USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 842 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 49 TYR OH : rot 180:sc= -2.52 USER MOD Set 1.2: A 57 LYS NZ :NH3+ 151:sc= -0.144 (180deg=-0.483) USER MOD Set 2.1: A 33 HIS : no HD1:sc= -8.21! C(o=-12!,f=-15!) USER MOD Set 2.2: A 36 MET CE :methyl -118:sc= -3.74! (180deg=0) USER MOD Set 3.1: A 25 LYS NZ :NH3+ -154:sc= 1.45 (180deg=-0.0366) USER MOD Set 3.2: A 29 TYR OH : rot 165:sc= -0.108 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -134:sc= 0.051 (180deg=-0.223) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.179) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -129:sc= -0.011 (180deg=-0.923) USER MOD Single : A 7 HIS : no HD1:sc= -3.75 K(o=-3.7,f=-3.2) USER MOD Single : A 12 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0888) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.172 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0373) USER MOD Single : A 31 LYS NZ :NH3+ -155:sc= -0.116 (180deg=-0.64) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 42 THR OG1 : rot 98:sc= 1.02 USER MOD Single : A 43 LYS NZ :NH3+ -169:sc= 0.00499 (180deg=0.000502) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -153:sc= -0.0137 (180deg=-0.445) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 165:sc= -0.128 (180deg=-0.661) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.261) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 157:sc= 0.283 (180deg=-0.501) USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 74 ASN : amide:sc= -1.84 K(o=-1.8,f=-14!) USER MOD Single : A 82 HIS : no HD1:sc= -0.16 X(o=-0.16,f=-0.52) USER MOD Single : A 87 GLN : amide:sc=-0.00663 K(o=-0.0066,f=-1.5!) USER MOD Single : A 88 ASN : amide:sc= -2.77 K(o=-2.8,f=-1.9) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.793 20.180 19.532 1.00 0.00 N ATOM 2 CA MET A 1 -0.996 18.715 19.678 1.00 0.00 C ATOM 3 C MET A 1 -1.300 18.063 18.333 1.00 0.00 C ATOM 4 O MET A 1 -1.412 18.744 17.313 1.00 0.00 O ATOM 5 CB MET A 1 -2.150 18.476 20.654 1.00 0.00 C ATOM 6 CG MET A 1 -1.891 19.023 22.047 1.00 0.00 C ATOM 7 SD MET A 1 -3.201 18.603 23.213 1.00 0.00 S ATOM 8 CE MET A 1 -3.078 19.966 24.367 1.00 0.00 C ATOM 0 H1 MET A 1 0.053 20.468 20.064 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.667 20.415 18.527 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.623 20.684 19.904 1.00 0.00 H new ATOM 0 HA MET A 1 -0.081 18.264 20.061 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.054 18.936 20.254 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.341 17.405 20.723 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.943 18.632 22.416 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.790 20.107 21.995 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.827 19.848 25.150 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.084 19.976 24.814 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.248 20.905 23.840 1.00 0.00 H new ATOM 20 N LYS A 2 -1.433 16.741 18.338 1.00 0.00 N ATOM 21 CA LYS A 2 -1.724 15.997 17.119 1.00 0.00 C ATOM 22 C LYS A 2 -0.614 16.182 16.090 1.00 0.00 C ATOM 23 O LYS A 2 -0.675 17.081 15.251 1.00 0.00 O ATOM 24 CB LYS A 2 -3.062 16.446 16.529 1.00 0.00 C ATOM 25 CG LYS A 2 -4.203 16.442 17.535 1.00 0.00 C ATOM 26 CD LYS A 2 -5.488 16.972 16.923 1.00 0.00 C ATOM 27 CE LYS A 2 -6.316 15.853 16.312 1.00 0.00 C ATOM 28 NZ LYS A 2 -7.773 16.169 16.323 1.00 0.00 N ATOM 0 H LYS A 2 -1.344 16.163 19.174 1.00 0.00 H new ATOM 0 HA LYS A 2 -1.784 14.939 17.375 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -2.951 17.451 16.122 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -3.320 15.792 15.696 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -4.364 15.428 17.900 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -3.931 17.051 18.397 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -6.073 17.483 17.688 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -5.250 17.710 16.157 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -5.990 15.679 15.287 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -6.141 14.929 16.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -8.302 15.381 15.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -8.090 16.310 17.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -7.944 17.036 15.775 1.00 0.00 H new ATOM 42 N LYS A 3 0.398 15.325 16.158 1.00 0.00 N ATOM 43 CA LYS A 3 1.524 15.392 15.232 1.00 0.00 C ATOM 44 C LYS A 3 1.727 14.055 14.527 1.00 0.00 C ATOM 45 O LYS A 3 1.370 13.002 15.057 1.00 0.00 O ATOM 46 CB LYS A 3 2.800 15.790 15.975 1.00 0.00 C ATOM 47 CG LYS A 3 2.639 17.033 16.836 1.00 0.00 C ATOM 48 CD LYS A 3 3.191 18.268 16.143 1.00 0.00 C ATOM 49 CE LYS A 3 4.710 18.305 16.197 1.00 0.00 C ATOM 50 NZ LYS A 3 5.231 19.700 16.234 1.00 0.00 N ATOM 0 H LYS A 3 0.463 14.574 16.845 1.00 0.00 H new ATOM 0 HA LYS A 3 1.300 16.149 14.480 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.117 14.960 16.606 1.00 0.00 H new ATOM 0 HB3 LYS A 3 3.595 15.961 15.249 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.584 17.184 17.064 1.00 0.00 H new ATOM 0 HG3 LYS A 3 3.153 16.888 17.786 1.00 0.00 H new ATOM 0 HD2 LYS A 3 2.862 18.281 15.104 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.787 19.163 16.616 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.055 17.765 17.079 1.00 0.00 H new ATOM 0 HE3 LYS A 3 5.117 17.789 15.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 6.230 19.690 16.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 5.148 20.127 15.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 4.679 20.259 16.916 1.00 0.00 H new ATOM 64 N LEU A 4 2.301 14.103 13.330 1.00 0.00 N ATOM 65 CA LEU A 4 2.552 12.893 12.554 1.00 0.00 C ATOM 66 C LEU A 4 1.248 12.165 12.252 1.00 0.00 C ATOM 67 O LEU A 4 0.634 11.575 13.140 1.00 0.00 O ATOM 68 CB LEU A 4 3.505 11.965 13.308 1.00 0.00 C ATOM 69 CG LEU A 4 4.108 10.836 12.470 1.00 0.00 C ATOM 70 CD1 LEU A 4 5.561 10.600 12.857 1.00 0.00 C ATOM 71 CD2 LEU A 4 3.297 9.559 12.632 1.00 0.00 C ATOM 0 H LEU A 4 2.601 14.966 12.876 1.00 0.00 H new ATOM 0 HA LEU A 4 3.014 13.185 11.611 1.00 0.00 H new ATOM 0 HB2 LEU A 4 4.317 12.562 13.723 1.00 0.00 H new ATOM 0 HB3 LEU A 4 2.970 11.526 14.150 1.00 0.00 H new ATOM 0 HG LEU A 4 4.076 11.132 11.421 1.00 0.00 H new ATOM 0 HD11 LEU A 4 5.973 9.793 12.250 1.00 0.00 H new ATOM 0 HD12 LEU A 4 6.135 11.511 12.688 1.00 0.00 H new ATOM 0 HD13 LEU A 4 5.617 10.326 13.911 1.00 0.00 H new ATOM 0 HD21 LEU A 4 3.741 8.767 12.029 1.00 0.00 H new ATOM 0 HD22 LEU A 4 3.296 9.259 13.680 1.00 0.00 H new ATOM 0 HD23 LEU A 4 2.273 9.734 12.304 1.00 0.00 H new ATOM 83 N LYS A 5 0.826 12.210 10.991 1.00 0.00 N ATOM 84 CA LYS A 5 -0.409 11.556 10.575 1.00 0.00 C ATOM 85 C LYS A 5 -0.264 10.946 9.184 1.00 0.00 C ATOM 86 O LYS A 5 0.823 10.941 8.607 1.00 0.00 O ATOM 87 CB LYS A 5 -1.568 12.554 10.591 1.00 0.00 C ATOM 88 CG LYS A 5 -1.778 13.219 11.942 1.00 0.00 C ATOM 89 CD LYS A 5 -2.724 14.404 11.839 1.00 0.00 C ATOM 90 CE LYS A 5 -2.536 15.368 12.999 1.00 0.00 C ATOM 91 NZ LYS A 5 -3.138 16.701 12.717 1.00 0.00 N ATOM 0 H LYS A 5 1.321 12.692 10.241 1.00 0.00 H new ATOM 0 HA LYS A 5 -0.620 10.753 11.281 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -1.385 13.323 9.841 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -2.484 12.039 10.302 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -2.179 12.492 12.648 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -0.818 13.552 12.338 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -2.553 14.927 10.898 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.754 14.048 11.823 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -2.989 14.948 13.897 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -1.472 15.486 13.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.988 17.329 13.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.689 17.114 11.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -4.158 16.592 12.547 1.00 0.00 H new ATOM 105 N LYS A 6 -1.369 10.433 8.652 1.00 0.00 N ATOM 106 CA LYS A 6 -1.370 9.817 7.330 1.00 0.00 C ATOM 107 C LYS A 6 -2.646 10.169 6.571 1.00 0.00 C ATOM 108 O LYS A 6 -3.571 9.361 6.483 1.00 0.00 O ATOM 109 CB LYS A 6 -1.237 8.299 7.451 1.00 0.00 C ATOM 110 CG LYS A 6 -0.997 7.601 6.122 1.00 0.00 C ATOM 111 CD LYS A 6 -0.727 6.117 6.313 1.00 0.00 C ATOM 112 CE LYS A 6 -1.972 5.380 6.778 1.00 0.00 C ATOM 113 NZ LYS A 6 -2.638 4.654 5.661 1.00 0.00 N ATOM 0 H LYS A 6 -2.277 10.432 9.117 1.00 0.00 H new ATOM 0 HA LYS A 6 -0.517 10.205 6.774 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -0.414 8.068 8.127 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -2.144 7.898 7.904 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -1.866 7.734 5.478 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -0.151 8.064 5.614 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.377 5.686 5.375 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.071 5.982 7.043 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -1.703 4.672 7.562 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -2.672 6.091 7.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -3.648 4.900 5.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -2.197 4.925 4.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -2.534 3.629 5.803 1.00 0.00 H new ATOM 127 N HIS A 7 -2.690 11.381 6.026 1.00 0.00 N ATOM 128 CA HIS A 7 -3.853 11.841 5.275 1.00 0.00 C ATOM 129 C HIS A 7 -3.433 12.412 3.922 1.00 0.00 C ATOM 130 O HIS A 7 -2.243 12.535 3.636 1.00 0.00 O ATOM 131 CB HIS A 7 -4.616 12.898 6.080 1.00 0.00 C ATOM 132 CG HIS A 7 -6.053 12.553 6.311 1.00 0.00 C ATOM 133 ND1 HIS A 7 -6.473 11.301 6.709 1.00 0.00 N ATOM 134 CD2 HIS A 7 -7.175 13.305 6.201 1.00 0.00 C ATOM 135 CE1 HIS A 7 -7.789 11.297 6.831 1.00 0.00 C ATOM 136 NE2 HIS A 7 -8.238 12.502 6.529 1.00 0.00 N ATOM 0 H HIS A 7 -1.934 12.062 6.090 1.00 0.00 H new ATOM 0 HA HIS A 7 -4.508 10.988 5.099 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -4.124 13.034 7.043 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -4.560 13.852 5.556 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -7.223 14.344 5.909 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -8.394 10.453 7.127 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -9.217 12.789 6.538 1.00 0.00 H new ATOM 145 N PRO A 8 -4.411 12.769 3.070 1.00 0.00 N ATOM 146 CA PRO A 8 -4.141 13.329 1.740 1.00 0.00 C ATOM 147 C PRO A 8 -3.482 14.704 1.815 1.00 0.00 C ATOM 148 O PRO A 8 -4.048 15.704 1.376 1.00 0.00 O ATOM 149 CB PRO A 8 -5.533 13.435 1.094 1.00 0.00 C ATOM 150 CG PRO A 8 -6.430 12.599 1.945 1.00 0.00 C ATOM 151 CD PRO A 8 -5.852 12.651 3.327 1.00 0.00 C ATOM 0 HA PRO A 8 -3.447 12.708 1.175 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -5.874 14.470 1.063 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.518 13.073 0.066 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.450 12.984 1.933 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.472 11.574 1.578 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.233 13.501 3.894 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.089 11.754 3.899 1.00 0.00 H new ATOM 159 N ASP A 9 -2.277 14.743 2.375 1.00 0.00 N ATOM 160 CA ASP A 9 -1.535 15.991 2.509 1.00 0.00 C ATOM 161 C ASP A 9 -0.055 15.772 2.213 1.00 0.00 C ATOM 162 O ASP A 9 0.561 16.541 1.476 1.00 0.00 O ATOM 163 CB ASP A 9 -1.710 16.565 3.915 1.00 0.00 C ATOM 164 CG ASP A 9 -2.836 17.577 3.990 1.00 0.00 C ATOM 165 OD1 ASP A 9 -2.739 18.623 3.314 1.00 0.00 O ATOM 166 OD2 ASP A 9 -3.814 17.323 4.724 1.00 0.00 O ATOM 0 H ASP A 9 -1.794 13.924 2.743 1.00 0.00 H new ATOM 0 HA ASP A 9 -1.931 16.703 1.785 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -1.908 15.753 4.614 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -0.779 17.037 4.230 1.00 0.00 H new ATOM 171 N PHE A 10 0.510 14.715 2.791 1.00 0.00 N ATOM 172 CA PHE A 10 1.918 14.396 2.583 1.00 0.00 C ATOM 173 C PHE A 10 2.089 12.964 2.076 1.00 0.00 C ATOM 174 O PHE A 10 2.613 12.752 0.987 1.00 0.00 O ATOM 175 CB PHE A 10 2.715 14.608 3.871 1.00 0.00 C ATOM 176 CG PHE A 10 3.780 15.662 3.752 1.00 0.00 C ATOM 177 CD1 PHE A 10 3.447 16.967 3.425 1.00 0.00 C ATOM 178 CD2 PHE A 10 5.112 15.348 3.967 1.00 0.00 C ATOM 179 CE1 PHE A 10 4.423 17.938 3.314 1.00 0.00 C ATOM 180 CE2 PHE A 10 6.092 16.315 3.857 1.00 0.00 C ATOM 181 CZ PHE A 10 5.748 17.613 3.531 1.00 0.00 C ATOM 0 H PHE A 10 0.016 14.067 3.405 1.00 0.00 H new ATOM 0 HA PHE A 10 2.306 15.072 1.821 1.00 0.00 H new ATOM 0 HB2 PHE A 10 2.029 14.885 4.672 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.179 13.665 4.161 1.00 0.00 H new ATOM 0 HD1 PHE A 10 2.413 17.228 3.255 1.00 0.00 H new ATOM 0 HD2 PHE A 10 5.387 14.336 4.224 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.150 18.951 3.058 1.00 0.00 H new ATOM 0 HE2 PHE A 10 7.127 16.057 4.026 1.00 0.00 H new ATOM 0 HZ PHE A 10 6.513 18.371 3.446 1.00 0.00 H new ATOM 191 N PRO A 11 1.665 11.953 2.864 1.00 0.00 N ATOM 192 CA PRO A 11 1.787 10.550 2.492 1.00 0.00 C ATOM 193 C PRO A 11 0.485 9.973 1.927 1.00 0.00 C ATOM 194 O PRO A 11 -0.351 10.705 1.399 1.00 0.00 O ATOM 195 CB PRO A 11 2.106 9.923 3.841 1.00 0.00 C ATOM 196 CG PRO A 11 1.296 10.718 4.821 1.00 0.00 C ATOM 197 CD PRO A 11 1.050 12.078 4.195 1.00 0.00 C ATOM 0 HA PRO A 11 2.522 10.373 1.707 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.834 8.868 3.863 1.00 0.00 H new ATOM 0 HB3 PRO A 11 3.171 9.982 4.065 1.00 0.00 H new ATOM 0 HG2 PRO A 11 0.352 10.217 5.037 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.827 10.820 5.767 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -0.014 12.303 4.127 1.00 0.00 H new ATOM 0 HD3 PRO A 11 1.508 12.878 4.777 1.00 0.00 H new ATOM 205 N LYS A 12 0.324 8.654 2.050 1.00 0.00 N ATOM 206 CA LYS A 12 -0.872 7.968 1.564 1.00 0.00 C ATOM 207 C LYS A 12 -0.922 7.941 0.039 1.00 0.00 C ATOM 208 O LYS A 12 -1.003 8.986 -0.607 1.00 0.00 O ATOM 209 CB LYS A 12 -2.133 8.638 2.114 1.00 0.00 C ATOM 210 CG LYS A 12 -3.396 7.815 1.912 1.00 0.00 C ATOM 211 CD LYS A 12 -3.800 7.091 3.188 1.00 0.00 C ATOM 212 CE LYS A 12 -4.381 8.052 4.212 1.00 0.00 C ATOM 213 NZ LYS A 12 -5.742 8.515 3.829 1.00 0.00 N ATOM 0 H LYS A 12 1.011 8.038 2.484 1.00 0.00 H new ATOM 0 HA LYS A 12 -0.827 6.939 1.920 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.999 8.827 3.179 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -2.260 9.607 1.631 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.208 8.466 1.589 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.235 7.088 1.116 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.534 6.320 2.954 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -2.932 6.587 3.612 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.424 7.563 5.185 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.721 8.913 4.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.177 9.014 4.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.673 9.160 3.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.328 7.695 3.572 1.00 0.00 H new ATOM 227 N LYS A 13 -0.883 6.739 -0.531 1.00 0.00 N ATOM 228 CA LYS A 13 -0.933 6.575 -1.982 1.00 0.00 C ATOM 229 C LYS A 13 -0.779 5.106 -2.383 1.00 0.00 C ATOM 230 O LYS A 13 -1.687 4.521 -2.973 1.00 0.00 O ATOM 231 CB LYS A 13 0.149 7.421 -2.655 1.00 0.00 C ATOM 232 CG LYS A 13 -0.404 8.470 -3.605 1.00 0.00 C ATOM 233 CD LYS A 13 -1.085 7.831 -4.805 1.00 0.00 C ATOM 234 CE LYS A 13 -0.175 7.824 -6.023 1.00 0.00 C ATOM 235 NZ LYS A 13 -0.948 7.799 -7.295 1.00 0.00 N ATOM 0 H LYS A 13 -0.817 5.864 -0.011 1.00 0.00 H new ATOM 0 HA LYS A 13 -1.911 6.917 -2.320 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.743 7.916 -1.886 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.823 6.764 -3.205 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.116 9.103 -3.075 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.405 9.116 -3.946 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -1.374 6.809 -4.559 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.001 8.374 -5.037 1.00 0.00 H new ATOM 0 HE2 LYS A 13 0.464 8.707 -6.004 1.00 0.00 H new ATOM 0 HE3 LYS A 13 0.482 6.955 -5.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -0.290 7.795 -8.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -1.538 6.943 -7.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -1.556 8.641 -7.348 1.00 0.00 H new ATOM 249 N PRO A 14 0.378 4.488 -2.078 1.00 0.00 N ATOM 250 CA PRO A 14 0.635 3.087 -2.425 1.00 0.00 C ATOM 251 C PRO A 14 -0.102 2.107 -1.521 1.00 0.00 C ATOM 252 O PRO A 14 -0.685 2.493 -0.507 1.00 0.00 O ATOM 253 CB PRO A 14 2.144 2.951 -2.236 1.00 0.00 C ATOM 254 CG PRO A 14 2.482 3.951 -1.187 1.00 0.00 C ATOM 255 CD PRO A 14 1.527 5.103 -1.383 1.00 0.00 C ATOM 0 HA PRO A 14 0.288 2.852 -3.431 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.415 1.942 -1.924 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.680 3.153 -3.164 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.375 3.522 -0.191 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.516 4.282 -1.283 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.230 5.544 -0.431 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.976 5.899 -1.977 1.00 0.00 H new ATOM 263 N LEU A 15 -0.067 0.833 -1.897 1.00 0.00 N ATOM 264 CA LEU A 15 -0.724 -0.219 -1.134 1.00 0.00 C ATOM 265 C LEU A 15 0.279 -1.299 -0.730 1.00 0.00 C ATOM 266 O LEU A 15 1.481 -1.153 -0.955 1.00 0.00 O ATOM 267 CB LEU A 15 -1.863 -0.825 -1.953 1.00 0.00 C ATOM 268 CG LEU A 15 -1.499 -1.213 -3.390 1.00 0.00 C ATOM 269 CD1 LEU A 15 -1.219 -2.705 -3.486 1.00 0.00 C ATOM 270 CD2 LEU A 15 -2.610 -0.811 -4.349 1.00 0.00 C ATOM 0 H LEU A 15 0.414 0.503 -2.734 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.138 0.216 -0.225 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.229 -1.712 -1.436 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.686 -0.112 -1.984 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.593 -0.677 -3.673 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.962 -2.962 -4.514 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.388 -2.962 -2.829 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.106 -3.262 -3.184 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.334 -1.094 -5.365 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.533 -1.318 -4.069 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.759 0.268 -4.301 1.00 0.00 H new ATOM 282 N THR A 16 -0.216 -2.377 -0.128 1.00 0.00 N ATOM 283 CA THR A 16 0.650 -3.469 0.311 1.00 0.00 C ATOM 284 C THR A 16 0.615 -4.643 -0.666 1.00 0.00 C ATOM 285 O THR A 16 -0.324 -4.784 -1.450 1.00 0.00 O ATOM 286 CB THR A 16 0.239 -3.942 1.706 1.00 0.00 C ATOM 287 OG1 THR A 16 -1.173 -3.974 1.829 1.00 0.00 O ATOM 288 CG2 THR A 16 0.775 -3.066 2.818 1.00 0.00 C ATOM 0 H THR A 16 -1.207 -2.518 0.067 1.00 0.00 H new ATOM 0 HA THR A 16 1.671 -3.088 0.343 1.00 0.00 H new ATOM 0 HB THR A 16 0.669 -4.938 1.811 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.416 -4.280 2.728 1.00 0.00 H new ATOM 0 HG21 THR A 16 0.446 -3.458 3.780 1.00 0.00 H new ATOM 0 HG22 THR A 16 1.864 -3.058 2.782 1.00 0.00 H new ATOM 0 HG23 THR A 16 0.401 -2.050 2.693 1.00 0.00 H new ATOM 296 N PRO A 17 1.646 -5.505 -0.627 1.00 0.00 N ATOM 297 CA PRO A 17 1.744 -6.674 -1.505 1.00 0.00 C ATOM 298 C PRO A 17 0.447 -7.478 -1.544 1.00 0.00 C ATOM 299 O PRO A 17 -0.028 -7.855 -2.614 1.00 0.00 O ATOM 300 CB PRO A 17 2.881 -7.511 -0.897 1.00 0.00 C ATOM 301 CG PRO A 17 3.248 -6.839 0.389 1.00 0.00 C ATOM 302 CD PRO A 17 2.801 -5.411 0.272 1.00 0.00 C ATOM 0 HA PRO A 17 1.933 -6.383 -2.538 1.00 0.00 H new ATOM 0 HB2 PRO A 17 2.559 -8.538 -0.722 1.00 0.00 H new ATOM 0 HB3 PRO A 17 3.736 -7.555 -1.572 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.763 -7.328 1.234 1.00 0.00 H new ATOM 0 HG3 PRO A 17 4.323 -6.895 0.562 1.00 0.00 H new ATOM 0 HD2 PRO A 17 2.527 -4.992 1.240 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.584 -4.775 -0.140 1.00 0.00 H new ATOM 310 N TYR A 18 -0.124 -7.735 -0.371 1.00 0.00 N ATOM 311 CA TYR A 18 -1.368 -8.491 -0.282 1.00 0.00 C ATOM 312 C TYR A 18 -2.470 -7.806 -1.086 1.00 0.00 C ATOM 313 O TYR A 18 -3.383 -8.460 -1.590 1.00 0.00 O ATOM 314 CB TYR A 18 -1.802 -8.644 1.180 1.00 0.00 C ATOM 315 CG TYR A 18 -3.007 -9.542 1.367 1.00 0.00 C ATOM 316 CD1 TYR A 18 -3.182 -10.681 0.589 1.00 0.00 C ATOM 317 CD2 TYR A 18 -3.973 -9.249 2.324 1.00 0.00 C ATOM 318 CE1 TYR A 18 -4.281 -11.500 0.758 1.00 0.00 C ATOM 319 CE2 TYR A 18 -5.074 -10.065 2.499 1.00 0.00 C ATOM 320 CZ TYR A 18 -5.224 -11.189 1.715 1.00 0.00 C ATOM 321 OH TYR A 18 -6.319 -12.003 1.887 1.00 0.00 O ATOM 0 H TYR A 18 0.253 -7.432 0.527 1.00 0.00 H new ATOM 0 HA TYR A 18 -1.194 -9.482 -0.700 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.969 -9.045 1.757 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -2.028 -7.659 1.588 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -2.445 -10.930 -0.161 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.861 -8.369 2.940 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.401 -12.380 0.144 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -5.814 -9.823 3.247 1.00 0.00 H new ATOM 0 HH TYR A 18 -6.885 -11.643 2.601 1.00 0.00 H new ATOM 331 N PHE A 19 -2.371 -6.485 -1.210 1.00 0.00 N ATOM 332 CA PHE A 19 -3.352 -5.712 -1.962 1.00 0.00 C ATOM 333 C PHE A 19 -3.081 -5.817 -3.459 1.00 0.00 C ATOM 334 O PHE A 19 -3.953 -6.214 -4.228 1.00 0.00 O ATOM 335 CB PHE A 19 -3.331 -4.247 -1.521 1.00 0.00 C ATOM 336 CG PHE A 19 -4.424 -3.896 -0.553 1.00 0.00 C ATOM 337 CD1 PHE A 19 -5.753 -4.104 -0.884 1.00 0.00 C ATOM 338 CD2 PHE A 19 -4.124 -3.360 0.690 1.00 0.00 C ATOM 339 CE1 PHE A 19 -6.762 -3.783 0.003 1.00 0.00 C ATOM 340 CE2 PHE A 19 -5.128 -3.037 1.582 1.00 0.00 C ATOM 341 CZ PHE A 19 -6.448 -3.248 1.238 1.00 0.00 C ATOM 0 H PHE A 19 -1.621 -5.929 -0.799 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.341 -6.122 -1.759 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.367 -4.028 -1.063 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.418 -3.610 -2.401 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -6.003 -4.522 -1.848 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.093 -3.193 0.964 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.794 -3.950 -0.268 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.881 -2.620 2.547 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.235 -2.995 1.933 1.00 0.00 H new ATOM 351 N ARG A 20 -1.864 -5.477 -3.869 1.00 0.00 N ATOM 352 CA ARG A 20 -1.489 -5.552 -5.280 1.00 0.00 C ATOM 353 C ARG A 20 -1.583 -6.989 -5.800 1.00 0.00 C ATOM 354 O ARG A 20 -1.495 -7.226 -7.002 1.00 0.00 O ATOM 355 CB ARG A 20 -0.075 -5.010 -5.498 1.00 0.00 C ATOM 356 CG ARG A 20 0.960 -5.588 -4.546 1.00 0.00 C ATOM 357 CD ARG A 20 2.317 -4.918 -4.711 1.00 0.00 C ATOM 358 NE ARG A 20 2.205 -3.468 -4.860 1.00 0.00 N ATOM 359 CZ ARG A 20 2.029 -2.850 -6.027 1.00 0.00 C ATOM 360 NH1 ARG A 20 1.931 -3.549 -7.150 1.00 0.00 N ATOM 361 NH2 ARG A 20 1.948 -1.527 -6.068 1.00 0.00 N ATOM 0 H ARG A 20 -1.123 -5.148 -3.250 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.191 -4.934 -5.840 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.230 -5.221 -6.523 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.091 -3.926 -5.387 1.00 0.00 H new ATOM 0 HG2 ARG A 20 0.617 -5.466 -3.519 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.059 -6.659 -4.724 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.940 -5.145 -3.846 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.821 -5.333 -5.584 1.00 0.00 H new ATOM 0 HE ARG A 20 2.265 -2.894 -4.019 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.990 -4.567 -7.124 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.796 -3.069 -8.040 1.00 0.00 H new ATOM 0 HH21 ARG A 20 2.020 -0.985 -5.207 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.813 -1.052 -6.960 1.00 0.00 H new ATOM 375 N PHE A 21 -1.760 -7.941 -4.886 1.00 0.00 N ATOM 376 CA PHE A 21 -1.870 -9.352 -5.244 1.00 0.00 C ATOM 377 C PHE A 21 -3.337 -9.790 -5.251 1.00 0.00 C ATOM 378 O PHE A 21 -3.811 -10.438 -6.192 1.00 0.00 O ATOM 379 CB PHE A 21 -1.070 -10.189 -4.240 1.00 0.00 C ATOM 380 CG PHE A 21 -0.909 -11.646 -4.596 1.00 0.00 C ATOM 381 CD1 PHE A 21 -1.480 -12.182 -5.743 1.00 0.00 C ATOM 382 CD2 PHE A 21 -0.186 -12.482 -3.764 1.00 0.00 C ATOM 383 CE1 PHE A 21 -1.327 -13.523 -6.046 1.00 0.00 C ATOM 384 CE2 PHE A 21 -0.030 -13.820 -4.062 1.00 0.00 C ATOM 385 CZ PHE A 21 -0.603 -14.343 -5.204 1.00 0.00 C ATOM 0 H PHE A 21 -1.831 -7.758 -3.885 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.467 -9.502 -6.245 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -0.079 -9.747 -4.132 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -1.557 -10.122 -3.267 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.049 -11.546 -6.405 1.00 0.00 H new ATOM 0 HD2 PHE A 21 0.263 -12.081 -2.867 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.774 -13.929 -6.942 1.00 0.00 H new ATOM 0 HE2 PHE A 21 0.540 -14.458 -3.402 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.485 -15.391 -5.438 1.00 0.00 H new ATOM 395 N PHE A 22 -4.055 -9.412 -4.200 1.00 0.00 N ATOM 396 CA PHE A 22 -5.464 -9.749 -4.066 1.00 0.00 C ATOM 397 C PHE A 22 -6.305 -8.820 -4.926 1.00 0.00 C ATOM 398 O PHE A 22 -7.138 -9.257 -5.719 1.00 0.00 O ATOM 399 CB PHE A 22 -5.868 -9.633 -2.589 1.00 0.00 C ATOM 400 CG PHE A 22 -7.339 -9.783 -2.320 1.00 0.00 C ATOM 401 CD1 PHE A 22 -8.231 -8.787 -2.680 1.00 0.00 C ATOM 402 CD2 PHE A 22 -7.825 -10.919 -1.695 1.00 0.00 C ATOM 403 CE1 PHE A 22 -9.582 -8.924 -2.421 1.00 0.00 C ATOM 404 CE2 PHE A 22 -9.174 -11.062 -1.436 1.00 0.00 C ATOM 405 CZ PHE A 22 -10.054 -10.064 -1.798 1.00 0.00 C ATOM 0 H PHE A 22 -3.679 -8.868 -3.423 1.00 0.00 H new ATOM 0 HA PHE A 22 -5.633 -10.771 -4.404 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.331 -10.392 -2.020 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -5.542 -8.663 -2.214 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.868 -7.895 -3.168 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -7.141 -11.703 -1.406 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -10.269 -8.140 -2.705 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -9.539 -11.955 -0.950 1.00 0.00 H new ATOM 0 HZ PHE A 22 -11.109 -10.173 -1.595 1.00 0.00 H new ATOM 415 N MET A 23 -6.064 -7.534 -4.752 1.00 0.00 N ATOM 416 CA MET A 23 -6.771 -6.498 -5.481 1.00 0.00 C ATOM 417 C MET A 23 -6.496 -6.563 -6.989 1.00 0.00 C ATOM 418 O MET A 23 -7.235 -5.979 -7.781 1.00 0.00 O ATOM 419 CB MET A 23 -6.357 -5.138 -4.905 1.00 0.00 C ATOM 420 CG MET A 23 -5.384 -4.348 -5.771 1.00 0.00 C ATOM 421 SD MET A 23 -6.213 -3.364 -7.033 1.00 0.00 S ATOM 422 CE MET A 23 -6.589 -1.877 -6.109 1.00 0.00 C ATOM 0 H MET A 23 -5.368 -7.177 -4.097 1.00 0.00 H new ATOM 0 HA MET A 23 -7.844 -6.647 -5.361 1.00 0.00 H new ATOM 0 HB2 MET A 23 -7.253 -4.537 -4.749 1.00 0.00 H new ATOM 0 HB3 MET A 23 -5.905 -5.296 -3.926 1.00 0.00 H new ATOM 0 HG2 MET A 23 -4.791 -3.690 -5.136 1.00 0.00 H new ATOM 0 HG3 MET A 23 -4.690 -5.038 -6.252 1.00 0.00 H new ATOM 0 HE1 MET A 23 -7.105 -1.168 -6.756 1.00 0.00 H new ATOM 0 HE2 MET A 23 -7.228 -2.127 -5.262 1.00 0.00 H new ATOM 0 HE3 MET A 23 -5.663 -1.430 -5.746 1.00 0.00 H new ATOM 432 N GLU A 24 -5.427 -7.254 -7.381 1.00 0.00 N ATOM 433 CA GLU A 24 -5.071 -7.354 -8.794 1.00 0.00 C ATOM 434 C GLU A 24 -5.736 -8.544 -9.482 1.00 0.00 C ATOM 435 O GLU A 24 -6.194 -8.428 -10.620 1.00 0.00 O ATOM 436 CB GLU A 24 -3.547 -7.431 -8.957 1.00 0.00 C ATOM 437 CG GLU A 24 -2.950 -8.796 -8.643 1.00 0.00 C ATOM 438 CD GLU A 24 -1.518 -8.926 -9.123 1.00 0.00 C ATOM 439 OE1 GLU A 24 -1.284 -8.780 -10.341 1.00 0.00 O ATOM 440 OE2 GLU A 24 -0.629 -9.176 -8.283 1.00 0.00 O ATOM 0 H GLU A 24 -4.799 -7.748 -6.747 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.443 -6.452 -9.281 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.289 -7.162 -9.981 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.086 -6.688 -8.306 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -2.986 -8.966 -7.567 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.558 -9.571 -9.109 1.00 0.00 H new ATOM 447 N LYS A 25 -5.779 -9.694 -8.812 1.00 0.00 N ATOM 448 CA LYS A 25 -6.383 -10.882 -9.407 1.00 0.00 C ATOM 449 C LYS A 25 -7.813 -11.107 -8.917 1.00 0.00 C ATOM 450 O LYS A 25 -8.467 -12.065 -9.320 1.00 0.00 O ATOM 451 CB LYS A 25 -5.516 -12.117 -9.154 1.00 0.00 C ATOM 452 CG LYS A 25 -5.551 -12.624 -7.725 1.00 0.00 C ATOM 453 CD LYS A 25 -4.293 -13.412 -7.388 1.00 0.00 C ATOM 454 CE LYS A 25 -4.034 -14.521 -8.397 1.00 0.00 C ATOM 455 NZ LYS A 25 -5.189 -15.455 -8.509 1.00 0.00 N ATOM 0 H LYS A 25 -5.409 -9.827 -7.871 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.437 -10.713 -10.482 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.842 -12.917 -9.819 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.485 -11.883 -9.419 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.650 -11.782 -7.040 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.428 -13.256 -7.582 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.437 -12.737 -7.362 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.390 -13.843 -6.391 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.827 -14.082 -9.373 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.145 -15.078 -8.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.853 -16.386 -8.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.649 -15.551 -7.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.873 -15.080 -9.197 1.00 0.00 H new ATOM 469 N ARG A 26 -8.300 -10.213 -8.059 1.00 0.00 N ATOM 470 CA ARG A 26 -9.646 -10.296 -7.536 1.00 0.00 C ATOM 471 C ARG A 26 -10.639 -10.536 -8.664 1.00 0.00 C ATOM 472 O ARG A 26 -11.656 -11.207 -8.488 1.00 0.00 O ATOM 473 CB ARG A 26 -9.977 -8.999 -6.801 1.00 0.00 C ATOM 474 CG ARG A 26 -10.046 -9.180 -5.303 1.00 0.00 C ATOM 475 CD ARG A 26 -11.033 -10.271 -4.958 1.00 0.00 C ATOM 476 NE ARG A 26 -10.380 -11.489 -4.494 1.00 0.00 N ATOM 477 CZ ARG A 26 -10.896 -12.303 -3.578 1.00 0.00 C ATOM 478 NH1 ARG A 26 -12.026 -11.991 -2.953 1.00 0.00 N ATOM 479 NH2 ARG A 26 -10.283 -13.438 -3.287 1.00 0.00 N ATOM 0 H ARG A 26 -7.767 -9.415 -7.712 1.00 0.00 H new ATOM 0 HA ARG A 26 -9.715 -11.133 -6.841 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -9.222 -8.249 -7.038 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -10.932 -8.615 -7.161 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -9.060 -9.434 -4.914 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.345 -8.245 -4.829 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -11.713 -9.910 -4.186 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -11.639 -10.499 -5.835 1.00 0.00 H new ATOM 0 HE ARG A 26 -9.474 -11.731 -4.896 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -12.507 -11.119 -3.174 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -12.412 -12.623 -2.252 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -9.417 -13.687 -3.765 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -10.676 -14.065 -2.585 1.00 0.00 H new ATOM 493 N ALA A 27 -10.313 -9.998 -9.829 1.00 0.00 N ATOM 494 CA ALA A 27 -11.149 -10.162 -11.006 1.00 0.00 C ATOM 495 C ALA A 27 -11.075 -11.598 -11.495 1.00 0.00 C ATOM 496 O ALA A 27 -12.055 -12.160 -11.986 1.00 0.00 O ATOM 497 CB ALA A 27 -10.689 -9.219 -12.103 1.00 0.00 C ATOM 0 H ALA A 27 -9.472 -9.442 -9.984 1.00 0.00 H new ATOM 0 HA ALA A 27 -12.181 -9.927 -10.745 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.321 -9.348 -12.982 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.761 -8.190 -11.752 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.654 -9.441 -12.364 1.00 0.00 H new ATOM 503 N LYS A 28 -9.892 -12.181 -11.350 1.00 0.00 N ATOM 504 CA LYS A 28 -9.652 -13.556 -11.771 1.00 0.00 C ATOM 505 C LYS A 28 -10.207 -14.564 -10.761 1.00 0.00 C ATOM 506 O LYS A 28 -10.207 -15.768 -11.016 1.00 0.00 O ATOM 507 CB LYS A 28 -8.151 -13.786 -11.970 1.00 0.00 C ATOM 508 CG LYS A 28 -7.795 -14.314 -13.350 1.00 0.00 C ATOM 509 CD LYS A 28 -8.110 -15.796 -13.475 1.00 0.00 C ATOM 510 CE LYS A 28 -8.780 -16.115 -14.802 1.00 0.00 C ATOM 511 NZ LYS A 28 -7.915 -15.760 -15.961 1.00 0.00 N ATOM 0 H LYS A 28 -9.079 -11.720 -10.942 1.00 0.00 H new ATOM 0 HA LYS A 28 -10.174 -13.711 -12.715 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.622 -12.848 -11.801 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.797 -14.491 -11.218 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.347 -13.758 -14.108 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.735 -14.148 -13.542 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.190 -16.373 -13.383 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.761 -16.101 -12.655 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.021 -17.177 -14.841 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.722 -15.572 -14.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.355 -16.100 -16.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.803 -14.727 -16.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.982 -16.205 -15.847 1.00 0.00 H new ATOM 525 N TYR A 29 -10.685 -14.074 -9.619 1.00 0.00 N ATOM 526 CA TYR A 29 -11.239 -14.949 -8.591 1.00 0.00 C ATOM 527 C TYR A 29 -12.761 -14.948 -8.642 1.00 0.00 C ATOM 528 O TYR A 29 -13.404 -15.944 -8.311 1.00 0.00 O ATOM 529 CB TYR A 29 -10.759 -14.523 -7.202 1.00 0.00 C ATOM 530 CG TYR A 29 -9.500 -15.224 -6.759 1.00 0.00 C ATOM 531 CD1 TYR A 29 -9.504 -16.580 -6.457 1.00 0.00 C ATOM 532 CD2 TYR A 29 -8.305 -14.531 -6.648 1.00 0.00 C ATOM 533 CE1 TYR A 29 -8.351 -17.224 -6.054 1.00 0.00 C ATOM 534 CE2 TYR A 29 -7.148 -15.166 -6.247 1.00 0.00 C ATOM 535 CZ TYR A 29 -7.174 -16.511 -5.950 1.00 0.00 C ATOM 536 OH TYR A 29 -6.021 -17.148 -5.549 1.00 0.00 O ATOM 0 H TYR A 29 -10.700 -13.082 -9.384 1.00 0.00 H new ATOM 0 HA TYR A 29 -10.886 -15.962 -8.787 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -10.586 -13.447 -7.201 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -11.549 -14.720 -6.477 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -10.424 -17.140 -6.539 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.279 -13.476 -6.879 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.370 -18.279 -5.822 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -6.225 -14.611 -6.166 1.00 0.00 H new ATOM 0 HH TYR A 29 -5.247 -16.583 -5.754 1.00 0.00 H new ATOM 546 N ALA A 30 -13.333 -13.829 -9.075 1.00 0.00 N ATOM 547 CA ALA A 30 -14.780 -13.708 -9.185 1.00 0.00 C ATOM 548 C ALA A 30 -15.282 -14.499 -10.386 1.00 0.00 C ATOM 549 O ALA A 30 -16.449 -14.884 -10.451 1.00 0.00 O ATOM 550 CB ALA A 30 -15.184 -12.248 -9.302 1.00 0.00 C ATOM 0 H ALA A 30 -12.817 -12.995 -9.355 1.00 0.00 H new ATOM 0 HA ALA A 30 -15.235 -14.117 -8.283 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -16.269 -12.176 -9.383 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -14.850 -11.706 -8.417 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -14.724 -11.813 -10.189 1.00 0.00 H new ATOM 556 N LYS A 31 -14.381 -14.738 -11.333 1.00 0.00 N ATOM 557 CA LYS A 31 -14.708 -15.483 -12.538 1.00 0.00 C ATOM 558 C LYS A 31 -14.590 -16.986 -12.296 1.00 0.00 C ATOM 559 O LYS A 31 -15.273 -17.785 -12.937 1.00 0.00 O ATOM 560 CB LYS A 31 -13.776 -15.058 -13.669 1.00 0.00 C ATOM 561 CG LYS A 31 -14.486 -14.817 -14.990 1.00 0.00 C ATOM 562 CD LYS A 31 -15.620 -13.812 -14.842 1.00 0.00 C ATOM 563 CE LYS A 31 -16.979 -14.470 -15.029 1.00 0.00 C ATOM 564 NZ LYS A 31 -17.109 -15.111 -16.368 1.00 0.00 N ATOM 0 H LYS A 31 -13.412 -14.423 -11.286 1.00 0.00 H new ATOM 0 HA LYS A 31 -15.739 -15.265 -12.816 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -13.255 -14.146 -13.375 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -13.017 -15.827 -13.810 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -13.770 -14.453 -15.727 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -14.882 -15.760 -15.368 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -15.571 -13.350 -13.856 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -15.498 -13.014 -15.574 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -17.129 -15.220 -14.252 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -17.763 -13.723 -14.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -18.114 -15.167 -16.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -16.597 -14.545 -17.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -16.707 -16.069 -16.335 1.00 0.00 H new ATOM 578 N LEU A 32 -13.717 -17.362 -11.366 1.00 0.00 N ATOM 579 CA LEU A 32 -13.499 -18.764 -11.037 1.00 0.00 C ATOM 580 C LEU A 32 -14.413 -19.221 -9.897 1.00 0.00 C ATOM 581 O LEU A 32 -14.380 -20.384 -9.495 1.00 0.00 O ATOM 582 CB LEU A 32 -12.037 -18.980 -10.649 1.00 0.00 C ATOM 583 CG LEU A 32 -11.611 -20.442 -10.491 1.00 0.00 C ATOM 584 CD1 LEU A 32 -10.874 -20.922 -11.732 1.00 0.00 C ATOM 585 CD2 LEU A 32 -10.740 -20.613 -9.254 1.00 0.00 C ATOM 0 H LEU A 32 -13.147 -16.711 -10.826 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.739 -19.360 -11.918 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.405 -18.514 -11.405 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.847 -18.460 -9.710 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.508 -21.049 -10.368 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.579 -21.963 -11.600 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.528 -20.837 -12.600 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.985 -20.310 -11.887 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.446 -21.658 -9.157 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.849 -19.993 -9.348 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.301 -20.310 -8.370 1.00 0.00 H new ATOM 597 N HIS A 33 -15.228 -18.305 -9.378 1.00 0.00 N ATOM 598 CA HIS A 33 -16.144 -18.629 -8.287 1.00 0.00 C ATOM 599 C HIS A 33 -17.562 -18.145 -8.597 1.00 0.00 C ATOM 600 O HIS A 33 -18.069 -17.231 -7.948 1.00 0.00 O ATOM 601 CB HIS A 33 -15.648 -18.006 -6.979 1.00 0.00 C ATOM 602 CG HIS A 33 -14.394 -18.637 -6.458 1.00 0.00 C ATOM 603 ND1 HIS A 33 -14.339 -19.336 -5.270 1.00 0.00 N ATOM 604 CD2 HIS A 33 -13.140 -18.675 -6.972 1.00 0.00 C ATOM 605 CE1 HIS A 33 -13.108 -19.775 -5.076 1.00 0.00 C ATOM 606 NE2 HIS A 33 -12.363 -19.388 -6.095 1.00 0.00 N ATOM 0 H HIS A 33 -15.273 -17.336 -9.694 1.00 0.00 H new ATOM 0 HA HIS A 33 -16.172 -19.713 -8.178 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -15.472 -16.942 -7.136 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -16.430 -18.092 -6.225 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -12.814 -18.227 -7.899 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -12.769 -20.352 -4.228 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -11.369 -19.587 -6.211 1.00 0.00 H new ATOM 615 N PRO A 34 -18.222 -18.758 -9.600 1.00 0.00 N ATOM 616 CA PRO A 34 -19.581 -18.390 -9.997 1.00 0.00 C ATOM 617 C PRO A 34 -20.633 -18.968 -9.054 1.00 0.00 C ATOM 618 O PRO A 34 -21.650 -18.331 -8.779 1.00 0.00 O ATOM 619 CB PRO A 34 -19.734 -18.999 -11.401 1.00 0.00 C ATOM 620 CG PRO A 34 -18.409 -19.616 -11.735 1.00 0.00 C ATOM 621 CD PRO A 34 -17.706 -19.847 -10.429 1.00 0.00 C ATOM 0 HA PRO A 34 -19.729 -17.310 -9.972 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -20.527 -19.747 -11.417 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -20.002 -18.234 -12.130 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -18.543 -20.553 -12.275 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -17.826 -18.958 -12.379 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -17.941 -20.825 -10.008 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -16.622 -19.798 -10.536 1.00 0.00 H new ATOM 629 N GLU A 35 -20.378 -20.175 -8.561 1.00 0.00 N ATOM 630 CA GLU A 35 -21.302 -20.837 -7.648 1.00 0.00 C ATOM 631 C GLU A 35 -20.767 -20.819 -6.220 1.00 0.00 C ATOM 632 O GLU A 35 -21.187 -21.611 -5.377 1.00 0.00 O ATOM 633 CB GLU A 35 -21.552 -22.279 -8.094 1.00 0.00 C ATOM 634 CG GLU A 35 -20.277 -23.081 -8.305 1.00 0.00 C ATOM 635 CD GLU A 35 -20.454 -24.551 -7.984 1.00 0.00 C ATOM 636 OE1 GLU A 35 -21.611 -25.021 -7.967 1.00 0.00 O ATOM 637 OE2 GLU A 35 -19.435 -25.235 -7.749 1.00 0.00 O ATOM 0 H GLU A 35 -19.540 -20.714 -8.778 1.00 0.00 H new ATOM 0 HA GLU A 35 -22.245 -20.290 -7.669 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -22.167 -22.780 -7.347 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -22.123 -22.269 -9.022 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -19.953 -22.975 -9.340 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -19.485 -22.669 -7.679 1.00 0.00 H new ATOM 644 N MET A 36 -19.839 -19.906 -5.958 1.00 0.00 N ATOM 645 CA MET A 36 -19.246 -19.774 -4.632 1.00 0.00 C ATOM 646 C MET A 36 -19.357 -18.335 -4.141 1.00 0.00 C ATOM 647 O MET A 36 -20.128 -17.543 -4.683 1.00 0.00 O ATOM 648 CB MET A 36 -17.777 -20.209 -4.653 1.00 0.00 C ATOM 649 CG MET A 36 -17.514 -21.440 -5.506 1.00 0.00 C ATOM 650 SD MET A 36 -16.408 -22.618 -4.705 1.00 0.00 S ATOM 651 CE MET A 36 -14.860 -22.251 -5.531 1.00 0.00 C ATOM 0 H MET A 36 -19.480 -19.245 -6.647 1.00 0.00 H new ATOM 0 HA MET A 36 -19.792 -20.423 -3.947 1.00 0.00 H new ATOM 0 HB2 MET A 36 -17.169 -19.384 -5.024 1.00 0.00 H new ATOM 0 HB3 MET A 36 -17.452 -20.410 -3.632 1.00 0.00 H new ATOM 0 HG2 MET A 36 -18.461 -21.931 -5.730 1.00 0.00 H new ATOM 0 HG3 MET A 36 -17.082 -21.132 -6.458 1.00 0.00 H new ATOM 0 HE1 MET A 36 -14.520 -23.132 -6.075 1.00 0.00 H new ATOM 0 HE2 MET A 36 -15.007 -21.428 -6.230 1.00 0.00 H new ATOM 0 HE3 MET A 36 -14.111 -21.969 -4.791 1.00 0.00 H new ATOM 661 N SER A 37 -18.583 -18.000 -3.116 1.00 0.00 N ATOM 662 CA SER A 37 -18.600 -16.653 -2.559 1.00 0.00 C ATOM 663 C SER A 37 -17.189 -16.085 -2.469 1.00 0.00 C ATOM 664 O SER A 37 -16.208 -16.827 -2.477 1.00 0.00 O ATOM 665 CB SER A 37 -19.248 -16.661 -1.172 1.00 0.00 C ATOM 666 OG SER A 37 -18.535 -17.500 -0.280 1.00 0.00 O ATOM 0 H SER A 37 -17.937 -18.641 -2.655 1.00 0.00 H new ATOM 0 HA SER A 37 -19.186 -16.019 -3.224 1.00 0.00 H new ATOM 0 HB2 SER A 37 -19.278 -15.646 -0.776 1.00 0.00 H new ATOM 0 HB3 SER A 37 -20.280 -17.003 -1.251 1.00 0.00 H new ATOM 0 HG SER A 37 -18.968 -17.486 0.599 1.00 0.00 H new ATOM 672 N ASN A 38 -17.097 -14.762 -2.376 1.00 0.00 N ATOM 673 CA ASN A 38 -15.809 -14.083 -2.276 1.00 0.00 C ATOM 674 C ASN A 38 -14.993 -14.619 -1.104 1.00 0.00 C ATOM 675 O ASN A 38 -13.777 -14.442 -1.050 1.00 0.00 O ATOM 676 CB ASN A 38 -16.022 -12.579 -2.108 1.00 0.00 C ATOM 677 CG ASN A 38 -16.688 -11.949 -3.316 1.00 0.00 C ATOM 678 OD1 ASN A 38 -16.706 -12.527 -4.402 1.00 0.00 O ATOM 679 ND2 ASN A 38 -17.242 -10.755 -3.130 1.00 0.00 N ATOM 0 H ASN A 38 -17.903 -14.136 -2.368 1.00 0.00 H new ATOM 0 HA ASN A 38 -15.256 -14.273 -3.196 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -16.634 -12.398 -1.224 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -15.060 -12.096 -1.934 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -17.706 -10.282 -3.905 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -17.203 -10.312 -2.212 1.00 0.00 H new ATOM 686 N LEU A 39 -15.666 -15.274 -0.166 1.00 0.00 N ATOM 687 CA LEU A 39 -14.994 -15.833 1.002 1.00 0.00 C ATOM 688 C LEU A 39 -14.159 -17.047 0.611 1.00 0.00 C ATOM 689 O LEU A 39 -13.020 -17.198 1.049 1.00 0.00 O ATOM 690 CB LEU A 39 -16.016 -16.219 2.074 1.00 0.00 C ATOM 691 CG LEU A 39 -16.071 -15.281 3.281 1.00 0.00 C ATOM 692 CD1 LEU A 39 -14.766 -15.337 4.058 1.00 0.00 C ATOM 693 CD2 LEU A 39 -16.373 -13.858 2.837 1.00 0.00 C ATOM 0 H LEU A 39 -16.674 -15.431 -0.190 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.330 -15.071 1.410 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -17.004 -16.256 1.616 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -15.790 -17.226 2.425 1.00 0.00 H new ATOM 0 HG LEU A 39 -16.875 -15.611 3.939 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -14.823 -14.664 4.913 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -14.594 -16.355 4.408 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -13.944 -15.033 3.410 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -16.408 -13.205 3.709 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -15.592 -13.515 2.158 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -17.335 -13.833 2.326 1.00 0.00 H new ATOM 705 N ASP A 40 -14.733 -17.908 -0.225 1.00 0.00 N ATOM 706 CA ASP A 40 -14.040 -19.106 -0.684 1.00 0.00 C ATOM 707 C ASP A 40 -12.731 -18.735 -1.373 1.00 0.00 C ATOM 708 O ASP A 40 -11.698 -19.364 -1.146 1.00 0.00 O ATOM 709 CB ASP A 40 -14.929 -19.900 -1.643 1.00 0.00 C ATOM 710 CG ASP A 40 -15.771 -20.938 -0.928 1.00 0.00 C ATOM 711 OD1 ASP A 40 -15.323 -21.442 0.123 1.00 0.00 O ATOM 712 OD2 ASP A 40 -16.878 -21.244 -1.418 1.00 0.00 O ATOM 0 H ASP A 40 -15.676 -17.798 -0.598 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.815 -19.726 0.184 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.583 -19.213 -2.180 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.305 -20.393 -2.388 1.00 0.00 H new ATOM 717 N LEU A 41 -12.787 -17.708 -2.211 1.00 0.00 N ATOM 718 CA LEU A 41 -11.612 -17.240 -2.937 1.00 0.00 C ATOM 719 C LEU A 41 -10.691 -16.432 -2.025 1.00 0.00 C ATOM 720 O LEU A 41 -9.469 -16.547 -2.108 1.00 0.00 O ATOM 721 CB LEU A 41 -12.029 -16.399 -4.149 1.00 0.00 C ATOM 722 CG LEU A 41 -13.298 -15.560 -3.970 1.00 0.00 C ATOM 723 CD1 LEU A 41 -13.142 -14.197 -4.626 1.00 0.00 C ATOM 724 CD2 LEU A 41 -14.500 -16.293 -4.549 1.00 0.00 C ATOM 0 H LEU A 41 -13.638 -17.180 -2.406 1.00 0.00 H new ATOM 0 HA LEU A 41 -11.064 -18.114 -3.289 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.207 -15.731 -4.405 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -12.173 -17.066 -4.999 1.00 0.00 H new ATOM 0 HG LEU A 41 -13.461 -15.407 -2.903 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -14.056 -13.619 -4.486 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -12.305 -13.668 -4.171 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -12.954 -14.326 -5.692 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -15.395 -15.686 -4.415 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -14.339 -16.473 -5.612 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -14.627 -17.246 -4.035 1.00 0.00 H new ATOM 736 N THR A 42 -11.278 -15.615 -1.154 1.00 0.00 N ATOM 737 CA THR A 42 -10.496 -14.795 -0.232 1.00 0.00 C ATOM 738 C THR A 42 -9.544 -15.664 0.585 1.00 0.00 C ATOM 739 O THR A 42 -8.390 -15.299 0.808 1.00 0.00 O ATOM 740 CB THR A 42 -11.424 -13.998 0.689 1.00 0.00 C ATOM 741 OG1 THR A 42 -12.139 -13.021 -0.048 1.00 0.00 O ATOM 742 CG2 THR A 42 -10.703 -13.276 1.806 1.00 0.00 C ATOM 0 H THR A 42 -12.288 -15.503 -1.067 1.00 0.00 H new ATOM 0 HA THR A 42 -9.900 -14.092 -0.814 1.00 0.00 H new ATOM 0 HB THR A 42 -12.089 -14.741 1.130 1.00 0.00 H new ATOM 0 HG1 THR A 42 -13.035 -13.359 -0.257 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.426 -12.734 2.415 1.00 0.00 H new ATOM 0 HG22 THR A 42 -10.176 -14.000 2.427 1.00 0.00 H new ATOM 0 HG23 THR A 42 -9.987 -12.572 1.382 1.00 0.00 H new ATOM 750 N LYS A 43 -10.029 -16.822 1.017 1.00 0.00 N ATOM 751 CA LYS A 43 -9.215 -17.748 1.794 1.00 0.00 C ATOM 752 C LYS A 43 -8.017 -18.205 0.963 1.00 0.00 C ATOM 753 O LYS A 43 -6.901 -18.325 1.470 1.00 0.00 O ATOM 754 CB LYS A 43 -10.068 -18.947 2.241 1.00 0.00 C ATOM 755 CG LYS A 43 -9.316 -20.272 2.303 1.00 0.00 C ATOM 756 CD LYS A 43 -9.488 -21.065 1.018 1.00 0.00 C ATOM 757 CE LYS A 43 -10.550 -22.142 1.166 1.00 0.00 C ATOM 758 NZ LYS A 43 -11.142 -22.522 -0.146 1.00 0.00 N ATOM 0 H LYS A 43 -10.982 -17.142 0.842 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.842 -17.245 2.686 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -10.484 -18.734 3.226 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -10.909 -19.053 1.556 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.257 -20.084 2.478 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -9.679 -20.859 3.147 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -9.763 -20.391 0.207 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.539 -21.524 0.743 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.111 -23.023 1.635 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -11.338 -21.786 1.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.982 -23.115 0.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.416 -21.663 -0.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.442 -23.054 -0.702 1.00 0.00 H new ATOM 772 N ILE A 44 -8.266 -18.454 -0.316 1.00 0.00 N ATOM 773 CA ILE A 44 -7.227 -18.893 -1.241 1.00 0.00 C ATOM 774 C ILE A 44 -6.027 -17.947 -1.216 1.00 0.00 C ATOM 775 O ILE A 44 -4.877 -18.387 -1.183 1.00 0.00 O ATOM 776 CB ILE A 44 -7.768 -18.976 -2.685 1.00 0.00 C ATOM 777 CG1 ILE A 44 -8.964 -19.926 -2.759 1.00 0.00 C ATOM 778 CG2 ILE A 44 -6.682 -19.424 -3.648 1.00 0.00 C ATOM 779 CD1 ILE A 44 -9.638 -19.931 -4.113 1.00 0.00 C ATOM 0 H ILE A 44 -9.188 -18.358 -0.741 1.00 0.00 H new ATOM 0 HA ILE A 44 -6.910 -19.884 -0.915 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.096 -17.978 -2.977 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -8.632 -20.937 -2.522 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -9.692 -19.643 -1.999 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.089 -19.474 -4.658 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.858 -18.711 -3.624 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.319 -20.409 -3.354 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -10.478 -20.625 -4.099 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -9.999 -18.929 -4.343 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -8.923 -20.243 -4.874 1.00 0.00 H new ATOM 791 N LEU A 45 -6.307 -16.649 -1.242 1.00 0.00 N ATOM 792 CA LEU A 45 -5.257 -15.636 -1.233 1.00 0.00 C ATOM 793 C LEU A 45 -4.659 -15.459 0.159 1.00 0.00 C ATOM 794 O LEU A 45 -3.495 -15.086 0.296 1.00 0.00 O ATOM 795 CB LEU A 45 -5.819 -14.310 -1.735 1.00 0.00 C ATOM 796 CG LEU A 45 -6.216 -14.310 -3.209 1.00 0.00 C ATOM 797 CD1 LEU A 45 -7.092 -13.112 -3.527 1.00 0.00 C ATOM 798 CD2 LEU A 45 -4.978 -14.323 -4.088 1.00 0.00 C ATOM 0 H LEU A 45 -7.254 -16.272 -1.270 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.458 -15.970 -1.895 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.692 -14.050 -1.136 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.076 -13.529 -1.572 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.792 -15.212 -3.414 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.364 -13.130 -4.582 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.996 -13.150 -2.918 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.546 -12.194 -3.309 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.276 -14.323 -5.136 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.376 -13.438 -3.882 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.392 -15.218 -3.878 1.00 0.00 H new ATOM 810 N SER A 46 -5.451 -15.738 1.185 1.00 0.00 N ATOM 811 CA SER A 46 -4.979 -15.613 2.558 1.00 0.00 C ATOM 812 C SER A 46 -4.173 -16.842 2.954 1.00 0.00 C ATOM 813 O SER A 46 -3.358 -16.797 3.876 1.00 0.00 O ATOM 814 CB SER A 46 -6.157 -15.413 3.516 1.00 0.00 C ATOM 815 OG SER A 46 -5.822 -15.812 4.835 1.00 0.00 O ATOM 0 H SER A 46 -6.418 -16.051 1.095 1.00 0.00 H new ATOM 0 HA SER A 46 -4.332 -14.738 2.623 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.455 -14.364 3.516 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.014 -15.988 3.166 1.00 0.00 H new ATOM 0 HG SER A 46 -6.592 -15.672 5.425 1.00 0.00 H new ATOM 821 N LYS A 47 -4.404 -17.936 2.243 1.00 0.00 N ATOM 822 CA LYS A 47 -3.711 -19.180 2.493 1.00 0.00 C ATOM 823 C LYS A 47 -2.410 -19.238 1.699 1.00 0.00 C ATOM 824 O LYS A 47 -1.366 -19.622 2.224 1.00 0.00 O ATOM 825 CB LYS A 47 -4.618 -20.339 2.105 1.00 0.00 C ATOM 826 CG LYS A 47 -4.167 -21.678 2.659 1.00 0.00 C ATOM 827 CD LYS A 47 -4.279 -21.714 4.173 1.00 0.00 C ATOM 828 CE LYS A 47 -3.209 -22.596 4.794 1.00 0.00 C ATOM 829 NZ LYS A 47 -3.796 -23.759 5.516 1.00 0.00 N ATOM 0 H LYS A 47 -5.078 -17.981 1.478 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.463 -19.248 3.552 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.629 -20.132 2.457 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.666 -20.403 1.018 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.773 -22.475 2.228 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.135 -21.867 2.364 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.192 -20.702 4.569 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.265 -22.083 4.456 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.537 -22.955 4.014 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.608 -22.005 5.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.033 -24.335 5.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.417 -23.418 6.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.348 -24.338 4.851 1.00 0.00 H new ATOM 843 N LYS A 48 -2.484 -18.848 0.431 1.00 0.00 N ATOM 844 CA LYS A 48 -1.314 -18.847 -0.438 1.00 0.00 C ATOM 845 C LYS A 48 -0.317 -17.781 -0.003 1.00 0.00 C ATOM 846 O LYS A 48 0.856 -18.073 0.235 1.00 0.00 O ATOM 847 CB LYS A 48 -1.731 -18.604 -1.891 1.00 0.00 C ATOM 848 CG LYS A 48 -2.324 -19.829 -2.568 1.00 0.00 C ATOM 849 CD LYS A 48 -3.526 -19.467 -3.426 1.00 0.00 C ATOM 850 CE LYS A 48 -3.184 -19.494 -4.906 1.00 0.00 C ATOM 851 NZ LYS A 48 -1.939 -18.732 -5.205 1.00 0.00 N ATOM 0 H LYS A 48 -3.343 -18.528 -0.018 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.835 -19.823 -0.362 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.460 -17.795 -1.920 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.862 -18.271 -2.458 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.565 -20.307 -3.187 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.622 -20.555 -1.812 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.339 -20.165 -3.227 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.884 -18.474 -3.152 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.064 -20.527 -5.232 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.012 -19.074 -5.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.973 -18.383 -6.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.860 -17.926 -4.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.114 -19.355 -5.088 1.00 0.00 H new ATOM 865 N TYR A 49 -0.791 -16.540 0.099 1.00 0.00 N ATOM 866 CA TYR A 49 0.050 -15.420 0.504 1.00 0.00 C ATOM 867 C TYR A 49 0.937 -15.781 1.692 1.00 0.00 C ATOM 868 O TYR A 49 2.130 -15.480 1.700 1.00 0.00 O ATOM 869 CB TYR A 49 -0.818 -14.214 0.854 1.00 0.00 C ATOM 870 CG TYR A 49 -0.031 -12.935 0.964 1.00 0.00 C ATOM 871 CD1 TYR A 49 0.259 -12.183 -0.164 1.00 0.00 C ATOM 872 CD2 TYR A 49 0.429 -12.487 2.193 1.00 0.00 C ATOM 873 CE1 TYR A 49 0.989 -11.016 -0.071 1.00 0.00 C ATOM 874 CE2 TYR A 49 1.160 -11.321 2.297 1.00 0.00 C ATOM 875 CZ TYR A 49 1.438 -10.588 1.162 1.00 0.00 C ATOM 876 OH TYR A 49 2.165 -9.427 1.262 1.00 0.00 O ATOM 0 H TYR A 49 -1.760 -16.286 -0.095 1.00 0.00 H new ATOM 0 HA TYR A 49 0.699 -15.173 -0.336 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.589 -14.095 0.093 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.328 -14.402 1.798 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -0.092 -12.516 -1.130 1.00 0.00 H new ATOM 0 HD2 TYR A 49 0.212 -13.059 3.083 1.00 0.00 H new ATOM 0 HE1 TYR A 49 1.208 -10.440 -0.958 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.512 -10.985 3.261 1.00 0.00 H new ATOM 0 HH TYR A 49 2.402 -9.269 2.200 1.00 0.00 H new ATOM 886 N LYS A 50 0.351 -16.424 2.694 1.00 0.00 N ATOM 887 CA LYS A 50 1.101 -16.821 3.880 1.00 0.00 C ATOM 888 C LYS A 50 1.992 -18.018 3.574 1.00 0.00 C ATOM 889 O LYS A 50 3.194 -17.995 3.839 1.00 0.00 O ATOM 890 CB LYS A 50 0.148 -17.160 5.026 1.00 0.00 C ATOM 891 CG LYS A 50 -0.609 -15.958 5.568 1.00 0.00 C ATOM 892 CD LYS A 50 0.317 -14.780 5.841 1.00 0.00 C ATOM 893 CE LYS A 50 1.492 -15.177 6.723 1.00 0.00 C ATOM 894 NZ LYS A 50 1.056 -15.542 8.099 1.00 0.00 N ATOM 0 H LYS A 50 -0.636 -16.681 2.710 1.00 0.00 H new ATOM 0 HA LYS A 50 1.731 -15.984 4.181 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.569 -17.905 4.682 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.716 -17.616 5.837 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.376 -15.659 4.853 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.123 -16.237 6.488 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.689 -14.384 4.896 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.245 -13.980 6.323 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.015 -16.020 6.272 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.202 -14.352 6.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.886 -15.806 8.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.579 -14.729 8.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.398 -16.346 8.053 1.00 0.00 H new ATOM 908 N GLU A 51 1.392 -19.059 3.010 1.00 0.00 N ATOM 909 CA GLU A 51 2.126 -20.270 2.660 1.00 0.00 C ATOM 910 C GLU A 51 3.297 -19.949 1.731 1.00 0.00 C ATOM 911 O GLU A 51 4.275 -20.695 1.670 1.00 0.00 O ATOM 912 CB GLU A 51 1.192 -21.283 1.997 1.00 0.00 C ATOM 913 CG GLU A 51 1.654 -22.724 2.146 1.00 0.00 C ATOM 914 CD GLU A 51 2.646 -23.131 1.076 1.00 0.00 C ATOM 915 OE1 GLU A 51 2.396 -22.834 -0.110 1.00 0.00 O ATOM 916 OE2 GLU A 51 3.674 -23.751 1.425 1.00 0.00 O ATOM 0 H GLU A 51 0.398 -19.089 2.785 1.00 0.00 H new ATOM 0 HA GLU A 51 2.525 -20.703 3.578 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.196 -21.183 2.428 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.106 -21.046 0.937 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.109 -22.856 3.128 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.789 -23.385 2.104 1.00 0.00 H new ATOM 923 N LEU A 52 3.192 -18.832 1.013 1.00 0.00 N ATOM 924 CA LEU A 52 4.242 -18.410 0.090 1.00 0.00 C ATOM 925 C LEU A 52 5.600 -18.366 0.788 1.00 0.00 C ATOM 926 O LEU A 52 5.748 -17.731 1.831 1.00 0.00 O ATOM 927 CB LEU A 52 3.913 -17.030 -0.492 1.00 0.00 C ATOM 928 CG LEU A 52 3.455 -17.034 -1.953 1.00 0.00 C ATOM 929 CD1 LEU A 52 2.133 -16.297 -2.106 1.00 0.00 C ATOM 930 CD2 LEU A 52 4.516 -16.407 -2.845 1.00 0.00 C ATOM 0 H LEU A 52 2.390 -18.203 1.053 1.00 0.00 H new ATOM 0 HA LEU A 52 4.293 -19.139 -0.719 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.132 -16.573 0.116 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.796 -16.397 -0.406 1.00 0.00 H new ATOM 0 HG LEU A 52 3.308 -18.069 -2.261 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.827 -16.312 -3.152 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.372 -16.785 -1.498 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.252 -15.264 -1.778 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.174 -16.418 -3.880 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.693 -15.378 -2.532 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.443 -16.975 -2.763 1.00 0.00 H new ATOM 942 N PRO A 53 6.616 -19.038 0.215 1.00 0.00 N ATOM 943 CA PRO A 53 7.970 -19.065 0.788 1.00 0.00 C ATOM 944 C PRO A 53 8.654 -17.707 0.765 1.00 0.00 C ATOM 945 O PRO A 53 9.881 -17.619 0.799 1.00 0.00 O ATOM 946 CB PRO A 53 8.738 -20.014 -0.127 1.00 0.00 C ATOM 947 CG PRO A 53 7.955 -20.076 -1.395 1.00 0.00 C ATOM 948 CD PRO A 53 6.524 -19.822 -1.027 1.00 0.00 C ATOM 0 HA PRO A 53 7.936 -19.367 1.835 1.00 0.00 H new ATOM 0 HB2 PRO A 53 9.749 -19.650 -0.309 1.00 0.00 H new ATOM 0 HB3 PRO A 53 8.832 -21.002 0.324 1.00 0.00 H new ATOM 0 HG2 PRO A 53 8.310 -19.331 -2.107 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.066 -21.050 -1.872 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.001 -19.272 -1.810 1.00 0.00 H new ATOM 0 HD3 PRO A 53 5.979 -20.753 -0.873 1.00 0.00 H new ATOM 956 N GLU A 54 7.861 -16.655 0.678 1.00 0.00 N ATOM 957 CA GLU A 54 8.384 -15.296 0.615 1.00 0.00 C ATOM 958 C GLU A 54 9.387 -15.156 -0.525 1.00 0.00 C ATOM 959 O GLU A 54 10.146 -14.188 -0.577 1.00 0.00 O ATOM 960 CB GLU A 54 9.031 -14.875 1.943 1.00 0.00 C ATOM 961 CG GLU A 54 9.003 -15.943 3.026 1.00 0.00 C ATOM 962 CD GLU A 54 9.286 -15.384 4.407 1.00 0.00 C ATOM 963 OE1 GLU A 54 10.432 -14.950 4.647 1.00 0.00 O ATOM 964 OE2 GLU A 54 8.361 -15.379 5.247 1.00 0.00 O ATOM 0 H GLU A 54 6.843 -16.714 0.649 1.00 0.00 H new ATOM 0 HA GLU A 54 7.540 -14.632 0.427 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.067 -14.594 1.755 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.522 -13.986 2.314 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.026 -16.427 3.028 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.740 -16.712 2.792 1.00 0.00 H new ATOM 971 N LYS A 55 9.388 -16.125 -1.443 1.00 0.00 N ATOM 972 CA LYS A 55 10.300 -16.086 -2.574 1.00 0.00 C ATOM 973 C LYS A 55 9.734 -15.211 -3.691 1.00 0.00 C ATOM 974 O LYS A 55 10.483 -14.609 -4.460 1.00 0.00 O ATOM 975 CB LYS A 55 10.577 -17.502 -3.092 1.00 0.00 C ATOM 976 CG LYS A 55 9.449 -18.092 -3.925 1.00 0.00 C ATOM 977 CD LYS A 55 9.701 -17.908 -5.412 1.00 0.00 C ATOM 978 CE LYS A 55 10.852 -18.776 -5.893 1.00 0.00 C ATOM 979 NZ LYS A 55 10.651 -20.209 -5.543 1.00 0.00 N ATOM 0 H LYS A 55 8.771 -16.937 -1.421 1.00 0.00 H new ATOM 0 HA LYS A 55 11.242 -15.651 -2.239 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.487 -17.486 -3.692 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.767 -18.157 -2.242 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.346 -19.154 -3.701 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.507 -17.616 -3.653 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.798 -18.158 -5.969 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.923 -16.861 -5.618 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.954 -18.677 -6.974 1.00 0.00 H new ATOM 0 HE3 LYS A 55 11.783 -18.422 -5.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 11.309 -20.797 -6.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.831 -20.347 -4.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.673 -20.486 -5.762 1.00 0.00 H new ATOM 993 N LYS A 56 8.405 -15.138 -3.767 1.00 0.00 N ATOM 994 CA LYS A 56 7.743 -14.328 -4.781 1.00 0.00 C ATOM 995 C LYS A 56 7.279 -12.999 -4.192 1.00 0.00 C ATOM 996 O LYS A 56 7.067 -12.026 -4.917 1.00 0.00 O ATOM 997 CB LYS A 56 6.552 -15.083 -5.374 1.00 0.00 C ATOM 998 CG LYS A 56 6.922 -16.437 -5.957 1.00 0.00 C ATOM 999 CD LYS A 56 6.027 -16.799 -7.132 1.00 0.00 C ATOM 1000 CE LYS A 56 6.757 -17.674 -8.139 1.00 0.00 C ATOM 1001 NZ LYS A 56 6.473 -17.264 -9.542 1.00 0.00 N ATOM 0 H LYS A 56 7.770 -15.630 -3.139 1.00 0.00 H new ATOM 0 HA LYS A 56 8.461 -14.124 -5.575 1.00 0.00 H new ATOM 0 HB2 LYS A 56 5.799 -15.224 -4.599 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.097 -14.473 -6.154 1.00 0.00 H new ATOM 0 HG2 LYS A 56 7.963 -16.423 -6.281 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.839 -17.202 -5.185 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.142 -17.321 -6.769 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.682 -15.889 -7.622 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.830 -17.620 -7.956 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.461 -18.714 -7.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.990 -17.885 -10.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.452 -17.339 -9.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.779 -16.280 -9.685 1.00 0.00 H new ATOM 1015 N LYS A 57 7.126 -12.968 -2.871 1.00 0.00 N ATOM 1016 CA LYS A 57 6.689 -11.761 -2.180 1.00 0.00 C ATOM 1017 C LYS A 57 7.778 -10.706 -2.234 1.00 0.00 C ATOM 1018 O LYS A 57 7.494 -9.517 -2.367 1.00 0.00 O ATOM 1019 CB LYS A 57 6.328 -12.069 -0.729 1.00 0.00 C ATOM 1020 CG LYS A 57 5.637 -13.404 -0.563 1.00 0.00 C ATOM 1021 CD LYS A 57 4.131 -13.263 -0.559 1.00 0.00 C ATOM 1022 CE LYS A 57 3.580 -13.241 0.857 1.00 0.00 C ATOM 1023 NZ LYS A 57 4.118 -12.097 1.642 1.00 0.00 N ATOM 0 H LYS A 57 7.298 -13.765 -2.259 1.00 0.00 H new ATOM 0 HA LYS A 57 5.800 -11.380 -2.682 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.235 -12.058 -0.124 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.680 -11.281 -0.346 1.00 0.00 H new ATOM 0 HG2 LYS A 57 5.937 -14.071 -1.371 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.961 -13.867 0.369 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.849 -12.345 -1.075 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.685 -14.090 -1.112 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.492 -13.179 0.823 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.830 -14.176 1.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.422 -11.810 2.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.001 -12.383 2.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.308 -11.297 1.005 1.00 0.00 H new ATOM 1037 N MET A 58 9.033 -11.148 -2.167 1.00 0.00 N ATOM 1038 CA MET A 58 10.164 -10.230 -2.248 1.00 0.00 C ATOM 1039 C MET A 58 9.960 -9.284 -3.423 1.00 0.00 C ATOM 1040 O MET A 58 10.421 -8.144 -3.416 1.00 0.00 O ATOM 1041 CB MET A 58 11.467 -11.010 -2.421 1.00 0.00 C ATOM 1042 CG MET A 58 12.136 -11.378 -1.107 1.00 0.00 C ATOM 1043 SD MET A 58 13.859 -11.866 -1.317 1.00 0.00 S ATOM 1044 CE MET A 58 14.700 -10.479 -0.561 1.00 0.00 C ATOM 0 H MET A 58 9.289 -12.129 -2.058 1.00 0.00 H new ATOM 0 HA MET A 58 10.227 -9.654 -1.325 1.00 0.00 H new ATOM 0 HB2 MET A 58 11.263 -11.922 -2.983 1.00 0.00 H new ATOM 0 HB3 MET A 58 12.159 -10.416 -3.018 1.00 0.00 H new ATOM 0 HG2 MET A 58 12.084 -10.528 -0.427 1.00 0.00 H new ATOM 0 HG3 MET A 58 11.586 -12.195 -0.640 1.00 0.00 H new ATOM 0 HE1 MET A 58 15.778 -10.634 -0.613 1.00 0.00 H new ATOM 0 HE2 MET A 58 14.439 -9.563 -1.091 1.00 0.00 H new ATOM 0 HE3 MET A 58 14.396 -10.394 0.482 1.00 0.00 H new ATOM 1054 N LYS A 59 9.230 -9.775 -4.421 1.00 0.00 N ATOM 1055 CA LYS A 59 8.909 -9.003 -5.604 1.00 0.00 C ATOM 1056 C LYS A 59 7.764 -8.051 -5.298 1.00 0.00 C ATOM 1057 O LYS A 59 7.786 -6.883 -5.684 1.00 0.00 O ATOM 1058 CB LYS A 59 8.529 -9.947 -6.748 1.00 0.00 C ATOM 1059 CG LYS A 59 7.098 -9.795 -7.248 1.00 0.00 C ATOM 1060 CD LYS A 59 6.829 -10.684 -8.451 1.00 0.00 C ATOM 1061 CE LYS A 59 6.954 -9.910 -9.755 1.00 0.00 C ATOM 1062 NZ LYS A 59 8.365 -9.845 -10.229 1.00 0.00 N ATOM 0 H LYS A 59 8.847 -10.720 -4.426 1.00 0.00 H new ATOM 0 HA LYS A 59 9.779 -8.419 -5.906 1.00 0.00 H new ATOM 0 HB2 LYS A 59 9.211 -9.779 -7.582 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.677 -10.975 -6.417 1.00 0.00 H new ATOM 0 HG2 LYS A 59 6.403 -10.046 -6.447 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.914 -8.754 -7.515 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.531 -11.518 -8.453 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.829 -11.110 -8.374 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.336 -10.383 -10.518 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.571 -8.899 -9.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 8.383 -9.542 -11.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 8.895 -9.163 -9.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 8.803 -10.784 -10.145 1.00 0.00 H new ATOM 1076 N TYR A 60 6.759 -8.566 -4.597 1.00 0.00 N ATOM 1077 CA TYR A 60 5.601 -7.756 -4.235 1.00 0.00 C ATOM 1078 C TYR A 60 5.978 -6.691 -3.215 1.00 0.00 C ATOM 1079 O TYR A 60 5.680 -5.511 -3.395 1.00 0.00 O ATOM 1080 CB TYR A 60 4.499 -8.623 -3.644 1.00 0.00 C ATOM 1081 CG TYR A 60 4.030 -9.740 -4.546 1.00 0.00 C ATOM 1082 CD1 TYR A 60 3.873 -9.539 -5.912 1.00 0.00 C ATOM 1083 CD2 TYR A 60 3.733 -10.991 -4.026 1.00 0.00 C ATOM 1084 CE1 TYR A 60 3.434 -10.558 -6.733 1.00 0.00 C ATOM 1085 CE2 TYR A 60 3.293 -12.013 -4.839 1.00 0.00 C ATOM 1086 CZ TYR A 60 3.146 -11.794 -6.193 1.00 0.00 C ATOM 1087 OH TYR A 60 2.706 -12.812 -7.008 1.00 0.00 O ATOM 0 H TYR A 60 6.722 -9.532 -4.271 1.00 0.00 H new ATOM 0 HA TYR A 60 5.244 -7.277 -5.147 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.855 -9.054 -2.708 1.00 0.00 H new ATOM 0 HB3 TYR A 60 3.647 -7.989 -3.399 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.098 -8.572 -6.337 1.00 0.00 H new ATOM 0 HD2 TYR A 60 3.848 -11.167 -2.967 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.317 -10.388 -7.793 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.064 -12.981 -4.418 1.00 0.00 H new ATOM 0 HH TYR A 60 2.550 -13.617 -6.471 1.00 0.00 H new ATOM 1097 N ILE A 61 6.626 -7.118 -2.133 1.00 0.00 N ATOM 1098 CA ILE A 61 7.028 -6.195 -1.079 1.00 0.00 C ATOM 1099 C ILE A 61 7.945 -5.115 -1.638 1.00 0.00 C ATOM 1100 O ILE A 61 7.847 -3.949 -1.256 1.00 0.00 O ATOM 1101 CB ILE A 61 7.733 -6.914 0.096 1.00 0.00 C ATOM 1102 CG1 ILE A 61 6.732 -7.742 0.911 1.00 0.00 C ATOM 1103 CG2 ILE A 61 8.416 -5.896 0.999 1.00 0.00 C ATOM 1104 CD1 ILE A 61 5.932 -8.734 0.094 1.00 0.00 C ATOM 0 H ILE A 61 6.882 -8.091 -1.965 1.00 0.00 H new ATOM 0 HA ILE A 61 6.115 -5.741 -0.693 1.00 0.00 H new ATOM 0 HB ILE A 61 8.482 -7.588 -0.319 1.00 0.00 H new ATOM 0 HG12 ILE A 61 7.273 -8.282 1.688 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.043 -7.064 1.414 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.909 -6.413 1.822 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.157 -5.339 0.425 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.672 -5.206 1.397 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.249 -9.277 0.748 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.360 -8.202 -0.666 1.00 0.00 H new ATOM 0 HD13 ILE A 61 6.610 -9.439 -0.388 1.00 0.00 H new ATOM 1116 N GLN A 62 8.818 -5.500 -2.563 1.00 0.00 N ATOM 1117 CA GLN A 62 9.719 -4.543 -3.181 1.00 0.00 C ATOM 1118 C GLN A 62 8.911 -3.576 -4.022 1.00 0.00 C ATOM 1119 O GLN A 62 9.306 -2.430 -4.236 1.00 0.00 O ATOM 1120 CB GLN A 62 10.770 -5.254 -4.040 1.00 0.00 C ATOM 1121 CG GLN A 62 10.251 -5.784 -5.367 1.00 0.00 C ATOM 1122 CD GLN A 62 11.186 -5.480 -6.522 1.00 0.00 C ATOM 1123 OE1 GLN A 62 11.338 -4.328 -6.927 1.00 0.00 O ATOM 1124 NE2 GLN A 62 11.821 -6.516 -7.057 1.00 0.00 N ATOM 0 H GLN A 62 8.918 -6.459 -2.896 1.00 0.00 H new ATOM 0 HA GLN A 62 10.248 -3.995 -2.401 1.00 0.00 H new ATOM 0 HB2 GLN A 62 11.589 -4.562 -4.236 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.185 -6.085 -3.469 1.00 0.00 H new ATOM 0 HG2 GLN A 62 10.109 -6.862 -5.293 1.00 0.00 H new ATOM 0 HG3 GLN A 62 9.273 -5.347 -5.571 1.00 0.00 H new ATOM 0 HE21 GLN A 62 11.665 -7.455 -6.690 1.00 0.00 H new ATOM 0 HE22 GLN A 62 12.465 -6.373 -7.835 1.00 0.00 H new ATOM 1133 N ASP A 63 7.761 -4.055 -4.487 1.00 0.00 N ATOM 1134 CA ASP A 63 6.870 -3.244 -5.295 1.00 0.00 C ATOM 1135 C ASP A 63 6.088 -2.284 -4.405 1.00 0.00 C ATOM 1136 O ASP A 63 5.611 -1.244 -4.859 1.00 0.00 O ATOM 1137 CB ASP A 63 5.909 -4.131 -6.089 1.00 0.00 C ATOM 1138 CG ASP A 63 5.682 -3.620 -7.497 1.00 0.00 C ATOM 1139 OD1 ASP A 63 6.577 -3.809 -8.348 1.00 0.00 O ATOM 1140 OD2 ASP A 63 4.609 -3.033 -7.751 1.00 0.00 O ATOM 0 H ASP A 63 7.428 -5.004 -4.315 1.00 0.00 H new ATOM 0 HA ASP A 63 7.468 -2.666 -6.000 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.307 -5.145 -6.133 1.00 0.00 H new ATOM 0 HB3 ASP A 63 4.954 -4.186 -5.567 1.00 0.00 H new ATOM 1145 N PHE A 64 5.966 -2.649 -3.133 1.00 0.00 N ATOM 1146 CA PHE A 64 5.249 -1.839 -2.161 1.00 0.00 C ATOM 1147 C PHE A 64 6.202 -0.866 -1.463 1.00 0.00 C ATOM 1148 O PHE A 64 5.823 0.257 -1.132 1.00 0.00 O ATOM 1149 CB PHE A 64 4.564 -2.760 -1.141 1.00 0.00 C ATOM 1150 CG PHE A 64 4.793 -2.385 0.294 1.00 0.00 C ATOM 1151 CD1 PHE A 64 4.058 -1.371 0.885 1.00 0.00 C ATOM 1152 CD2 PHE A 64 5.743 -3.049 1.048 1.00 0.00 C ATOM 1153 CE1 PHE A 64 4.268 -1.024 2.205 1.00 0.00 C ATOM 1154 CE2 PHE A 64 5.960 -2.708 2.370 1.00 0.00 C ATOM 1155 CZ PHE A 64 5.221 -1.693 2.950 1.00 0.00 C ATOM 0 H PHE A 64 6.359 -3.509 -2.751 1.00 0.00 H new ATOM 0 HA PHE A 64 4.490 -1.248 -2.673 1.00 0.00 H new ATOM 0 HB2 PHE A 64 3.491 -2.761 -1.336 1.00 0.00 H new ATOM 0 HB3 PHE A 64 4.917 -3.779 -1.297 1.00 0.00 H new ATOM 0 HD1 PHE A 64 3.312 -0.846 0.307 1.00 0.00 H new ATOM 0 HD2 PHE A 64 6.322 -3.843 0.599 1.00 0.00 H new ATOM 0 HE1 PHE A 64 3.689 -0.231 2.655 1.00 0.00 H new ATOM 0 HE2 PHE A 64 6.705 -3.233 2.949 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.388 -1.424 3.982 1.00 0.00 H new ATOM 1165 N GLN A 65 7.433 -1.314 -1.237 1.00 0.00 N ATOM 1166 CA GLN A 65 8.438 -0.493 -0.570 1.00 0.00 C ATOM 1167 C GLN A 65 9.049 0.531 -1.521 1.00 0.00 C ATOM 1168 O GLN A 65 9.274 1.681 -1.147 1.00 0.00 O ATOM 1169 CB GLN A 65 9.540 -1.382 0.014 1.00 0.00 C ATOM 1170 CG GLN A 65 9.073 -2.248 1.171 1.00 0.00 C ATOM 1171 CD GLN A 65 10.072 -2.287 2.312 1.00 0.00 C ATOM 1172 OE1 GLN A 65 9.790 -1.817 3.414 1.00 0.00 O ATOM 1173 NE2 GLN A 65 11.246 -2.849 2.053 1.00 0.00 N ATOM 0 H GLN A 65 7.759 -2.242 -1.506 1.00 0.00 H new ATOM 0 HA GLN A 65 7.942 0.050 0.235 1.00 0.00 H new ATOM 0 HB2 GLN A 65 9.933 -2.024 -0.774 1.00 0.00 H new ATOM 0 HB3 GLN A 65 10.363 -0.752 0.352 1.00 0.00 H new ATOM 0 HG2 GLN A 65 8.120 -1.870 1.541 1.00 0.00 H new ATOM 0 HG3 GLN A 65 8.897 -3.262 0.813 1.00 0.00 H new ATOM 0 HE21 GLN A 65 11.437 -3.226 1.125 1.00 0.00 H new ATOM 0 HE22 GLN A 65 11.957 -2.904 2.782 1.00 0.00 H new ATOM 1182 N ARG A 66 9.323 0.107 -2.751 1.00 0.00 N ATOM 1183 CA ARG A 66 9.918 0.990 -3.749 1.00 0.00 C ATOM 1184 C ARG A 66 9.085 2.258 -3.940 1.00 0.00 C ATOM 1185 O ARG A 66 9.593 3.280 -4.400 1.00 0.00 O ATOM 1186 CB ARG A 66 10.077 0.258 -5.086 1.00 0.00 C ATOM 1187 CG ARG A 66 8.765 0.003 -5.813 1.00 0.00 C ATOM 1188 CD ARG A 66 8.851 0.407 -7.276 1.00 0.00 C ATOM 1189 NE ARG A 66 7.531 0.520 -7.891 1.00 0.00 N ATOM 1190 CZ ARG A 66 7.328 0.569 -9.206 1.00 0.00 C ATOM 1191 NH1 ARG A 66 8.355 0.517 -10.046 1.00 0.00 N ATOM 1192 NH2 ARG A 66 6.095 0.671 -9.683 1.00 0.00 N ATOM 0 H ARG A 66 9.143 -0.841 -3.080 1.00 0.00 H new ATOM 0 HA ARG A 66 10.903 1.284 -3.385 1.00 0.00 H new ATOM 0 HB2 ARG A 66 10.731 0.843 -5.733 1.00 0.00 H new ATOM 0 HB3 ARG A 66 10.574 -0.696 -4.909 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.507 -1.054 -5.741 1.00 0.00 H new ATOM 0 HG3 ARG A 66 7.964 0.560 -5.327 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.372 1.361 -7.359 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.443 -0.328 -7.821 1.00 0.00 H new ATOM 0 HE ARG A 66 6.717 0.564 -7.277 1.00 0.00 H new ATOM 0 HH11 ARG A 66 9.306 0.439 -9.685 1.00 0.00 H new ATOM 0 HH12 ARG A 66 8.193 0.555 -11.052 1.00 0.00 H new ATOM 0 HH21 ARG A 66 5.302 0.712 -9.043 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.939 0.709 -10.690 1.00 0.00 H new ATOM 1206 N GLU A 67 7.804 2.186 -3.588 1.00 0.00 N ATOM 1207 CA GLU A 67 6.913 3.330 -3.727 1.00 0.00 C ATOM 1208 C GLU A 67 6.720 4.042 -2.393 1.00 0.00 C ATOM 1209 O GLU A 67 6.832 5.262 -2.309 1.00 0.00 O ATOM 1210 CB GLU A 67 5.557 2.886 -4.287 1.00 0.00 C ATOM 1211 CG GLU A 67 4.872 1.811 -3.457 1.00 0.00 C ATOM 1212 CD GLU A 67 3.696 1.178 -4.177 1.00 0.00 C ATOM 1213 OE1 GLU A 67 3.357 1.642 -5.286 1.00 0.00 O ATOM 1214 OE2 GLU A 67 3.114 0.217 -3.632 1.00 0.00 O ATOM 0 H GLU A 67 7.363 1.350 -3.206 1.00 0.00 H new ATOM 0 HA GLU A 67 7.373 4.030 -4.424 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.900 3.754 -4.354 1.00 0.00 H new ATOM 0 HB3 GLU A 67 5.698 2.514 -5.302 1.00 0.00 H new ATOM 0 HG2 GLU A 67 5.596 1.037 -3.202 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.527 2.246 -2.519 1.00 0.00 H new ATOM 1221 N LYS A 68 6.428 3.275 -1.350 1.00 0.00 N ATOM 1222 CA LYS A 68 6.216 3.841 -0.020 1.00 0.00 C ATOM 1223 C LYS A 68 7.410 4.677 0.437 1.00 0.00 C ATOM 1224 O LYS A 68 7.286 5.507 1.337 1.00 0.00 O ATOM 1225 CB LYS A 68 5.943 2.727 0.993 1.00 0.00 C ATOM 1226 CG LYS A 68 4.779 3.025 1.927 1.00 0.00 C ATOM 1227 CD LYS A 68 5.234 3.136 3.376 1.00 0.00 C ATOM 1228 CE LYS A 68 4.683 4.387 4.039 1.00 0.00 C ATOM 1229 NZ LYS A 68 5.675 5.498 4.043 1.00 0.00 N ATOM 0 H LYS A 68 6.332 2.261 -1.397 1.00 0.00 H new ATOM 0 HA LYS A 68 5.349 4.499 -0.079 1.00 0.00 H new ATOM 0 HB2 LYS A 68 5.739 1.801 0.456 1.00 0.00 H new ATOM 0 HB3 LYS A 68 6.841 2.560 1.587 1.00 0.00 H new ATOM 0 HG2 LYS A 68 4.298 3.955 1.624 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.031 2.237 1.840 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.907 2.256 3.929 1.00 0.00 H new ATOM 0 HD3 LYS A 68 6.323 3.151 3.416 1.00 0.00 H new ATOM 0 HE2 LYS A 68 3.782 4.707 3.517 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.392 4.156 5.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 5.178 6.407 4.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.324 5.381 4.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.217 5.483 3.155 1.00 0.00 H new ATOM 1243 N GLN A 69 8.565 4.448 -0.175 1.00 0.00 N ATOM 1244 CA GLN A 69 9.770 5.177 0.192 1.00 0.00 C ATOM 1245 C GLN A 69 10.073 6.313 -0.786 1.00 0.00 C ATOM 1246 O GLN A 69 10.689 7.311 -0.415 1.00 0.00 O ATOM 1247 CB GLN A 69 10.953 4.215 0.253 1.00 0.00 C ATOM 1248 CG GLN A 69 12.103 4.714 1.112 1.00 0.00 C ATOM 1249 CD GLN A 69 13.301 3.785 1.079 1.00 0.00 C ATOM 1250 OE1 GLN A 69 13.531 3.085 0.093 1.00 0.00 O ATOM 1251 NE2 GLN A 69 14.071 3.774 2.161 1.00 0.00 N ATOM 0 H GLN A 69 8.692 3.767 -0.924 1.00 0.00 H new ATOM 0 HA GLN A 69 9.603 5.624 1.172 1.00 0.00 H new ATOM 0 HB2 GLN A 69 10.610 3.256 0.642 1.00 0.00 H new ATOM 0 HB3 GLN A 69 11.318 4.037 -0.759 1.00 0.00 H new ATOM 0 HG2 GLN A 69 12.405 5.703 0.769 1.00 0.00 H new ATOM 0 HG3 GLN A 69 11.762 4.824 2.141 1.00 0.00 H new ATOM 0 HE21 GLN A 69 13.842 4.371 2.956 1.00 0.00 H new ATOM 0 HE22 GLN A 69 14.891 3.168 2.197 1.00 0.00 H new ATOM 1260 N GLU A 70 9.655 6.151 -2.038 1.00 0.00 N ATOM 1261 CA GLU A 70 9.907 7.163 -3.061 1.00 0.00 C ATOM 1262 C GLU A 70 8.685 8.047 -3.319 1.00 0.00 C ATOM 1263 O GLU A 70 8.795 9.085 -3.972 1.00 0.00 O ATOM 1264 CB GLU A 70 10.346 6.491 -4.365 1.00 0.00 C ATOM 1265 CG GLU A 70 11.788 6.786 -4.745 1.00 0.00 C ATOM 1266 CD GLU A 70 12.070 8.271 -4.853 1.00 0.00 C ATOM 1267 OE1 GLU A 70 11.561 8.904 -5.803 1.00 0.00 O ATOM 1268 OE2 GLU A 70 12.801 8.802 -3.991 1.00 0.00 O ATOM 0 H GLU A 70 9.143 5.333 -2.368 1.00 0.00 H new ATOM 0 HA GLU A 70 10.703 7.807 -2.689 1.00 0.00 H new ATOM 0 HB2 GLU A 70 10.217 5.413 -4.270 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.692 6.820 -5.172 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.453 6.347 -4.001 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.014 6.307 -5.697 1.00 0.00 H new ATOM 1275 N PHE A 71 7.523 7.637 -2.820 1.00 0.00 N ATOM 1276 CA PHE A 71 6.301 8.407 -3.024 1.00 0.00 C ATOM 1277 C PHE A 71 6.220 9.593 -2.065 1.00 0.00 C ATOM 1278 O PHE A 71 5.700 10.650 -2.417 1.00 0.00 O ATOM 1279 CB PHE A 71 5.066 7.505 -2.872 1.00 0.00 C ATOM 1280 CG PHE A 71 4.512 7.434 -1.472 1.00 0.00 C ATOM 1281 CD1 PHE A 71 5.285 6.958 -0.424 1.00 0.00 C ATOM 1282 CD2 PHE A 71 3.218 7.844 -1.210 1.00 0.00 C ATOM 1283 CE1 PHE A 71 4.771 6.894 0.859 1.00 0.00 C ATOM 1284 CE2 PHE A 71 2.699 7.782 0.068 1.00 0.00 C ATOM 1285 CZ PHE A 71 3.477 7.308 1.104 1.00 0.00 C ATOM 0 H PHE A 71 7.402 6.783 -2.276 1.00 0.00 H new ATOM 0 HA PHE A 71 6.323 8.803 -4.039 1.00 0.00 H new ATOM 0 HB2 PHE A 71 4.284 7.865 -3.541 1.00 0.00 H new ATOM 0 HB3 PHE A 71 5.325 6.498 -3.198 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.298 6.634 -0.611 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.604 8.218 -2.016 1.00 0.00 H new ATOM 0 HE1 PHE A 71 5.381 6.521 1.668 1.00 0.00 H new ATOM 0 HE2 PHE A 71 1.685 8.104 0.256 1.00 0.00 H new ATOM 0 HZ PHE A 71 3.074 7.261 2.105 1.00 0.00 H new ATOM 1295 N GLU A 72 6.734 9.407 -0.855 1.00 0.00 N ATOM 1296 CA GLU A 72 6.713 10.460 0.156 1.00 0.00 C ATOM 1297 C GLU A 72 7.401 11.729 -0.343 1.00 0.00 C ATOM 1298 O GLU A 72 7.161 12.819 0.177 1.00 0.00 O ATOM 1299 CB GLU A 72 7.387 9.967 1.439 1.00 0.00 C ATOM 1300 CG GLU A 72 6.406 9.583 2.533 1.00 0.00 C ATOM 1301 CD GLU A 72 6.455 10.525 3.720 1.00 0.00 C ATOM 1302 OE1 GLU A 72 7.567 10.954 4.092 1.00 0.00 O ATOM 1303 OE2 GLU A 72 5.381 10.833 4.279 1.00 0.00 O ATOM 0 H GLU A 72 7.171 8.537 -0.549 1.00 0.00 H new ATOM 0 HA GLU A 72 5.671 10.704 0.364 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.011 9.105 1.203 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.049 10.747 1.814 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.396 9.574 2.123 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.622 8.569 2.870 1.00 0.00 H new ATOM 1310 N ARG A 73 8.259 11.585 -1.349 1.00 0.00 N ATOM 1311 CA ARG A 73 8.980 12.725 -1.906 1.00 0.00 C ATOM 1312 C ARG A 73 8.054 13.619 -2.727 1.00 0.00 C ATOM 1313 O ARG A 73 8.056 14.841 -2.567 1.00 0.00 O ATOM 1314 CB ARG A 73 10.143 12.243 -2.773 1.00 0.00 C ATOM 1315 CG ARG A 73 11.461 12.143 -2.020 1.00 0.00 C ATOM 1316 CD ARG A 73 12.449 11.238 -2.740 1.00 0.00 C ATOM 1317 NE ARG A 73 13.698 11.929 -3.050 1.00 0.00 N ATOM 1318 CZ ARG A 73 14.584 12.305 -2.130 1.00 0.00 C ATOM 1319 NH1 ARG A 73 14.360 12.062 -0.844 1.00 0.00 N ATOM 1320 NH2 ARG A 73 15.697 12.927 -2.495 1.00 0.00 N ATOM 0 H ARG A 73 8.472 10.692 -1.794 1.00 0.00 H new ATOM 0 HA ARG A 73 9.370 13.312 -1.075 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.896 11.266 -3.188 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.265 12.925 -3.615 1.00 0.00 H new ATOM 0 HG2 ARG A 73 11.893 13.137 -1.907 1.00 0.00 H new ATOM 0 HG3 ARG A 73 11.279 11.759 -1.016 1.00 0.00 H new ATOM 0 HD2 ARG A 73 12.661 10.367 -2.120 1.00 0.00 H new ATOM 0 HD3 ARG A 73 11.999 10.871 -3.662 1.00 0.00 H new ATOM 0 HE ARG A 73 13.903 12.135 -4.028 1.00 0.00 H new ATOM 0 HH11 ARG A 73 13.506 11.585 -0.556 1.00 0.00 H new ATOM 0 HH12 ARG A 73 15.042 12.352 -0.144 1.00 0.00 H new ATOM 0 HH21 ARG A 73 15.875 13.118 -3.481 1.00 0.00 H new ATOM 0 HH22 ARG A 73 16.375 13.215 -1.790 1.00 0.00 H new ATOM 1334 N ASN A 74 7.270 13.009 -3.611 1.00 0.00 N ATOM 1335 CA ASN A 74 6.349 13.759 -4.459 1.00 0.00 C ATOM 1336 C ASN A 74 5.019 14.005 -3.752 1.00 0.00 C ATOM 1337 O ASN A 74 4.522 15.131 -3.727 1.00 0.00 O ATOM 1338 CB ASN A 74 6.112 13.015 -5.775 1.00 0.00 C ATOM 1339 CG ASN A 74 5.744 11.560 -5.559 1.00 0.00 C ATOM 1340 OD1 ASN A 74 6.405 10.849 -4.801 1.00 0.00 O ATOM 1341 ND2 ASN A 74 4.690 11.109 -6.228 1.00 0.00 N ATOM 0 H ASN A 74 7.254 12.000 -3.759 1.00 0.00 H new ATOM 0 HA ASN A 74 6.805 14.726 -4.671 1.00 0.00 H new ATOM 0 HB2 ASN A 74 5.315 13.510 -6.330 1.00 0.00 H new ATOM 0 HB3 ASN A 74 7.011 13.072 -6.388 1.00 0.00 H new ATOM 0 HD21 ASN A 74 4.398 10.137 -6.125 1.00 0.00 H new ATOM 0 HD22 ASN A 74 4.172 11.734 -6.845 1.00 0.00 H new ATOM 1348 N LEU A 75 4.448 12.948 -3.182 1.00 0.00 N ATOM 1349 CA LEU A 75 3.170 13.054 -2.478 1.00 0.00 C ATOM 1350 C LEU A 75 3.197 14.181 -1.444 1.00 0.00 C ATOM 1351 O LEU A 75 2.153 14.724 -1.082 1.00 0.00 O ATOM 1352 CB LEU A 75 2.828 11.727 -1.795 1.00 0.00 C ATOM 1353 CG LEU A 75 1.875 10.823 -2.575 1.00 0.00 C ATOM 1354 CD1 LEU A 75 0.498 11.460 -2.670 1.00 0.00 C ATOM 1355 CD2 LEU A 75 2.433 10.530 -3.960 1.00 0.00 C ATOM 0 H LEU A 75 4.847 12.009 -3.193 1.00 0.00 H new ATOM 0 HA LEU A 75 2.402 13.287 -3.215 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.754 11.181 -1.612 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.386 11.941 -0.822 1.00 0.00 H new ATOM 0 HG LEU A 75 1.777 9.878 -2.041 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.169 10.803 -3.229 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.099 11.615 -1.668 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.575 12.419 -3.182 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.741 9.885 -4.502 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.561 11.465 -4.506 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.397 10.030 -3.866 1.00 0.00 H new ATOM 1367 N ALA A 76 4.391 14.524 -0.974 1.00 0.00 N ATOM 1368 CA ALA A 76 4.546 15.583 0.019 1.00 0.00 C ATOM 1369 C ALA A 76 3.917 16.889 -0.457 1.00 0.00 C ATOM 1370 O ALA A 76 3.086 17.478 0.235 1.00 0.00 O ATOM 1371 CB ALA A 76 6.018 15.793 0.339 1.00 0.00 C ATOM 0 H ALA A 76 5.265 14.085 -1.263 1.00 0.00 H new ATOM 0 HA ALA A 76 4.025 15.272 0.925 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.120 16.585 1.081 1.00 0.00 H new ATOM 0 HB2 ALA A 76 6.440 14.869 0.735 1.00 0.00 H new ATOM 0 HB3 ALA A 76 6.551 16.075 -0.569 1.00 0.00 H new ATOM 1377 N ARG A 77 4.320 17.343 -1.641 1.00 0.00 N ATOM 1378 CA ARG A 77 3.796 18.584 -2.203 1.00 0.00 C ATOM 1379 C ARG A 77 2.709 18.317 -3.245 1.00 0.00 C ATOM 1380 O ARG A 77 2.158 19.253 -3.826 1.00 0.00 O ATOM 1381 CB ARG A 77 4.929 19.397 -2.833 1.00 0.00 C ATOM 1382 CG ARG A 77 6.114 19.610 -1.906 1.00 0.00 C ATOM 1383 CD ARG A 77 7.256 20.317 -2.618 1.00 0.00 C ATOM 1384 NE ARG A 77 8.232 19.374 -3.159 1.00 0.00 N ATOM 1385 CZ ARG A 77 9.110 19.681 -4.112 1.00 0.00 C ATOM 1386 NH1 ARG A 77 9.140 20.902 -4.629 1.00 0.00 N ATOM 1387 NH2 ARG A 77 9.962 18.762 -4.547 1.00 0.00 N ATOM 0 H ARG A 77 5.007 16.871 -2.229 1.00 0.00 H new ATOM 0 HA ARG A 77 3.348 19.152 -1.388 1.00 0.00 H new ATOM 0 HB2 ARG A 77 5.271 18.890 -3.735 1.00 0.00 H new ATOM 0 HB3 ARG A 77 4.540 20.368 -3.141 1.00 0.00 H new ATOM 0 HG2 ARG A 77 5.802 20.198 -1.043 1.00 0.00 H new ATOM 0 HG3 ARG A 77 6.459 18.648 -1.528 1.00 0.00 H new ATOM 0 HD2 ARG A 77 6.856 20.928 -3.427 1.00 0.00 H new ATOM 0 HD3 ARG A 77 7.753 20.994 -1.923 1.00 0.00 H new ATOM 0 HE ARG A 77 8.241 18.425 -2.785 1.00 0.00 H new ATOM 0 HH11 ARG A 77 8.488 21.613 -4.297 1.00 0.00 H new ATOM 0 HH12 ARG A 77 9.815 21.130 -5.359 1.00 0.00 H new ATOM 0 HH21 ARG A 77 9.944 17.822 -4.152 1.00 0.00 H new ATOM 0 HH22 ARG A 77 10.635 18.995 -5.277 1.00 0.00 H new ATOM 1401 N PHE A 78 2.405 17.044 -3.483 1.00 0.00 N ATOM 1402 CA PHE A 78 1.385 16.676 -4.459 1.00 0.00 C ATOM 1403 C PHE A 78 -0.018 16.942 -3.917 1.00 0.00 C ATOM 1404 O PHE A 78 -0.773 17.731 -4.485 1.00 0.00 O ATOM 1405 CB PHE A 78 1.527 15.202 -4.847 1.00 0.00 C ATOM 1406 CG PHE A 78 1.580 14.973 -6.331 1.00 0.00 C ATOM 1407 CD1 PHE A 78 0.656 15.573 -7.171 1.00 0.00 C ATOM 1408 CD2 PHE A 78 2.553 14.155 -6.883 1.00 0.00 C ATOM 1409 CE1 PHE A 78 0.702 15.364 -8.537 1.00 0.00 C ATOM 1410 CE2 PHE A 78 2.604 13.942 -8.248 1.00 0.00 C ATOM 1411 CZ PHE A 78 1.678 14.547 -9.076 1.00 0.00 C ATOM 0 H PHE A 78 2.849 16.253 -3.015 1.00 0.00 H new ATOM 0 HA PHE A 78 1.531 17.293 -5.345 1.00 0.00 H new ATOM 0 HB2 PHE A 78 2.433 14.801 -4.393 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.689 14.643 -4.431 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.109 16.211 -6.754 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.279 13.679 -6.240 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -0.023 15.838 -9.182 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.367 13.303 -8.667 1.00 0.00 H new ATOM 0 HZ PHE A 78 1.717 14.382 -10.143 1.00 0.00 H new ATOM 1421 N ARG A 79 -0.359 16.278 -2.818 1.00 0.00 N ATOM 1422 CA ARG A 79 -1.671 16.444 -2.202 1.00 0.00 C ATOM 1423 C ARG A 79 -1.762 17.757 -1.424 1.00 0.00 C ATOM 1424 O ARG A 79 -2.845 18.158 -0.999 1.00 0.00 O ATOM 1425 CB ARG A 79 -1.973 15.266 -1.274 1.00 0.00 C ATOM 1426 CG ARG A 79 -1.670 13.909 -1.890 1.00 0.00 C ATOM 1427 CD ARG A 79 -2.768 13.468 -2.844 1.00 0.00 C ATOM 1428 NE ARG A 79 -4.102 13.661 -2.275 1.00 0.00 N ATOM 1429 CZ ARG A 79 -4.945 14.623 -2.649 1.00 0.00 C ATOM 1430 NH1 ARG A 79 -4.605 15.491 -3.594 1.00 0.00 N ATOM 1431 NH2 ARG A 79 -6.136 14.716 -2.073 1.00 0.00 N ATOM 0 H ARG A 79 0.254 15.621 -2.336 1.00 0.00 H new ATOM 0 HA ARG A 79 -2.412 16.473 -3.001 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -1.392 15.378 -0.359 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -3.025 15.299 -0.990 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -0.721 13.955 -2.424 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -1.555 13.168 -1.099 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -2.686 14.030 -3.774 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -2.630 12.416 -3.094 1.00 0.00 H new ATOM 0 HE ARG A 79 -4.407 13.017 -1.545 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -3.691 15.426 -4.042 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -5.258 16.223 -3.873 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -6.404 14.052 -1.346 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -6.784 15.451 -2.357 1.00 0.00 H new ATOM 1445 N GLU A 80 -0.623 18.421 -1.239 1.00 0.00 N ATOM 1446 CA GLU A 80 -0.588 19.684 -0.511 1.00 0.00 C ATOM 1447 C GLU A 80 -1.510 20.715 -1.159 1.00 0.00 C ATOM 1448 O GLU A 80 -2.536 21.089 -0.591 1.00 0.00 O ATOM 1449 CB GLU A 80 0.841 20.225 -0.453 1.00 0.00 C ATOM 1450 CG GLU A 80 1.031 21.336 0.567 1.00 0.00 C ATOM 1451 CD GLU A 80 1.947 22.437 0.066 1.00 0.00 C ATOM 1452 OE1 GLU A 80 3.092 22.125 -0.322 1.00 0.00 O ATOM 1453 OE2 GLU A 80 1.517 23.609 0.061 1.00 0.00 O ATOM 0 H GLU A 80 0.284 18.106 -1.582 1.00 0.00 H new ATOM 0 HA GLU A 80 -0.940 19.498 0.504 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.521 19.406 -0.217 1.00 0.00 H new ATOM 0 HB3 GLU A 80 1.120 20.597 -1.439 1.00 0.00 H new ATOM 0 HG2 GLU A 80 0.060 21.763 0.819 1.00 0.00 H new ATOM 0 HG3 GLU A 80 1.442 20.915 1.485 1.00 0.00 H new ATOM 1460 N ASP A 81 -1.137 21.170 -2.353 1.00 0.00 N ATOM 1461 CA ASP A 81 -1.931 22.156 -3.080 1.00 0.00 C ATOM 1462 C ASP A 81 -2.181 23.397 -2.228 1.00 0.00 C ATOM 1463 O ASP A 81 -3.201 23.500 -1.547 1.00 0.00 O ATOM 1464 CB ASP A 81 -3.265 21.546 -3.515 1.00 0.00 C ATOM 1465 CG ASP A 81 -3.114 20.609 -4.698 1.00 0.00 C ATOM 1466 OD1 ASP A 81 -2.187 19.772 -4.677 1.00 0.00 O ATOM 1467 OD2 ASP A 81 -3.922 20.713 -5.645 1.00 0.00 O ATOM 0 H ASP A 81 -0.290 20.871 -2.837 1.00 0.00 H new ATOM 0 HA ASP A 81 -1.368 22.455 -3.964 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.703 21.002 -2.678 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -3.959 22.345 -3.774 1.00 0.00 H new ATOM 1472 N HIS A 82 -1.243 24.337 -2.271 1.00 0.00 N ATOM 1473 CA HIS A 82 -1.361 25.571 -1.503 1.00 0.00 C ATOM 1474 C HIS A 82 -1.482 25.277 -0.009 1.00 0.00 C ATOM 1475 O HIS A 82 -1.768 24.148 0.387 1.00 0.00 O ATOM 1476 CB HIS A 82 -2.574 26.376 -1.977 1.00 0.00 C ATOM 1477 CG HIS A 82 -2.258 27.344 -3.074 1.00 0.00 C ATOM 1478 ND1 HIS A 82 -1.066 28.034 -3.148 1.00 0.00 N ATOM 1479 CD2 HIS A 82 -2.986 27.736 -4.147 1.00 0.00 C ATOM 1480 CE1 HIS A 82 -1.075 28.810 -4.220 1.00 0.00 C ATOM 1481 NE2 HIS A 82 -2.228 28.646 -4.842 1.00 0.00 N ATOM 0 H HIS A 82 -0.392 24.268 -2.830 1.00 0.00 H new ATOM 0 HA HIS A 82 -0.457 26.158 -1.665 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -3.345 25.687 -2.322 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -2.991 26.922 -1.131 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -3.978 27.396 -4.407 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -0.276 29.466 -4.533 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -2.510 29.119 -5.700 1.00 0.00 H new ATOM 1490 N PRO A 83 -1.266 26.295 0.841 1.00 0.00 N ATOM 1491 CA PRO A 83 -1.352 26.140 2.298 1.00 0.00 C ATOM 1492 C PRO A 83 -2.681 25.537 2.738 1.00 0.00 C ATOM 1493 O PRO A 83 -3.716 26.204 2.712 1.00 0.00 O ATOM 1494 CB PRO A 83 -1.217 27.572 2.820 1.00 0.00 C ATOM 1495 CG PRO A 83 -0.485 28.302 1.747 1.00 0.00 C ATOM 1496 CD PRO A 83 -0.919 27.676 0.452 1.00 0.00 C ATOM 0 HA PRO A 83 -0.590 25.461 2.680 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -2.194 28.019 3.007 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -0.669 27.600 3.762 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -0.723 29.365 1.766 1.00 0.00 H new ATOM 0 HG3 PRO A 83 0.593 28.215 1.881 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -1.772 28.198 0.019 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -0.122 27.696 -0.291 1.00 0.00 H new ATOM 1504 N ASP A 84 -2.646 24.271 3.143 1.00 0.00 N ATOM 1505 CA ASP A 84 -3.846 23.577 3.592 1.00 0.00 C ATOM 1506 C ASP A 84 -3.583 22.832 4.897 1.00 0.00 C ATOM 1507 O ASP A 84 -2.505 22.276 5.099 1.00 0.00 O ATOM 1508 CB ASP A 84 -4.324 22.596 2.518 1.00 0.00 C ATOM 1509 CG ASP A 84 -4.966 23.300 1.338 1.00 0.00 C ATOM 1510 OD1 ASP A 84 -4.270 24.093 0.670 1.00 0.00 O ATOM 1511 OD2 ASP A 84 -6.163 23.056 1.082 1.00 0.00 O ATOM 0 H ASP A 84 -1.798 23.705 3.169 1.00 0.00 H new ATOM 0 HA ASP A 84 -4.624 24.320 3.767 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -3.478 22.004 2.168 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -5.040 21.901 2.957 1.00 0.00 H new ATOM 1516 N LEU A 85 -4.576 22.827 5.780 1.00 0.00 N ATOM 1517 CA LEU A 85 -4.451 22.152 7.066 1.00 0.00 C ATOM 1518 C LEU A 85 -3.290 22.730 7.870 1.00 0.00 C ATOM 1519 O LEU A 85 -2.724 23.761 7.504 1.00 0.00 O ATOM 1520 CB LEU A 85 -4.249 20.646 6.857 1.00 0.00 C ATOM 1521 CG LEU A 85 -5.418 19.770 7.306 1.00 0.00 C ATOM 1522 CD1 LEU A 85 -5.629 19.891 8.808 1.00 0.00 C ATOM 1523 CD2 LEU A 85 -6.686 20.147 6.555 1.00 0.00 C ATOM 0 H LEU A 85 -5.476 23.283 5.628 1.00 0.00 H new ATOM 0 HA LEU A 85 -5.372 22.312 7.627 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -4.063 20.463 5.799 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.354 20.336 7.397 1.00 0.00 H new ATOM 0 HG LEU A 85 -5.179 18.732 7.076 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -6.465 19.261 9.110 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.727 19.571 9.329 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.846 20.928 9.062 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -7.508 19.513 6.888 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.930 21.191 6.753 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.530 20.008 5.485 1.00 0.00 H new ATOM 1535 N ILE A 86 -2.941 22.063 8.965 1.00 0.00 N ATOM 1536 CA ILE A 86 -1.848 22.518 9.816 1.00 0.00 C ATOM 1537 C ILE A 86 -0.521 21.893 9.389 1.00 0.00 C ATOM 1538 O ILE A 86 0.480 22.594 9.234 1.00 0.00 O ATOM 1539 CB ILE A 86 -2.113 22.196 11.303 1.00 0.00 C ATOM 1540 CG1 ILE A 86 -1.028 22.816 12.185 1.00 0.00 C ATOM 1541 CG2 ILE A 86 -2.188 20.692 11.526 1.00 0.00 C ATOM 1542 CD1 ILE A 86 -1.253 24.283 12.478 1.00 0.00 C ATOM 0 H ILE A 86 -3.398 21.208 9.283 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.787 23.600 9.700 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.074 22.628 11.580 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.980 22.269 13.127 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.061 22.695 11.697 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.375 20.489 12.581 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -2.998 20.275 10.927 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.245 20.233 11.230 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.446 24.656 13.108 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.271 24.842 11.543 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.204 24.409 12.995 1.00 0.00 H new ATOM 1554 N GLN A 87 -0.521 20.574 9.199 1.00 0.00 N ATOM 1555 CA GLN A 87 0.684 19.854 8.786 1.00 0.00 C ATOM 1556 C GLN A 87 0.493 18.347 8.932 1.00 0.00 C ATOM 1557 O GLN A 87 -0.485 17.888 9.520 1.00 0.00 O ATOM 1558 CB GLN A 87 1.895 20.306 9.611 1.00 0.00 C ATOM 1559 CG GLN A 87 2.950 21.031 8.791 1.00 0.00 C ATOM 1560 CD GLN A 87 3.994 21.712 9.654 1.00 0.00 C ATOM 1561 OE1 GLN A 87 3.797 21.896 10.855 1.00 0.00 O ATOM 1562 NE2 GLN A 87 5.112 22.090 9.044 1.00 0.00 N ATOM 0 H GLN A 87 -1.342 19.982 9.324 1.00 0.00 H new ATOM 0 HA GLN A 87 0.866 20.084 7.736 1.00 0.00 H new ATOM 0 HB2 GLN A 87 1.555 20.962 10.412 1.00 0.00 H new ATOM 0 HB3 GLN A 87 2.349 19.435 10.083 1.00 0.00 H new ATOM 0 HG2 GLN A 87 3.441 20.319 8.127 1.00 0.00 H new ATOM 0 HG3 GLN A 87 2.465 21.775 8.159 1.00 0.00 H new ATOM 0 HE21 GLN A 87 5.232 21.917 8.046 1.00 0.00 H new ATOM 0 HE22 GLN A 87 5.850 22.553 9.574 1.00 0.00 H new ATOM 1571 N ASN A 88 1.438 17.584 8.391 1.00 0.00 N ATOM 1572 CA ASN A 88 1.381 16.127 8.461 1.00 0.00 C ATOM 1573 C ASN A 88 2.549 15.579 9.275 1.00 0.00 C ATOM 1574 O ASN A 88 2.401 14.601 10.008 1.00 0.00 O ATOM 1575 CB ASN A 88 1.399 15.529 7.054 1.00 0.00 C ATOM 1576 CG ASN A 88 0.414 14.387 6.900 1.00 0.00 C ATOM 1577 OD1 ASN A 88 0.282 13.540 7.784 1.00 0.00 O ATOM 1578 ND2 ASN A 88 -0.285 14.358 5.770 1.00 0.00 N ATOM 0 H ASN A 88 2.253 17.950 7.899 1.00 0.00 H new ATOM 0 HA ASN A 88 0.452 15.845 8.956 1.00 0.00 H new ATOM 0 HB2 ASN A 88 1.165 16.308 6.328 1.00 0.00 H new ATOM 0 HB3 ASN A 88 2.404 15.172 6.826 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -0.963 13.613 5.609 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -0.144 15.081 5.064 1.00 0.00 H new ATOM 1585 N ALA A 89 3.708 16.216 9.143 1.00 0.00 N ATOM 1586 CA ALA A 89 4.901 15.793 9.867 1.00 0.00 C ATOM 1587 C ALA A 89 5.899 16.940 9.992 1.00 0.00 C ATOM 1588 O ALA A 89 6.254 17.577 9.000 1.00 0.00 O ATOM 1589 CB ALA A 89 5.545 14.603 9.172 1.00 0.00 C ATOM 0 H ALA A 89 3.846 17.028 8.541 1.00 0.00 H new ATOM 0 HA ALA A 89 4.602 15.494 10.872 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.435 14.298 9.723 1.00 0.00 H new ATOM 0 HB2 ALA A 89 4.837 13.775 9.138 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.825 14.883 8.157 1.00 0.00 H new ATOM 1595 N LYS A 90 6.348 17.198 11.215 1.00 0.00 N ATOM 1596 CA LYS A 90 7.305 18.268 11.469 1.00 0.00 C ATOM 1597 C LYS A 90 8.736 17.739 11.433 1.00 0.00 C ATOM 1598 O LYS A 90 9.533 18.009 12.333 1.00 0.00 O ATOM 1599 CB LYS A 90 7.022 18.923 12.823 1.00 0.00 C ATOM 1600 CG LYS A 90 7.465 20.376 12.900 1.00 0.00 C ATOM 1601 CD LYS A 90 8.665 20.547 13.820 1.00 0.00 C ATOM 1602 CE LYS A 90 8.243 20.985 15.213 1.00 0.00 C ATOM 1603 NZ LYS A 90 9.135 22.049 15.755 1.00 0.00 N ATOM 0 H LYS A 90 6.064 16.680 12.047 1.00 0.00 H new ATOM 0 HA LYS A 90 7.195 19.015 10.683 1.00 0.00 H new ATOM 0 HB2 LYS A 90 5.953 18.866 13.028 1.00 0.00 H new ATOM 0 HB3 LYS A 90 7.527 18.356 13.605 1.00 0.00 H new ATOM 0 HG2 LYS A 90 7.717 20.734 11.902 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.639 20.990 13.260 1.00 0.00 H new ATOM 0 HD2 LYS A 90 9.212 19.607 13.884 1.00 0.00 H new ATOM 0 HD3 LYS A 90 9.347 21.285 13.397 1.00 0.00 H new ATOM 0 HE2 LYS A 90 7.217 21.352 15.183 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.255 20.125 15.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 8.814 22.320 16.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 10.110 21.691 15.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 9.105 22.879 15.130 1.00 0.00 H new ATOM 1617 N LYS A 91 9.055 16.982 10.389 1.00 0.00 N ATOM 1618 CA LYS A 91 10.390 16.414 10.236 1.00 0.00 C ATOM 1619 C LYS A 91 10.925 16.658 8.827 1.00 0.00 C ATOM 1620 O LYS A 91 10.258 17.382 8.059 1.00 0.00 O ATOM 1621 CB LYS A 91 10.364 14.913 10.536 1.00 0.00 C ATOM 1622 CG LYS A 91 11.309 14.501 11.654 1.00 0.00 C ATOM 1623 CD LYS A 91 12.750 14.860 11.326 1.00 0.00 C ATOM 1624 CE LYS A 91 13.722 13.832 11.884 1.00 0.00 C ATOM 1625 NZ LYS A 91 14.625 14.422 12.911 1.00 0.00 N ATOM 0 H LYS A 91 8.408 16.747 9.636 1.00 0.00 H new ATOM 0 HA LYS A 91 11.054 16.906 10.946 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.348 14.622 10.804 1.00 0.00 H new ATOM 0 HB3 LYS A 91 10.625 14.365 9.630 1.00 0.00 H new ATOM 0 HG2 LYS A 91 11.013 14.991 12.581 1.00 0.00 H new ATOM 0 HG3 LYS A 91 11.230 13.427 11.822 1.00 0.00 H new ATOM 0 HD2 LYS A 91 12.872 14.928 10.245 1.00 0.00 H new ATOM 0 HD3 LYS A 91 12.983 15.843 11.736 1.00 0.00 H new ATOM 0 HE2 LYS A 91 13.164 13.005 12.323 1.00 0.00 H new ATOM 0 HE3 LYS A 91 14.318 13.418 11.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 15.272 13.689 13.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 15.177 15.194 12.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 14.058 14.795 13.699 1.00 0.00 H new TER 1639 LYS A 91