00 N ATOM 196 CA PRO A 12 -10.656 1.262 -2.719 1.00 0.00 C ATOM 197 C PRO A 12 -11.794 1.742 -1.817 1.00 0.00 C ATOM 198 O PRO A 12 -12.819 2.224 -2.299 1.00 0.00 O ATOM 199 CB PRO A 12 -10.845 -0.211 -3.091 1.00 0.00 C ATOM 200 CG PRO A 12 -10.023 -0.963 -2.103 1.00 0.00 C ATOM 201 CD PRO A 12 -8.841 -0.086 -1.795 1.00 0.00 C ATOM 0 HA PRO A 12 -10.678 1.939 -3.573 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -11.894 -0.501 -3.035 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -10.514 -0.407 -4.111 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -10.596 -1.177 -1.201 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -9.702 -1.921 -2.511 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -8.509 -0.207 -0.764 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -7.989 -0.320 -2.434 1.00 0.00 H new ATOM 209 N VAL A 13 -11.606 1.615 -0.509 1.00 0.00 N ATOM 210 CA VAL A 13 -12.644 1.980 0.447 1.00 0.00 C ATOM 211 C VAL A 13 -12.311 3.303 1.136 1.00 0.00 C ATOM 212 O VAL A 13 -12.998 4.307 0.948 1.00 0.00 O ATOM 213 CB VAL A 13 -12.841 0.878 1.516 1.00 0.00 C ATOM 214 CG1 VAL A 13 -14.002 1.220 2.439 1.00 0.00 C ATOM 215 CG2 VAL A 13 -13.061 -0.479 0.862 1.00 0.00 C ATOM 0 H VAL A 13 -10.747 1.263 -0.087 1.00 0.00 H new ATOM 0 HA VAL A 13 -13.572 2.092 -0.114 1.00 0.00 H new ATOM 0 HB VAL A 13 -11.932 0.825 2.115 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -14.121 0.431 3.182 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -13.800 2.165 2.943 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -14.918 1.309 1.854 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -13.197 -1.237 1.633 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -13.949 -0.439 0.232 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -12.194 -0.734 0.252 1.00 0.00 H new ATOM 225 N THR A 14 -11.241 3.304 1.920 1.00 0.00 N ATOM 226 CA THR A 14 -10.852 4.483 2.678 1.00 0.00 C ATOM 227 C THR A 14 -10.264 5.554 1.766 1.00 0.00 C ATOM 228 O THR A 14 -10.290 6.740 2.092 1.00 0.00 O ATOM 229 CB THR A 14 -9.838 4.111 3.771 1.00 0.00 C ATOM 230 OG1 THR A 14 -8.791 3.311 3.207 1.00 0.00 O ATOM 231 CG2 THR A 14 -10.515 3.342 4.894 1.00 0.00 C ATOM 0 H THR A 14 -10.627 2.500 2.047 1.00 0.00 H new ATOM 0 HA THR A 14 -11.749 4.887 3.148 1.00 0.00 H new ATOM 0 HB THR A 14 -9.419 5.030 4.180 1.00 0.00 H new ATOM 0 HG1 THR A 14 -8.235 2.945 3.926 1.00 0.00 H new ATOM 0 HG21 THR A 14 -9.779 3.089 5.657 1.00 0.00 H new ATOM 0 HG22 THR A 14 -11.298 3.958 5.336 1.00 0.00 H new ATOM 0 HG23 THR A 14 -10.954 2.427 4.496 1.00 0.00 H new ATOM 239 N LYS A 15 -9.731 5.113 0.625 1.00 0.00 N ATOM 240 CA LYS A 15 -9.177 6.009 -0.392 1.00 0.00 C ATOM 241 C LYS A 15 -8.033 6.852 0.165 1.00 0.00 C ATOM 242 O LYS A 15 -7.753 7.948 -0.323 1.00 0.00 O ATOM 243 CB LYS A 15 -10.286 6.888 -0.986 1.00 0.00 C ATOM 244 CG LYS A 15 -11.368 6.071 -1.676 1.00 0.00 C ATOM 245 CD LYS A 15 -12.448 6.935 -2.299 1.00 0.00 C ATOM 246 CE LYS A 15 -13.528 6.070 -2.929 1.00 0.00 C ATOM 247 NZ LYS A 15 -14.573 6.877 -3.607 1.00 0.00 N ATOM 0 H LYS A 15 -9.671 4.125 0.380 1.00 0.00 H new ATOM 0 HA LYS A 15 -8.759 5.398 -1.192 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -10.736 7.485 -0.193 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -9.849 7.585 -1.701 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.913 5.452 -2.449 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -11.823 5.394 -0.953 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.889 7.580 -1.539 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -12.009 7.586 -3.055 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -13.072 5.391 -3.650 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -13.991 5.453 -2.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -15.287 6.244 -4.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -15.028 7.507 -2.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -14.137 7.447 -4.360 1.00 0.00 H new ATOM 261 N GLY A 16 -7.358 6.316 1.175 1.00 0.00 N ATOM 262 CA GLY A 16 -6.188 6.973 1.719 1.00 0.00 C ATOM 263 C GLY A 16 -4.949 6.654 0.908 1.00 0.00 C ATOM 264 O GLY A 16 -4.991 5.792 0.029 1.00 0.00 O ATOM 0 H GLY A 16 -7.602 5.435 1.627 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.348 8.051 1.734 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.040 6.659 2.752 1.00 0.00 H new ATOM 268 N ARG A 17 -3.846 7.328 1.206 1.00 0.00 N ATOM 269 CA ARG A 17 -2.619 7.168 0.445 1.00 0.00 C ATOM 270 C ARG A 17 -1.961 5.818 0.689 1.00 0.00 C ATOM 271 O ARG A 17 -2.109 5.214 1.751 1.00 0.00 O ATOM 272 CB ARG A 17 -1.649 8.280 0.804 1.00 0.00 C ATOM 273 CG ARG A 17 -1.502 9.334 -0.275 1.00 0.00 C ATOM 274 CD ARG A 17 -0.771 8.780 -1.487 1.00 0.00 C ATOM 275 NE ARG A 17 -0.549 9.794 -2.514 1.00 0.00 N ATOM 276 CZ ARG A 17 0.439 9.745 -3.405 1.00 0.00 C ATOM 277 NH1 ARG A 17 1.305 8.741 -3.388 1.00 0.00 N ATOM 278 NH2 ARG A 17 0.556 10.701 -4.314 1.00 0.00 N ATOM 0 H ARG A 17 -3.779 7.995 1.975 1.00 0.00 H new ATOM 0 HA ARG A 17 -2.879 7.220 -0.612 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.984 8.759 1.724 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.671 7.844 1.009 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -2.487 9.693 -0.573 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.957 10.191 0.121 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.188 8.369 -1.173 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -1.347 7.957 -1.911 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.189 10.587 -2.551 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.216 8.002 -2.690 1.00 0.00 H new ATOM 0 HH12 ARG A 17 2.060 8.707 -4.073 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.110 11.473 -4.331 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.312 10.665 -4.997 1.00 0.00 H new ATOM 292 N LEU A 18 -1.221 5.374 -0.308 1.00 0.00 N ATOM 293 CA LEU A 18 -0.506 4.109 -0.249 1.00 0.00 C ATOM 294 C LEU A 18 0.917 4.285 -0.759 1.00 0.00 C ATOM 295 O LEU A 18 1.147 4.995 -1.741 1.00 0.00 O ATOM 296 CB LEU A 18 -1.211 3.049 -1.102 1.00 0.00 C ATOM 297 CG LEU A 18 -2.604 2.628 -0.631 1.00 0.00 C ATOM 298 CD1 LEU A 18 -3.229 1.661 -1.622 1.00 0.00 C ATOM 299 CD2 LEU A 18 -2.528 1.996 0.748 1.00 0.00 C ATOM 0 H LEU A 18 -1.097 5.880 -1.185 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.487 3.781 0.790 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.292 3.427 -2.121 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.578 2.162 -1.140 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.232 3.517 -0.571 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.220 1.371 -1.272 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.315 2.143 -2.596 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.602 0.774 -1.710 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.527 1.702 1.069 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.885 1.116 0.710 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.117 2.716 1.456 1.00 0.00 H new ATOM 311 N GLU A 19 1.867 3.653 -0.089 1.00 0.00 N ATOM 312 CA GLU A 19 3.232 3.605 -0.575 1.00 0.00 C ATOM 313 C GLU A 19 3.686 2.156 -0.684 1.00 0.00 C ATOM 314 O GLU A 19 3.579 1.378 0.268 1.00 0.00 O ATOM 315 CB GLU A 19 4.178 4.428 0.309 1.00 0.00 C ATOM 316 CG GLU A 19 4.097 4.117 1.793 1.00 0.00 C ATOM 317 CD GLU A 19 5.041 4.983 2.605 1.00 0.00 C ATOM 318 OE1 GLU A 19 4.799 6.202 2.698 1.00 0.00 O ATOM 319 OE2 GLU A 19 6.030 4.448 3.147 1.00 0.00 O ATOM 0 H GLU A 19 1.715 3.166 0.794 1.00 0.00 H new ATOM 0 HA GLU A 19 3.264 4.056 -1.567 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.202 4.263 -0.027 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.961 5.486 0.162 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.075 4.269 2.141 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.336 3.066 1.957 1.00 0.00 H new ATOM 326 N TYR A 20 4.152 1.793 -1.865 1.00 0.00 N ATOM 327 CA TYR A 20 4.523 0.421 -2.159 1.00 0.00 C ATOM 328 C TYR A 20 5.987 0.173 -1.845 1.00 0.00 C ATOM 329 O TYR A 20 6.810 1.085 -1.898 1.00 0.00 O ATOM 330 CB TYR A 20 4.243 0.098 -3.633 1.00 0.00 C ATOM 331 CG TYR A 20 4.892 1.057 -4.613 1.00 0.00 C ATOM 332 CD1 TYR A 20 4.240 2.219 -5.012 1.00 0.00 C ATOM 333 CD2 TYR A 20 6.151 0.800 -5.141 1.00 0.00 C ATOM 334 CE1 TYR A 20 4.827 3.096 -5.905 1.00 0.00 C ATOM 335 CE2 TYR A 20 6.745 1.673 -6.034 1.00 0.00 C ATOM 336 CZ TYR A 20 6.079 2.820 -6.412 1.00 0.00 C ATOM 337 OH TYR A 20 6.667 3.692 -7.302 1.00 0.00 O ATOM 0 H TYR A 20 4.284 2.438 -2.644 1.00 0.00 H new ATOM 0 HA TYR A 20 3.920 -0.233 -1.529 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.593 -0.912 -3.845 1.00 0.00 H new ATOM 0 HB3 TYR A 20 3.165 0.103 -3.796 1.00 0.00 H new ATOM 0 HD1 TYR A 20 3.259 2.440 -4.618 1.00 0.00 H new ATOM 0 HD2 TYR A 20 6.675 -0.098 -4.849 1.00 0.00 H new ATOM 0 HE1 TYR A 20 4.307 3.994 -6.204 1.00 0.00 H new ATOM 0 HE2 TYR A 20 7.725 1.458 -6.433 1.00 0.00 H new ATOM 0 HH TYR A 20 7.548 3.350 -7.561 1.00 0.00 H new ATOM 347 N HIS A 21 6.303 -1.062 -1.504 1.00 0.00 N ATOM 348 CA HIS A 21 7.684 -1.466 -1.332 1.00 0.00 C ATOM 349 C HIS A 21 7.933 -2.733 -2.136 1.00 0.00 C ATOM 350 O HIS A 21 7.105 -3.649 -2.130 1.00 0.00 O ATOM 351 CB HIS A 21 8.041 -1.657 0.157 1.00 0.00 C ATOM 352 CG HIS A 21 7.401 -2.842 0.834 1.00 0.00 C ATOM 353 ND1 HIS A 21 8.131 -3.814 1.485 1.00 0.00 N ATOM 354 CD2 HIS A 21 6.099 -3.196 0.987 1.00 0.00 C ATOM 355 CE1 HIS A 21 7.313 -4.711 2.001 1.00 0.00 C ATOM 356 NE2 HIS A 21 6.074 -4.361 1.716 1.00 0.00 N ATOM 0 H HIS A 21 5.621 -1.803 -1.341 1.00 0.00 H new ATOM 0 HA HIS A 21 8.335 -0.675 -1.703 1.00 0.00 H new ATOM 0 HB2 HIS A 21 9.123 -1.753 0.243 1.00 0.00 H new ATOM 0 HB3 HIS A 21 7.757 -0.755 0.699 1.00 0.00 H new ATOM 0 HD1 HIS A 21 9.148 -3.836 1.557 1.00 0.00 H new ATOM 0 HD2 HIS A 21 5.242 -2.661 0.606 1.00 0.00 H new ATOM 0 HE1 HIS A 21 7.608 -5.585 2.562 1.00 0.00 H new ATOM 365 N GLN A 22 9.053 -2.767 -2.845 1.00 0.00 N ATOM 366 CA GLN A 22 9.381 -3.881 -3.731 1.00 0.00 C ATOM 367 C GLN A 22 9.674 -5.163 -2.952 1.00 0.00 C ATOM 368 O GLN A 22 9.375 -5.258 -1.758 1.00 0.00 O ATOM 369 CB GLN A 22 10.572 -3.509 -4.619 1.00 0.00 C ATOM 370 CG GLN A 22 10.182 -2.871 -5.947 1.00 0.00 C ATOM 371 CD GLN A 22 9.224 -1.704 -5.796 1.00 0.00 C ATOM 372 OE1 GLN A 22 9.644 -0.564 -5.607 1.00 0.00 O ATOM 373 NE2 GLN A 22 7.931 -1.973 -5.907 1.00 0.00 N ATOM 0 H GLN A 22 9.757 -2.029 -2.824 1.00 0.00 H new ATOM 0 HA GLN A 22 8.511 -4.076 -4.358 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.218 -2.821 -4.073 1.00 0.00 H new ATOM 0 HB3 GLN A 22 11.158 -4.406 -4.817 1.00 0.00 H new ATOM 0 HG2 GLN A 22 11.083 -2.528 -6.456 1.00 0.00 H new ATOM 0 HG3 GLN A 22 9.724 -3.627 -6.585 1.00 0.00 H new ATOM 0 HE21 GLN A 22 7.621 -2.932 -6.064 1.00 0.00 H new ATOM 0 HE22 GLN A 22 7.246 -1.221 -5.836 1.00 0.00 H new ATOM 382 N ASP A 23 10.226 -6.154 -3.659 1.00 0.00 N ATOM 383 CA ASP A 23 10.542 -7.472 -3.099 1.00 0.00 C ATOM 384 C ASP A 23 9.274 -8.305 -2.909 1.00 0.00 C ATOM 385 O ASP A 23 9.164 -9.409 -3.451 1.00 0.00 O ATOM 386 CB ASP A 23 11.316 -7.353 -1.784 1.00 0.00 C ATOM 387 CG ASP A 23 11.658 -8.700 -1.185 1.00 0.00 C ATOM 388 OD1 ASP A 23 12.676 -9.299 -1.593 1.00 0.00 O ATOM 389 OD2 ASP A 23 10.912 -9.164 -0.302 1.00 0.00 O ATOM 0 H ASP A 23 10.468 -6.063 -4.646 1.00 0.00 H new ATOM 0 HA ASP A 23 11.184 -7.986 -3.815 1.00 0.00 H new ATOM 0 HB2 ASP A 23 12.235 -6.793 -1.957 1.00 0.00 H new ATOM 0 HB3 ASP A 23 10.724 -6.781 -1.069 1.00 0.00 H new ATOM 394 N LYS A 24 8.313 -7.775 -2.160 1.00 0.00 N ATOM 395 CA LYS A 24 7.037 -8.449 -1.966 1.00 0.00 C ATOM 396 C LYS A 24 5.935 -7.749 -2.752 1.00 0.00 C ATOM 397 O LYS A 24 4.856 -8.306 -2.944 1.00 0.00 O ATOM 398 CB LYS A 24 6.673 -8.512 -0.480 1.00 0.00 C ATOM 399 CG LYS A 24 7.616 -9.380 0.336 1.00 0.00 C ATOM 400 CD LYS A 24 7.100 -9.602 1.751 1.00 0.00 C ATOM 401 CE LYS A 24 8.010 -10.546 2.529 1.00 0.00 C ATOM 402 NZ LYS A 24 7.495 -10.847 3.895 1.00 0.00 N ATOM 0 H LYS A 24 8.395 -6.880 -1.678 1.00 0.00 H new ATOM 0 HA LYS A 24 7.135 -9.469 -2.338 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.674 -7.502 -0.070 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.658 -8.896 -0.378 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.744 -10.343 -0.159 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.598 -8.910 0.377 1.00 0.00 H new ATOM 0 HD2 LYS A 24 7.034 -8.646 2.271 1.00 0.00 H new ATOM 0 HD3 LYS A 24 6.092 -10.014 1.713 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.120 -11.477 1.974 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.003 -10.103 2.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 8.151 -11.492 4.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 7.414 -9.964 4.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.559 -11.295 3.822 1.00 0.00 H new ATOM 416 N GLN A 25 6.243 -6.542 -3.237 1.00 0.00 N ATOM 417 CA GLN A 25 5.289 -5.712 -3.978 1.00 0.00 C ATOM 418 C GLN A 25 4.005 -5.496 -3.176 1.00 0.00 C ATOM 419 O GLN A 25 2.900 -5.617 -3.704 1.00 0.00 O ATOM 420 CB GLN A 25 4.969 -6.351 -5.331 1.00 0.00 C ATOM 421 CG GLN A 25 6.202 -6.784 -6.113 1.00 0.00 C ATOM 422 CD GLN A 25 7.166 -5.650 -6.399 1.00 0.00 C ATOM 423 OE1 GLN A 25 6.778 -4.486 -6.490 1.00 0.00 O ATOM 424 NE2 GLN A 25 8.435 -5.988 -6.558 1.00 0.00 N ATOM 0 H GLN A 25 7.162 -6.113 -3.127 1.00 0.00 H new ATOM 0 HA GLN A 25 5.749 -4.738 -4.146 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.329 -7.219 -5.170 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.400 -5.642 -5.932 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.723 -7.561 -5.553 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.886 -7.229 -7.057 1.00 0.00 H new ATOM 0 HE21 GLN A 25 8.717 -6.965 -6.475 1.00 0.00 H new ATOM 0 HE22 GLN A 25 9.132 -5.272 -6.764 1.00 0.00 H new ATOM 433 N GLU A 26 4.165 -5.158 -1.905 1.00 0.00 N ATOM 434 CA GLU A 26 3.026 -4.985 -1.008 1.00 0.00 C ATOM 435 C GLU A 26 2.656 -3.510 -0.827 1.00 0.00 C ATOM 436 O GLU A 26 3.534 -2.643 -0.730 1.00 0.00 O ATOM 437 CB GLU A 26 3.347 -5.591 0.358 1.00 0.00 C ATOM 438 CG GLU A 26 3.558 -7.095 0.338 1.00 0.00 C ATOM 439 CD GLU A 26 2.268 -7.868 0.169 1.00 0.00 C ATOM 440 OE1 GLU A 26 1.580 -8.112 1.186 1.00 0.00 O ATOM 441 OE2 GLU A 26 1.948 -8.258 -0.968 1.00 0.00 O ATOM 0 H GLU A 26 5.073 -4.997 -1.469 1.00 0.00 H new ATOM 0 HA GLU A 26 2.175 -5.495 -1.460 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.245 -5.115 0.752 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.534 -5.359 1.046 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.238 -7.351 -0.475 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.041 -7.402 1.266 1.00 0.00 H new ATOM 448 N LEU A 27 1.356 -3.245 -0.774 1.00 0.00 N ATOM 449 CA LEU A 27 0.834 -1.920 -0.451 1.00 0.00 C ATOM 450 C LEU A 27 0.406 -1.885 1.013 1.00 0.00 C ATOM 451 O LEU A 27 -0.409 -2.700 1.436 1.00 0.00 O ATOM 452 CB LEU A 27 -0.373 -1.584 -1.335 1.00 0.00 C ATOM 453 CG LEU A 27 -0.086 -1.440 -2.830 1.00 0.00 C ATOM 454 CD1 LEU A 27 -1.388 -1.281 -3.600 1.00 0.00 C ATOM 455 CD2 LEU A 27 0.826 -0.250 -3.085 1.00 0.00 C ATOM 0 H LEU A 27 0.633 -3.942 -0.954 1.00 0.00 H new ATOM 0 HA LEU A 27 1.619 -1.185 -0.630 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.124 -2.363 -1.202 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.813 -0.653 -0.978 1.00 0.00 H new ATOM 0 HG LEU A 27 0.419 -2.342 -3.176 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.172 -1.179 -4.663 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.015 -2.158 -3.440 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.912 -0.392 -3.250 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.020 -0.163 -4.154 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.345 0.660 -2.728 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.768 -0.394 -2.556 1.00 0.00 H new ATOM 467 N TRP A 28 0.943 -0.948 1.780 1.00 0.00 N ATOM 468 CA TRP A 28 0.636 -0.869 3.206 1.00 0.00 C ATOM 469 C TRP A 28 -0.334 0.264 3.505 1.00 0.00 C ATOM 470 O TRP A 28 -0.140 1.393 3.056 1.00 0.00 O ATOM 471 CB TRP A 28 1.920 -0.685 4.019 1.00 0.00 C ATOM 472 CG TRP A 28 2.644 -1.970 4.291 1.00 0.00 C ATOM 473 CD1 TRP A 28 2.422 -3.180 3.697 1.00 0.00 C ATOM 474 CD2 TRP A 28 3.701 -2.175 5.238 1.00 0.00 C ATOM 475 NE1 TRP A 28 3.270 -4.124 4.218 1.00 0.00 N ATOM 476 CE2 TRP A 28 4.066 -3.532 5.165 1.00 0.00 C ATOM 477 CE3 TRP A 28 4.371 -1.345 6.139 1.00 0.00 C ATOM 478 CZ2 TRP A 28 5.074 -4.075 5.959 1.00 0.00 C ATOM 479 CZ3 TRP A 28 5.371 -1.885 6.927 1.00 0.00 C ATOM 480 CH2 TRP A 28 5.713 -3.238 6.831 1.00 0.00 C ATOM 0 H TRP A 28 1.590 -0.234 1.445 1.00 0.00 H new ATOM 0 HA TRP A 28 0.160 -1.807 3.493 1.00 0.00 H new ATOM 0 HB2 TRP A 28 2.586 -0.008 3.484 1.00 0.00 H new ATOM 0 HB3 TRP A 28 1.675 -0.207 4.968 1.00 0.00 H new ATOM 0 HD1 TRP A 28 1.686 -3.366 2.929 1.00 0.00 H new ATOM 0 HE1 TRP A 28 3.303 -5.106 3.945 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.113 -0.299 6.219 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 5.341 -5.119 5.888 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 5.896 -1.252 7.627 1.00 0.00 H new ATOM 0 HH2 TRP A 28 6.499 -3.630 7.459 1.00 0.00 H new ATOM 491 N SER A 29 -1.374 -0.044 4.269 1.00 0.00 N ATOM 492 CA SER A 29 -2.366 0.947 4.643 1.00 0.00 C ATOM 493 C SER A 29 -2.692 0.858 6.134 1.00 0.00 C ATOM 494 O SER A 29 -3.151 -0.177 6.617 1.00 0.00 O ATOM 495 CB SER A 29 -3.639 0.752 3.815 1.00 0.00 C ATOM 496 OG SER A 29 -4.166 -0.557 3.966 1.00 0.00 O ATOM 0 H SER A 29 -1.550 -0.977 4.641 1.00 0.00 H new ATOM 0 HA SER A 29 -1.955 1.936 4.442 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.387 1.483 4.120 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.422 0.938 2.763 1.00 0.00 H new ATOM 0 HG SER A 29 -3.488 -1.138 4.370 1.00 0.00 H new ATOM 502 N ARG A 30 -2.455 1.942 6.862 1.00 0.00 N ATOM 503 CA ARG A 30 -2.795 1.991 8.281 1.00 0.00 C ATOM 504 C ARG A 30 -4.256 2.390 8.434 1.00 0.00 C ATOM 505 O ARG A 30 -4.926 2.012 9.395 1.00 0.00 O ATOM 506 CB ARG A 30 -1.874 2.971 9.027 1.00 0.00 C ATOM 507 CG ARG A 30 -2.042 2.945 10.541 1.00 0.00 C ATOM 508 CD ARG A 30 -2.884 4.108 11.039 1.00 0.00 C ATOM 509 NE ARG A 30 -3.226 3.965 12.454 1.00 0.00 N ATOM 510 CZ ARG A 30 -2.761 4.756 13.420 1.00 0.00 C ATOM 511 NH1 ARG A 30 -1.895 5.726 13.138 1.00 0.00 N ATOM 512 NH2 ARG A 30 -3.158 4.575 14.673 1.00 0.00 N ATOM 0 H ARG A 30 -2.031 2.795 6.497 1.00 0.00 H new ATOM 0 HA ARG A 30 -2.649 1.005 8.721 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.838 2.738 8.782 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.067 3.982 8.667 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.509 2.006 10.838 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -1.061 2.978 11.015 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.340 5.041 10.889 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -3.798 4.174 10.449 1.00 0.00 H new ATOM 0 HE ARG A 30 -3.861 3.212 12.718 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.583 5.868 12.177 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -1.543 6.328 13.883 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -3.819 3.831 14.896 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -2.802 5.180 15.413 1.00 0.00 H new ATOM 526 N GLN A 31 -4.746 3.128 7.447 1.00 0.00 N ATOM 527 CA GLN A 31 -6.114 3.598 7.418 1.00 0.00 C ATOM 528 C GLN A 31 -7.101 2.447 7.214 1.00 0.00 C ATOM 529 O GLN A 31 -8.292 2.590 7.480 1.00 0.00 O ATOM 530 CB GLN A 31 -6.276 4.632 6.298 1.00 0.00 C ATOM 531 CG GLN A 31 -5.967 4.108 4.898 1.00 0.00 C ATOM 532 CD GLN A 31 -4.503 4.242 4.504 1.00 0.00 C ATOM 533 OE1 GLN A 31 -3.605 4.214 5.343 1.00 0.00 O ATOM 534 NE2 GLN A 31 -4.256 4.363 3.212 1.00 0.00 N ATOM 0 H GLN A 31 -4.195 3.417 6.639 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.336 4.058 8.381 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -7.299 5.007 6.313 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -5.623 5.479 6.507 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.255 3.058 4.841 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.580 4.646 4.175 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.027 4.382 2.545 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -3.294 4.437 2.881 1.00 0.00 H new ATOM 543 N ALA A 32 -6.607 1.311 6.730 1.00 0.00 N ATOM 544 CA ALA A 32 -7.450 0.144 6.523 1.00 0.00 C ATOM 545 C ALA A 32 -6.942 -1.038 7.340 1.00 0.00 C ATOM 546 O ALA A 32 -7.628 -2.053 7.476 1.00 0.00 O ATOM 547 CB ALA A 32 -7.501 -0.212 5.043 1.00 0.00 C ATOM 0 H ALA A 32 -5.629 1.177 6.475 1.00 0.00 H new ATOM 0 HA ALA A 32 -8.459 0.381 6.860 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -8.135 -1.087 4.901 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -7.910 0.627 4.481 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.495 -0.431 4.687 1.00 0.00 H new ATOM 553 N LYS A 33 -5.730 -0.884 7.884 1.00 0.00 N ATOM 554 CA LYS A 33 -5.070 -1.932 8.666 1.00 0.00 C ATOM 555 C LYS A 33 -4.838 -3.178 7.817 1.00 0.00 C ATOM 556 O LYS A 33 -4.769 -4.296 8.335 1.00 0.00 O ATOM 557 CB LYS A 33 -5.892 -2.283 9.914 1.00 0.00 C ATOM 558 CG LYS A 33 -6.105 -1.106 10.851 1.00 0.00 C ATOM 559 CD LYS A 33 -6.843 -1.511 12.117 1.00 0.00 C ATOM 560 CE LYS A 33 -6.057 -2.535 12.918 1.00 0.00 C ATOM 561 NZ LYS A 33 -6.601 -2.700 14.291 1.00 0.00 N ATOM 0 H LYS A 33 -5.180 -0.030 7.794 1.00 0.00 H new ATOM 0 HA LYS A 33 -4.102 -1.549 8.988 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.862 -2.670 9.603 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.389 -3.083 10.457 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.140 -0.675 11.116 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.670 -0.330 10.335 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.025 -0.629 12.731 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.818 -1.923 11.855 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.078 -3.494 12.401 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.013 -2.227 12.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.037 -3.407 14.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.557 -1.790 14.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.590 -3.018 14.237 1.00 0.00 H new ATOM 575 N LEU A 34 -4.690 -2.975 6.515 1.00 0.00 N ATOM 576 CA LEU A 34 -4.507 -4.080 5.591 1.00 0.00 C ATOM 577 C LEU A 34 -3.298 -3.850 4.699 1.00 0.00 C ATOM 578 O LEU A 34 -2.686 -2.777 4.711 1.00 0.00 O ATOM 579 CB LEU A 34 -5.748 -4.255 4.709 1.00 0.00 C ATOM 580 CG LEU A 34 -7.067 -4.488 5.449 1.00 0.00 C ATOM 581 CD1 LEU A 34 -8.228 -4.475 4.470 1.00 0.00 C ATOM 582 CD2 LEU A 34 -7.032 -5.804 6.207 1.00 0.00 C ATOM 0 H LEU A 34 -4.693 -2.054 6.077 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.349 -4.980 6.184 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.855 -3.367 4.086 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.577 -5.096 4.038 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.205 -3.681 6.169 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -9.160 -4.642 5.009 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.268 -3.509 3.966 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -8.090 -5.264 3.731 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.979 -5.950 6.726 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -6.872 -6.623 5.506 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.220 -5.784 6.933 1.00 0.00 H new ATOM 594 N ALA A 35 -2.987 -4.865 3.915 1.00 0.00 N ATOM 595 CA ALA A 35 -1.918 -4.810 2.940 1.00 0.00 C ATOM 596 C ALA A 35 -2.379 -5.481 1.658 1.00 0.00 C ATOM 597 O ALA A 35 -2.936 -6.582 1.693 1.00 0.00 O ATOM 598 CB ALA A 35 -0.664 -5.488 3.469 1.00 0.00 C ATOM 0 H ALA A 35 -3.476 -5.760 3.939 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.673 -3.767 2.740 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.124 -5.433 2.718 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.334 -4.985 4.378 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.881 -6.533 3.691 1.00 0.00 H new ATOM 604 N TYR A 36 -2.174 -4.817 0.536 1.00 0.00 N ATOM 605 CA TYR A 36 -2.624 -5.346 -0.740 1.00 0.00 C ATOM 606 C TYR A 36 -1.436 -5.837 -1.558 1.00 0.00 C ATOM 607 O TYR A 36 -0.368 -5.225 -1.535 1.00 0.00 O ATOM 608 CB TYR A 36 -3.380 -4.267 -1.524 1.00 0.00 C ATOM 609 CG TYR A 36 -4.513 -3.623 -0.753 1.00 0.00 C ATOM 610 CD1 TYR A 36 -5.681 -4.324 -0.480 1.00 0.00 C ATOM 611 CD2 TYR A 36 -4.414 -2.311 -0.302 1.00 0.00 C ATOM 612 CE1 TYR A 36 -6.717 -3.736 0.220 1.00 0.00 C ATOM 613 CE2 TYR A 36 -5.447 -1.718 0.400 1.00 0.00 C ATOM 614 CZ TYR A 36 -6.595 -2.436 0.658 1.00 0.00 C ATOM 615 OH TYR A 36 -7.627 -1.849 1.353 1.00 0.00 O ATOM 0 H TYR A 36 -1.701 -3.915 0.481 1.00 0.00 H new ATOM 0 HA TYR A 36 -3.294 -6.184 -0.549 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -2.675 -3.493 -1.828 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -3.781 -4.709 -2.436 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -5.781 -5.344 -0.820 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -3.516 -1.746 -0.503 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -7.619 -4.294 0.423 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -5.355 -0.698 0.744 1.00 0.00 H new ATOM 0 HH TYR A 36 -7.381 -0.931 1.590 1.00 0.00 H new ATOM 625 N PRO A 37 -1.609 -6.945 -2.286 1.00 0.00 N ATOM 626 CA PRO A 37 -0.578 -7.482 -3.160 1.00 0.00 C ATOM 627 C PRO A 37 -0.643 -6.906 -4.572 1.00 0.00 C ATOM 628 O PRO A 37 -1.726 -6.683 -5.126 1.00 0.00 O ATOM 629 CB PRO A 37 -0.890 -8.977 -3.172 1.00 0.00 C ATOM 630 CG PRO A 37 -2.363 -9.081 -2.929 1.00 0.00 C ATOM 631 CD PRO A 37 -2.812 -7.790 -2.282 1.00 0.00 C ATOM 0 HA PRO A 37 0.426 -7.238 -2.811 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.617 -9.427 -4.127 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.327 -9.501 -2.400 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.895 -9.245 -3.866 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.586 -9.931 -2.283 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.625 -7.327 -2.841 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.177 -7.958 -1.269 1.00 0.00 H new ATOM 639 N ILE A 38 0.522 -6.647 -5.139 1.00 0.00 N ATOM 640 CA ILE A 38 0.624 -6.169 -6.507 1.00 0.00 C ATOM 641 C ILE A 38 1.209 -7.255 -7.402 1.00 0.00 C ATOM 642 O ILE A 38 2.293 -7.776 -7.132 1.00 0.00 O ATOM 643 CB ILE A 38 1.508 -4.901 -6.583 1.00 0.00 C ATOM 644 CG1 ILE A 38 0.809 -3.722 -5.897 1.00 0.00 C ATOM 645 CG2 ILE A 38 1.852 -4.554 -8.026 1.00 0.00 C ATOM 646 CD1 ILE A 38 -0.281 -3.088 -6.726 1.00 0.00 C ATOM 0 H ILE A 38 1.419 -6.761 -4.668 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.378 -5.917 -6.853 1.00 0.00 H new ATOM 0 HB ILE A 38 2.441 -5.108 -6.059 1.00 0.00 H new ATOM 0 HG12 ILE A 38 0.382 -4.065 -4.955 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.553 -2.964 -5.653 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.474 -3.659 -8.047 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.395 -5.383 -8.480 1.00 0.00 H new ATOM 0 HG23 ILE A 38 0.934 -4.371 -8.585 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.726 -2.262 -6.171 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.142 -2.713 -7.658 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.047 -3.831 -6.949 1.00 0.00 H new ATOM 658 N LYS A 39 0.490 -7.610 -8.457 1.00 0.00 N ATOM 659 CA LYS A 39 1.003 -8.579 -9.411 1.00 0.00 C ATOM 660 C LYS A 39 1.471 -7.870 -10.677 1.00 0.00 C ATOM 661 O LYS A 39 0.705 -7.708 -11.628 1.00 0.00 O ATOM 662 CB LYS A 39 -0.049 -9.642 -9.747 1.00 0.00 C ATOM 663 CG LYS A 39 0.506 -10.807 -10.551 1.00 0.00 C ATOM 664 CD LYS A 39 -0.551 -11.872 -10.798 1.00 0.00 C ATOM 665 CE LYS A 39 0.036 -13.104 -11.475 1.00 0.00 C ATOM 666 NZ LYS A 39 0.566 -12.806 -12.830 1.00 0.00 N ATOM 0 H LYS A 39 -0.439 -7.246 -8.672 1.00 0.00 H new ATOM 0 HA LYS A 39 1.852 -9.087 -8.955 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.480 -10.022 -8.821 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.859 -9.176 -10.308 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.886 -10.443 -11.505 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.350 -11.247 -10.019 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.006 -12.160 -9.850 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.345 -11.459 -11.420 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.836 -13.509 -10.856 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.731 -13.875 -11.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.877 -13.689 -13.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.180 -12.366 -13.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.373 -12.154 -12.752 1.00 0.00 H new ATOM 680 N ASP A 40 2.713 -7.383 -10.637 1.00 0.00 N ATOM 681 CA ASP A 40 3.366 -6.753 -11.792 1.00 0.00 C ATOM 682 C ASP A 40 2.593 -5.523 -12.280 1.00 0.00 C ATOM 683 O ASP A 40 2.713 -5.111 -13.431 1.00 0.00 O ATOM 684 CB ASP A 40 3.520 -7.774 -12.927 1.00 0.00 C ATOM 685 CG ASP A 40 4.557 -7.363 -13.956 1.00 0.00 C ATOM 686 OD1 ASP A 40 5.756 -7.322 -13.607 1.00 0.00 O ATOM 687 OD2 ASP A 40 4.188 -7.103 -15.121 1.00 0.00 O ATOM 0 H ASP A 40 3.298 -7.413 -9.802 1.00 0.00 H new ATOM 0 HA ASP A 40 4.353 -6.414 -11.476 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.798 -8.740 -12.505 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.558 -7.907 -13.422 1.00 0.00 H new ATOM 692 N GLY A 41 1.821 -4.922 -11.388 1.00 0.00 N ATOM 693 CA GLY A 41 1.039 -3.755 -11.754 1.00 0.00 C ATOM 694 C GLY A 41 -0.449 -3.993 -11.609 1.00 0.00 C ATOM 695 O GLY A 41 -1.256 -3.099 -11.862 1.00 0.00 O ATOM 0 H GLY A 41 1.720 -5.219 -10.417 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.333 -2.912 -11.128 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.262 -3.479 -12.785 1.00 0.00 H new ATOM 699 N ILE A 42 -0.807 -5.208 -11.219 1.00 0.00 N ATOM 700 CA ILE A 42 -2.201 -5.574 -10.984 1.00 0.00 C ATOM 701 C ILE A 42 -2.487 -5.679 -9.484 1.00 0.00 C ATOM 702 O ILE A 42 -2.249 -6.721 -8.871 1.00 0.00 O ATOM 703 CB ILE A 42 -2.578 -6.905 -11.677 1.00 0.00 C ATOM 704 CG1 ILE A 42 -2.338 -6.818 -13.190 1.00 0.00 C ATOM 705 CG2 ILE A 42 -4.034 -7.268 -11.392 1.00 0.00 C ATOM 706 CD1 ILE A 42 -3.162 -5.750 -13.884 1.00 0.00 C ATOM 0 H ILE A 42 -0.145 -5.966 -11.056 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.813 -4.783 -11.417 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.939 -7.689 -11.271 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.281 -6.621 -13.369 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.563 -7.785 -13.640 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.279 -8.207 -11.888 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.178 -7.377 -10.317 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.686 -6.479 -11.767 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.936 -5.752 -14.950 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.222 -5.956 -13.738 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.921 -4.774 -13.463 1.00 0.00 H new ATOM 718 N PRO A 43 -2.914 -4.573 -8.853 1.00 0.00 N ATOM 719 CA PRO A 43 -3.248 -4.562 -7.426 1.00 0.00 C ATOM 720 C PRO A 43 -4.450 -5.455 -7.117 1.00 0.00 C ATOM 721 O PRO A 43 -5.501 -5.333 -7.748 1.00 0.00 O ATOM 722 CB PRO A 43 -3.598 -3.097 -7.146 1.00 0.00 C ATOM 723 CG PRO A 43 -3.969 -2.527 -8.474 1.00 0.00 C ATOM 724 CD PRO A 43 -3.135 -3.258 -9.484 1.00 0.00 C ATOM 0 HA PRO A 43 -2.430 -4.941 -6.814 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -4.423 -3.017 -6.438 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -2.752 -2.565 -6.711 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -5.032 -2.663 -8.674 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.772 -1.455 -8.508 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -3.651 -3.352 -10.440 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.195 -2.742 -9.679 1.00 0.00 H new ATOM 732 N TYR A 44 -4.301 -6.351 -6.155 1.00 0.00 N ATOM 733 CA TYR A 44 -5.393 -7.230 -5.771 1.00 0.00 C ATOM 734 C TYR A 44 -5.988 -6.798 -4.440 1.00 0.00 C ATOM 735 O TYR A 44 -5.665 -7.344 -3.388 1.00 0.00 O ATOM 736 CB TYR A 44 -4.940 -8.691 -5.701 1.00 0.00 C ATOM 737 CG TYR A 44 -4.789 -9.350 -7.053 1.00 0.00 C ATOM 738 CD1 TYR A 44 -5.873 -9.454 -7.913 1.00 0.00 C ATOM 739 CD2 TYR A 44 -3.570 -9.870 -7.468 1.00 0.00 C ATOM 740 CE1 TYR A 44 -5.749 -10.057 -9.148 1.00 0.00 C ATOM 741 CE2 TYR A 44 -3.437 -10.477 -8.703 1.00 0.00 C ATOM 742 CZ TYR A 44 -4.531 -10.568 -9.539 1.00 0.00 C ATOM 743 OH TYR A 44 -4.409 -11.175 -10.770 1.00 0.00 O ATOM 0 H TYR A 44 -3.439 -6.488 -5.628 1.00 0.00 H new ATOM 0 HA TYR A 44 -6.161 -7.154 -6.540 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -3.987 -8.741 -5.175 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -5.660 -9.257 -5.110 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.830 -9.056 -7.611 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.712 -9.799 -6.816 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -6.603 -10.128 -9.805 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.483 -10.878 -9.012 1.00 0.00 H new ATOM 0 HH TYR A 44 -3.486 -11.481 -10.894 1.00 0.00 H new ATOM 753 N MET A 45 -6.845 -5.793 -4.499 1.00 0.00 N ATOM 754 CA MET A 45 -7.552 -5.299 -3.317 1.00 0.00 C ATOM 755 C MET A 45 -8.788 -6.153 -3.037 1.00 0.00 C ATOM 756 O MET A 45 -9.807 -5.660 -2.553 1.00 0.00 O ATOM 757 CB MET A 45 -7.963 -3.832 -3.511 1.00 0.00 C ATOM 758 CG MET A 45 -8.924 -3.601 -4.670 1.00 0.00 C ATOM 759 SD MET A 45 -8.136 -3.746 -6.284 1.00 0.00 S ATOM 760 CE MET A 45 -7.071 -2.304 -6.274 1.00 0.00 C ATOM 0 H MET A 45 -7.073 -5.295 -5.359 1.00 0.00 H new ATOM 0 HA MET A 45 -6.878 -5.366 -2.463 1.00 0.00 H new ATOM 0 HB2 MET A 45 -8.426 -3.472 -2.592 1.00 0.00 H new ATOM 0 HB3 MET A 45 -7.066 -3.233 -3.672 1.00 0.00 H new ATOM 0 HG2 MET A 45 -9.741 -4.320 -4.605 1.00 0.00 H new ATOM 0 HG3 MET A 45 -9.365 -2.609 -4.576 1.00 0.00 H new ATOM 0 HE1 MET A 45 -6.637 -2.165 -7.264 1.00 0.00 H new ATOM 0 HE2 MET A 45 -7.654 -1.423 -6.006 1.00 0.00 H new ATOM 0 HE3 MET A 45 -6.273 -2.446 -5.545 1.00 0.00 H new ATOM 770 N LEU A 46 -8.678 -7.439 -3.323 1.00 0.00 N ATOM 771 CA LEU A 46 -9.791 -8.358 -3.192 1.00 0.00 C ATOM 772 C LEU A 46 -9.810 -8.980 -1.802 1.00 0.00 C ATOM 773 O LEU A 46 -8.760 -9.201 -1.206 1.00 0.00 O ATOM 774 CB LEU A 46 -9.684 -9.437 -4.264 1.00 0.00 C ATOM 775 CG LEU A 46 -9.637 -8.910 -5.697 1.00 0.00 C ATOM 776 CD1 LEU A 46 -9.575 -10.056 -6.687 1.00 0.00 C ATOM 777 CD2 LEU A 46 -10.840 -8.026 -5.976 1.00 0.00 C ATOM 0 H LEU A 46 -7.815 -7.873 -3.652 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.725 -7.813 -3.327 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.786 -10.027 -4.078 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.534 -10.112 -4.167 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.734 -8.311 -5.814 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.542 -9.659 -7.702 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -8.680 -10.650 -6.501 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.458 -10.685 -6.572 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -10.792 -7.659 -7.001 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -11.755 -8.603 -5.840 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.838 -7.181 -5.287 1.00 0.00 H new ATOM 789 N GLU A 47 -11.009 -9.270 -1.307 1.00 0.00 N ATOM 790 CA GLU A 47 -11.203 -9.774 0.055 1.00 0.00 C ATOM 791 C GLU A 47 -10.315 -10.976 0.359 1.00 0.00 C ATOM 792 O GLU A 47 -9.725 -11.071 1.434 1.00 0.00 O ATOM 793 CB GLU A 47 -12.663 -10.179 0.264 1.00 0.00 C ATOM 794 CG GLU A 47 -13.669 -9.122 -0.154 1.00 0.00 C ATOM 795 CD GLU A 47 -13.385 -7.761 0.444 1.00 0.00 C ATOM 796 OE1 GLU A 47 -13.495 -7.612 1.680 1.00 0.00 O ATOM 797 OE2 GLU A 47 -13.072 -6.833 -0.322 1.00 0.00 O ATOM 0 H GLU A 47 -11.875 -9.164 -1.835 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.929 -8.965 0.732 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -12.859 -11.093 -0.297 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -12.816 -10.413 1.317 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -13.671 -9.041 -1.241 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -14.668 -9.442 0.144 1.00 0.00 H new ATOM 804 N ASN A 48 -10.231 -11.889 -0.594 1.00 0.00 N ATOM 805 CA ASN A 48 -9.527 -13.149 -0.395 1.00 0.00 C ATOM 806 C ASN A 48 -8.014 -12.963 -0.379 1.00 0.00 C ATOM 807 O ASN A 48 -7.294 -13.674 0.323 1.00 0.00 O ATOM 808 CB ASN A 48 -9.920 -14.131 -1.501 1.00 0.00 C ATOM 809 CG ASN A 48 -9.325 -15.512 -1.314 1.00 0.00 C ATOM 810 OD1 ASN A 48 -8.237 -15.807 -1.813 1.00 0.00 O ATOM 811 ND2 ASN A 48 -10.046 -16.372 -0.615 1.00 0.00 N ATOM 0 H ASN A 48 -10.644 -11.782 -1.520 1.00 0.00 H new ATOM 0 HA ASN A 48 -9.817 -13.545 0.578 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -11.006 -14.213 -1.536 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -9.599 -13.732 -2.463 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -9.707 -17.323 -0.471 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -10.941 -16.084 -0.220 1.00 0.00 H new ATOM 818 N GLU A 49 -7.536 -11.995 -1.138 1.00 0.00 N ATOM 819 CA GLU A 49 -6.103 -11.829 -1.342 1.00 0.00 C ATOM 820 C GLU A 49 -5.526 -10.703 -0.488 1.00 0.00 C ATOM 821 O GLU A 49 -4.313 -10.626 -0.288 1.00 0.00 O ATOM 822 CB GLU A 49 -5.831 -11.590 -2.824 1.00 0.00 C ATOM 823 CG GLU A 49 -6.272 -12.758 -3.685 1.00 0.00 C ATOM 824 CD GLU A 49 -6.103 -12.505 -5.164 1.00 0.00 C ATOM 825 OE1 GLU A 49 -4.986 -12.728 -5.686 1.00 0.00 O ATOM 826 OE2 GLU A 49 -7.093 -12.104 -5.813 1.00 0.00 O ATOM 0 H GLU A 49 -8.115 -11.311 -1.624 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.602 -12.743 -1.023 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -6.351 -10.688 -3.146 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.766 -11.414 -2.972 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.699 -13.643 -3.407 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.319 -12.978 -3.478 1.00 0.00 H new ATOM 833 N ALA A 50 -6.393 -9.838 0.019 1.00 0.00 N ATOM 834 CA ALA A 50 -5.966 -8.760 0.899 1.00 0.00 C ATOM 835 C ALA A 50 -5.755 -9.284 2.313 1.00 0.00 C ATOM 836 O ALA A 50 -6.642 -9.908 2.895 1.00 0.00 O ATOM 837 CB ALA A 50 -6.983 -7.631 0.892 1.00 0.00 C ATOM 0 H ALA A 50 -7.396 -9.862 -0.164 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.018 -8.367 0.532 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.647 -6.834 1.556 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.086 -7.241 -0.120 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.947 -8.007 1.236 1.00 0.00 H new ATOM 843 N ARG A 51 -4.578 -9.028 2.860 1.00 0.00 N ATOM 844 CA ARG A 51 -4.218 -9.525 4.173 1.00 0.00 C ATOM 845 C ARG A 51 -4.089 -8.376 5.157 1.00 0.00 C ATOM 846 O ARG A 51 -3.736 -7.267 4.770 1.00 0.00 O ATOM 847 CB ARG A 51 -2.908 -10.332 4.123 1.00 0.00 C ATOM 848 CG ARG A 51 -1.783 -9.721 3.286 1.00 0.00 C ATOM 849 CD ARG A 51 -2.021 -9.927 1.797 1.00 0.00 C ATOM 850 NE ARG A 51 -0.802 -9.808 1.001 1.00 0.00 N ATOM 851 CZ ARG A 51 -0.447 -10.705 0.085 1.00 0.00 C ATOM 852 NH1 ARG A 51 -1.222 -11.763 -0.140 1.00 0.00 N ATOM 853 NH2 ARG A 51 0.655 -10.531 -0.626 1.00 0.00 N ATOM 0 H ARG A 51 -3.851 -8.473 2.408 1.00 0.00 H new ATOM 0 HA ARG A 51 -5.013 -10.191 4.509 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.546 -10.465 5.142 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.129 -11.325 3.731 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.707 -8.655 3.499 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.832 -10.171 3.569 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -2.457 -10.913 1.638 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.750 -9.196 1.447 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.196 -9.002 1.154 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -2.085 -11.884 0.389 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.953 -12.453 -0.842 1.00 0.00 H new ATOM 0 HH21 ARG A 51 1.236 -9.707 -0.473 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.924 -11.221 -1.327 1.00 0.00 H new ATOM 867 N PRO A 52 -4.406 -8.615 6.435 1.00 0.00 N ATOM 868 CA PRO A 52 -4.262 -7.602 7.477 1.00 0.00 C ATOM 869 C PRO A 52 -2.811 -7.405 7.896 1.00 0.00 C ATOM 870 O PRO A 52 -1.965 -8.274 7.673 1.00 0.00 O ATOM 871 CB PRO A 52 -5.078 -8.166 8.636 1.00 0.00 C ATOM 872 CG PRO A 52 -5.046 -9.645 8.446 1.00 0.00 C ATOM 873 CD PRO A 52 -4.945 -9.885 6.962 1.00 0.00 C ATOM 0 HA PRO A 52 -4.597 -6.621 7.140 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -4.648 -7.882 9.597 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -6.100 -7.788 8.620 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.196 -10.085 8.969 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -5.945 -10.108 8.853 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.286 -10.723 6.736 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.917 -10.118 6.527 1.00 0.00 H new ATOM 881 N LEU A 53 -2.534 -6.263 8.501 1.00 0.00 N ATOM 882 CA LEU A 53 -1.212 -5.962 8.995 1.00 0.00 C ATOM 883 C LEU A 53 -1.145 -6.211 10.484 1.00 0.00 C ATOM 884 O LEU A 53 -2.161 -6.166 11.180 1.00 0.00 O ATOM 885 CB LEU A 53 -0.848 -4.508 8.713 1.00 0.00 C ATOM 886 CG LEU A 53 -0.466 -4.198 7.272 1.00 0.00 C ATOM 887 CD1 LEU A 53 -0.214 -2.709 7.089 1.00 0.00 C ATOM 888 CD2 LEU A 53 0.759 -4.997 6.857 1.00 0.00 C ATOM 0 H LEU A 53 -3.219 -5.525 8.661 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.503 -6.612 8.482 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.694 -3.879 8.990 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.017 -4.227 9.360 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.300 -4.487 6.632 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.057 -2.511 6.052 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.118 -2.153 7.340 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.599 -2.394 7.743 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.015 -4.761 5.824 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.597 -4.742 7.506 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.545 -6.062 6.943 1.00 0.00 H new ATOM 900 N SER A 54 0.048 -6.469 10.968 1.00 0.00 N ATOM 901 CA SER A 54 0.250 -6.636 12.390 1.00 0.00 C ATOM 902 C SER A 54 0.473 -5.282 13.042 1.00 0.00 C ATOM 903 O SER A 54 0.726 -4.289 12.357 1.00 0.00 O ATOM 904 CB SER A 54 1.428 -7.569 12.681 1.00 0.00 C ATOM 905 OG SER A 54 2.585 -7.198 11.947 1.00 0.00 O ATOM 0 H SER A 54 0.890 -6.568 10.402 1.00 0.00 H new ATOM 0 HA SER A 54 -0.646 -7.094 12.810 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.652 -7.550 13.748 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.151 -8.593 12.431 1.00 0.00 H new ATOM 0 HG SER A 54 2.471 -7.451 11.007 1.00 0.00 H new ATOM 911 N GLU A 55 0.392 -5.252 14.360 1.00 0.00 N ATOM 912 CA GLU A 55 0.540 -4.032 15.117 1.00 0.00 C ATOM 913 C GLU A 55 1.893 -3.393 14.862 1.00 0.00 C ATOM 914 O GLU A 55 1.989 -2.182 14.707 1.00 0.00 O ATOM 915 CB GLU A 55 0.370 -4.332 16.596 1.00 0.00 C ATOM 916 CG GLU A 55 -1.079 -4.338 17.052 1.00 0.00 C ATOM 917 CD GLU A 55 -1.219 -4.337 18.558 1.00 0.00 C ATOM 918 OE1 GLU A 55 -1.111 -5.415 19.176 1.00 0.00 O ATOM 919 OE2 GLU A 55 -1.448 -3.255 19.134 1.00 0.00 O ATOM 0 H GLU A 55 0.221 -6.078 14.933 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.228 -3.327 14.798 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.815 -5.303 16.815 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.921 -3.591 17.174 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.587 -3.464 16.644 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.579 -5.217 16.646 1.00 0.00 H new ATOM 926 N GLU A 56 2.928 -4.219 14.840 1.00 0.00 N ATOM 927 CA GLU A 56 4.268 -3.787 14.505 1.00 0.00 C ATOM 928 C GLU A 56 4.276 -3.006 13.198 1.00 0.00 C ATOM 929 O GLU A 56 4.746 -1.871 13.139 1.00 0.00 O ATOM 930 CB GLU A 56 5.157 -5.015 14.368 1.00 0.00 C ATOM 931 CG GLU A 56 6.624 -4.685 14.304 1.00 0.00 C ATOM 932 CD GLU A 56 7.395 -5.614 13.386 1.00 0.00 C ATOM 933 OE1 GLU A 56 7.044 -6.810 13.296 1.00 0.00 O ATOM 934 OE2 GLU A 56 8.357 -5.146 12.740 1.00 0.00 O ATOM 0 H GLU A 56 2.857 -5.213 15.056 1.00 0.00 H new ATOM 0 HA GLU A 56 4.639 -3.134 15.295 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.978 -5.680 15.213 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.875 -5.560 13.467 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.746 -3.658 13.960 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.048 -4.738 15.307 1.00 0.00 H new ATOM 941 N GLU A 57 3.749 -3.636 12.161 1.00 0.00 N ATOM 942 CA GLU A 57 3.654 -3.037 10.843 1.00 0.00 C ATOM 943 C GLU A 57 2.836 -1.753 10.868 1.00 0.00 C ATOM 944 O GLU A 57 3.255 -0.731 10.334 1.00 0.00 O ATOM 945 CB GLU A 57 3.036 -4.058 9.906 1.00 0.00 C ATOM 946 CG GLU A 57 3.914 -5.285 9.741 1.00 0.00 C ATOM 947 CD GLU A 57 3.263 -6.388 8.940 1.00 0.00 C ATOM 948 OE1 GLU A 57 2.198 -6.878 9.365 1.00 0.00 O ATOM 949 OE2 GLU A 57 3.835 -6.803 7.911 1.00 0.00 O ATOM 0 H GLU A 57 3.373 -4.583 12.212 1.00 0.00 H new ATOM 0 HA GLU A 57 4.650 -2.762 10.495 1.00 0.00 H new ATOM 0 HB2 GLU A 57 2.061 -4.359 10.290 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.867 -3.600 8.932 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.844 -4.993 9.254 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.177 -5.669 10.727 1.00 0.00 H new ATOM 956 N LEU A 58 1.666 -1.831 11.480 1.00 0.00 N ATOM 957 CA LEU A 58 0.818 -0.663 11.706 1.00 0.00 C ATOM 958 C LEU A 58 1.583 0.478 12.378 1.00 0.00 C ATOM 959 O LEU A 58 1.474 1.636 11.970 1.00 0.00 O ATOM 960 CB LEU A 58 -0.372 -1.047 12.574 1.00 0.00 C ATOM 961 CG LEU A 58 -1.315 -2.075 11.960 1.00 0.00 C ATOM 962 CD1 LEU A 58 -2.405 -2.454 12.950 1.00 0.00 C ATOM 963 CD2 LEU A 58 -1.924 -1.542 10.671 1.00 0.00 C ATOM 0 H LEU A 58 1.274 -2.703 11.835 1.00 0.00 H new ATOM 0 HA LEU A 58 0.477 -0.314 10.731 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.000 -1.438 13.521 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.941 -0.146 12.803 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.740 -2.970 11.721 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.070 -3.189 12.496 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.952 -2.879 13.845 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.976 -1.566 13.220 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.594 -2.291 10.248 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.485 -0.632 10.883 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.130 -1.322 9.957 1.00 0.00 H new ATOM 975 N LYS A 59 2.343 0.147 13.413 1.00 0.00 N ATOM 976 CA LYS A 59 3.115 1.121 14.151 1.00 0.00 C ATOM 977 C LYS A 59 4.259 1.680 13.317 1.00 0.00 C ATOM 978 O LYS A 59 4.717 2.798 13.543 1.00 0.00 O ATOM 979 CB LYS A 59 3.652 0.467 15.417 1.00 0.00 C ATOM 980 CG LYS A 59 2.650 0.430 16.561 1.00 0.00 C ATOM 981 CD LYS A 59 3.210 -0.276 17.787 1.00 0.00 C ATOM 982 CE LYS A 59 3.534 -1.730 17.493 1.00 0.00 C ATOM 983 NZ LYS A 59 3.920 -2.477 18.717 1.00 0.00 N ATOM 0 H LYS A 59 2.438 -0.807 13.760 1.00 0.00 H new ATOM 0 HA LYS A 59 2.467 1.958 14.409 1.00 0.00 H new ATOM 0 HB2 LYS A 59 3.962 -0.552 15.185 1.00 0.00 H new ATOM 0 HB3 LYS A 59 4.542 1.005 15.743 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.366 1.448 16.827 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.743 -0.078 16.233 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.110 0.237 18.124 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.488 -0.221 18.601 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.668 -2.208 17.036 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.346 -1.780 16.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.132 -3.464 18.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.762 -2.038 19.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.136 -2.453 19.400 1.00 0.00 H new ATOM 997 N ALA A 60 4.701 0.904 12.343 1.00 0.00 N ATOM 998 CA ALA A 60 5.791 1.321 11.465 1.00 0.00 C ATOM 999 C ALA A 60 5.273 2.169 10.312 1.00 0.00 C ATOM 1000 O ALA A 60 5.978 2.428 9.336 1.00 0.00 O ATOM 1001 CB ALA A 60 6.551 0.112 10.944 1.00 0.00 C ATOM 0 H ALA A 60 4.324 -0.021 12.136 1.00 0.00 H new ATOM 0 HA ALA A 60 6.478 1.934 12.049 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.359 0.444 10.292 1.00 0.00 H new ATOM 0 HB2 ALA A 60 6.967 -0.445 11.783 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.872 -0.530 10.383 1.00 0.00 H new ATOM 1007 N LEU A 61 4.048 2.626 10.459 1.00 0.00 N ATOM 1008 CA LEU A 61 3.411 3.473 9.462 1.00 0.00 C ATOM 1009 C LEU A 61 3.238 4.880 10.010 1.00 0.00 C ATOM 1010 O LEU A 61 2.418 5.666 9.531 1.00 0.00 O ATOM 1011 CB LEU A 61 2.064 2.880 9.044 1.00 0.00 C ATOM 1012 CG LEU A 61 2.158 1.557 8.275 1.00 0.00 C ATOM 1013 CD1 LEU A 61 0.782 0.939 8.080 1.00 0.00 C ATOM 1014 CD2 LEU A 61 2.830 1.776 6.929 1.00 0.00 C ATOM 0 H LEU A 61 3.463 2.424 11.270 1.00 0.00 H new ATOM 0 HA LEU A 61 4.047 3.523 8.578 1.00 0.00 H new ATOM 0 HB2 LEU A 61 1.458 2.724 9.937 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.538 3.608 8.426 1.00 0.00 H new ATOM 0 HG LEU A 61 2.761 0.866 8.864 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.878 0.002 7.532 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.329 0.746 9.052 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.151 1.626 7.516 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.890 0.828 6.394 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.248 2.487 6.343 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.835 2.170 7.084 1.00 0.00 H new ATOM 1026 N GLU A 62 4.039 5.183 11.018 1.00 0.00 N ATOM 1027 CA GLU A 62 4.081 6.510 11.619 1.00 0.00 C ATOM 1028 C GLU A 62 4.719 7.503 10.651 1.00 0.00 C ATOM 1029 O GLU A 62 4.498 8.715 10.729 1.00 0.00 O ATOM 1030 CB GLU A 62 4.883 6.454 12.923 1.00 0.00 C ATOM 1031 CG GLU A 62 5.014 7.795 13.629 1.00 0.00 C ATOM 1032 CD GLU A 62 5.910 7.733 14.847 1.00 0.00 C ATOM 1033 OE1 GLU A 62 7.145 7.661 14.682 1.00 0.00 O ATOM 1034 OE2 GLU A 62 5.384 7.756 15.977 1.00 0.00 O ATOM 0 H GLU A 62 4.681 4.515 11.445 1.00 0.00 H new ATOM 0 HA GLU A 62 3.065 6.840 11.836 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.407 5.744 13.600 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.880 6.070 12.708 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.410 8.531 12.930 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.025 8.140 13.929 1.00 0.00 H new ATOM 1041 N HIS A 63 5.511 6.969 9.734 1.00 0.00 N ATOM 1042 CA HIS A 63 6.212 7.775 8.748 1.00 0.00 C ATOM 1043 C HIS A 63 6.442 6.956 7.491 1.00 0.00 C ATOM 1044 O HIS A 63 6.157 5.760 7.473 1.00 0.00 O ATOM 1045 CB HIS A 63 7.551 8.282 9.304 1.00 0.00 C ATOM 1046 CG HIS A 63 8.503 7.198 9.731 1.00 0.00 C ATOM 1047 ND1 HIS A 63 9.380 6.572 8.868 1.00 0.00 N ATOM 1048 CD2 HIS A 63 8.720 6.639 10.948 1.00 0.00 C ATOM 1049 CE1 HIS A 63 10.088 5.678 9.532 1.00 0.00 C ATOM 1050 NE2 HIS A 63 9.708 5.697 10.795 1.00 0.00 N ATOM 0 H HIS A 63 5.685 5.967 9.653 1.00 0.00 H new ATOM 0 HA HIS A 63 5.598 8.643 8.507 1.00 0.00 H new ATOM 0 HB2 HIS A 63 8.036 8.895 8.544 1.00 0.00 H new ATOM 0 HB3 HIS A 63 7.353 8.930 10.158 1.00 0.00 H new ATOM 0 HD1 HIS A 63 9.467 6.770 7.871 1.00 0.00 H new ATOM 0 HD2 HIS A 63 8.210 6.888 11.867 1.00 0.00 H new ATOM 0 HE1 HIS A 63 10.850 5.038 9.112 1.00 0.00 H new ATOM 1059 N HIS A 64 6.956 7.600 6.450 1.00 0.00 N ATOM 1060 CA HIS A 64 7.278 6.909 5.206 1.00 0.00 C ATOM 1061 C HIS A 64 8.326 5.837 5.462 1.00 0.00 C ATOM 1062 O HIS A 64 9.331 6.092 6.130 1.00 0.00 O ATOM 1063 CB HIS A 64 7.793 7.890 4.147 1.00 0.00 C ATOM 1064 CG HIS A 64 6.789 8.918 3.722 1.00 0.00 C ATOM 1065 ND1 HIS A 64 5.584 8.598 3.140 1.00 0.00 N ATOM 1066 CD2 HIS A 64 6.823 10.269 3.792 1.00 0.00 C ATOM 1067 CE1 HIS A 64 4.918 9.705 2.873 1.00 0.00 C ATOM 1068 NE2 HIS A 64 5.649 10.735 3.260 1.00 0.00 N ATOM 0 H HIS A 64 7.159 8.600 6.442 1.00 0.00 H new ATOM 0 HA HIS A 64 6.365 6.445 4.832 1.00 0.00 H new ATOM 0 HB2 HIS A 64 8.674 8.399 4.537 1.00 0.00 H new ATOM 0 HB3 HIS A 64 8.112 7.326 3.270 1.00 0.00 H new ATOM 0 HD1 HIS A 64 5.257 7.652 2.945 1.00 0.00 H new ATOM 0 HD2 HIS A 64 7.627 10.869 4.193 1.00 0.00 H new ATOM 0 HE1 HIS A 64 3.941 9.760 2.416 1.00 0.00 H new ATOM 1077 N HIS A 65 8.094 4.648 4.938 1.00 0.00 N ATOM 1078 CA HIS A 65 9.005 3.533 5.155 1.00 0.00 C ATOM 1079 C HIS A 65 9.747 3.190 3.867 1.00 0.00 C ATOM 1080 O HIS A 65 9.138 2.827 2.859 1.00 0.00 O ATOM 1081 CB HIS A 65 8.264 2.299 5.706 1.00 0.00 C ATOM 1082 CG HIS A 65 7.093 1.851 4.886 1.00 0.00 C ATOM 1083 ND1 HIS A 65 7.209 1.005 3.807 1.00 0.00 N ATOM 1084 CD2 HIS A 65 5.779 2.146 4.991 1.00 0.00 C ATOM 1085 CE1 HIS A 65 6.016 0.801 3.282 1.00 0.00 C ATOM 1086 NE2 HIS A 65 5.126 1.482 3.981 1.00 0.00 N ATOM 0 H HIS A 65 7.284 4.427 4.359 1.00 0.00 H new ATOM 0 HA HIS A 65 9.735 3.839 5.904 1.00 0.00 H new ATOM 0 HB2 HIS A 65 8.971 1.473 5.785 1.00 0.00 H new ATOM 0 HB3 HIS A 65 7.919 2.521 6.716 1.00 0.00 H new ATOM 0 HD2 HIS A 65 5.325 2.786 5.733 1.00 0.00 H new ATOM 0 HE1 HIS A 65 5.803 0.181 2.424 1.00 0.00 H new ATOM 0 HE2 HIS A 65 4.122 1.510 3.801 1.00 0.00 H new ATOM 1095 N HIS A 66 11.066 3.341 3.911 1.00 0.00 N ATOM 1096 CA HIS A 66 11.935 3.056 2.769 1.00 0.00 C ATOM 1097 C HIS A 66 11.632 4.006 1.608 1.00 0.00 C ATOM 1098 O HIS A 66 11.869 3.687 0.444 1.00 0.00 O ATOM 1099 CB HIS A 66 11.797 1.589 2.334 1.00 0.00 C ATOM 1100 CG HIS A 66 12.902 1.108 1.442 1.00 0.00 C ATOM 1101 ND1 HIS A 66 14.174 0.842 1.898 1.00 0.00 N ATOM 1102 CD2 HIS A 66 12.920 0.851 0.114 1.00 0.00 C ATOM 1103 CE1 HIS A 66 14.924 0.435 0.892 1.00 0.00 C ATOM 1104 NE2 HIS A 66 14.187 0.433 -0.200 1.00 0.00 N ATOM 0 H HIS A 66 11.566 3.665 4.739 1.00 0.00 H new ATOM 0 HA HIS A 66 12.968 3.219 3.075 1.00 0.00 H new ATOM 0 HB2 HIS A 66 11.762 0.959 3.223 1.00 0.00 H new ATOM 0 HB3 HIS A 66 10.846 1.463 1.817 1.00 0.00 H new ATOM 0 HD2 HIS A 66 12.091 0.956 -0.571 1.00 0.00 H new ATOM 0 HE1 HIS A 66 15.964 0.152 0.953 1.00 0.00 H new ATOM 0 HE2 HIS A 66 14.508 0.164 -1.130 1.00 0.00 H new ATOM 1113 N HIS A 67 11.130 5.191 1.935 1.00 0.00 N ATOM 1114 CA HIS A 67 10.874 6.208 0.920 1.00 0.00 C ATOM 1115 C HIS A 67 12.167 6.966 0.644 1.00 0.00 C ATOM 1116 O HIS A 67 12.330 7.600 -0.398 1.00 0.00 O ATOM 1117 CB HIS A 67 9.773 7.171 1.380 1.00 0.00 C ATOM 1118 CG HIS A 67 9.091 7.903 0.257 1.00 0.00 C ATOM 1119 ND1 HIS A 67 9.434 9.179 -0.141 1.00 0.00 N ATOM 1120 CD2 HIS A 67 8.060 7.531 -0.541 1.00 0.00 C ATOM 1121 CE1 HIS A 67 8.644 9.557 -1.131 1.00 0.00 C ATOM 1122 NE2 HIS A 67 7.802 8.578 -1.393 1.00 0.00 N ATOM 0 H HIS A 67 10.893 5.471 2.887 1.00 0.00 H new ATOM 0 HA HIS A 67 10.530 5.726 0.005 1.00 0.00 H new ATOM 0 HB2 HIS A 67 9.025 6.610 1.941 1.00 0.00 H new ATOM 0 HB3 HIS A 67 10.205 7.900 2.065 1.00 0.00 H new ATOM 0 HD2 HIS A 67 7.538 6.586 -0.512 1.00 0.00 H new ATOM 0 HE1 HIS A 67 8.682 10.509 -1.640 1.00 0.00 H new ATOM 0 HE2 HIS A 67 7.077 8.594 -2.111 1.00 0.00 H new ATOM 1131 N HIS A 68 13.084 6.888 1.595 1.00 0.00 N ATOM 1132 CA HIS A 68 14.413 7.449 1.432 1.00 0.00 C ATOM 1133 C HIS A 68 15.450 6.420 1.874 1.00 0.00 C ATOM 1134 O HIS A 68 15.299 5.858 2.981 1.00 0.00 O ATOM 1135 CB HIS A 68 14.574 8.782 2.198 1.00 0.00 C ATOM 1136 CG HIS A 68 14.571 8.678 3.699 1.00 0.00 C ATOM 1137 ND1 HIS A 68 13.446 8.881 4.470 1.00 0.00 N ATOM 1138 CD2 HIS A 68 15.578 8.424 4.572 1.00 0.00 C ATOM 1139 CE1 HIS A 68 13.764 8.759 5.747 1.00 0.00 C ATOM 1140 NE2 HIS A 68 15.049 8.480 5.836 1.00 0.00 N ATOM 1141 OXT HIS A 68 16.396 6.160 1.107 1.00 0.00 O ATOM 0 H HIS A 68 12.928 6.436 2.496 1.00 0.00 H new ATOM 0 HA HIS A 68 14.568 7.682 0.378 1.00 0.00 H new ATOM 0 HB2 HIS A 68 15.509 9.248 1.887 1.00 0.00 H new ATOM 0 HB3 HIS A 68 13.768 9.452 1.897 1.00 0.00 H new ATOM 0 HD2 HIS A 68 16.607 8.216 4.318 1.00 0.00 H new ATOM 0 HE1 HIS A 68 13.084 8.870 6.579 1.00 0.00 H new ATOM 0 HE2 HIS A 68 15.565 8.330 6.703 1.00 0.00 H new TER 1150 HIS A 68