USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=17 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 62 GLN : amide:sc= -2.88 K(o=-5.4,f=-0.65) USER MOD Set 1.2: A 65 GLN : amide:sc= -2.49 K(o=-5.4,f=-0.65) USER MOD Set 2.1: A 33 HIS : no HE2:sc= -10.4! C(o=-12!,f=-14!) USER MOD Set 2.2: A 36 MET CE :methyl -145:sc= -1.8 (180deg=0) USER MOD Set 3.1: A 25 LYS NZ :NH3+ 145:sc= -0.295 (180deg=-1.14!) USER MOD Set 3.2: A 29 TYR OH : rot 30:sc=-0.00971 USER MOD Set 3.3: A 48 LYS NZ :NH3+ -171:sc= -0.0269 (180deg=0) USER MOD Set 4.1: A 12 LYS NZ :NH3+ -159:sc= -0.649 (180deg=-0.694) USER MOD Set 4.2: A 88 ASN : amide:sc= -4.08 K(o=-4.7,f=-6.5!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HE2:sc= -3.59! C(o=-3.6!,f=-2.7!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot -30:sc= -0.584 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 148:sc= -0.628 (180deg=-1.73!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -4.37! C(o=-4.4!,f=-12!) USER MOD Single : A 42 THR OG1 : rot 83:sc= 1.07 USER MOD Single : A 43 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0926) USER MOD Single : A 46 SER OG : rot 10:sc= 0.656 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= -0.523 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -155:sc= 0.0425 (180deg=-0.403) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot -98:sc= 1.01 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 ASN : amide:sc= -0.159 K(o=-0.16,f=-1.8!) USER MOD Single : A 82 HIS : no HD1:sc= -0.0833 X(o=-0.083,f=0) USER MOD Single : A 87 GLN : amide:sc= 0.728 K(o=0.73,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 -12.209 2.169 17.633 1.00 0.00 N ATOM 2 CA MET A 1 -13.106 1.732 16.533 1.00 0.00 C ATOM 3 C MET A 1 -13.656 2.929 15.762 1.00 0.00 C ATOM 4 O MET A 1 -14.868 3.096 15.633 1.00 0.00 O ATOM 5 CB MET A 1 -14.252 0.916 17.133 1.00 0.00 C ATOM 6 CG MET A 1 -15.120 0.229 16.092 1.00 0.00 C ATOM 7 SD MET A 1 -14.497 -1.400 15.634 1.00 0.00 S ATOM 8 CE MET A 1 -16.002 -2.369 15.710 1.00 0.00 C ATOM 0 H1 MET A 1 -11.850 1.335 18.140 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.410 2.704 17.237 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.738 2.774 18.293 1.00 0.00 H new ATOM 0 HA MET A 1 -12.540 1.122 15.830 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.838 0.163 17.803 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.877 1.573 17.738 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.134 0.130 16.478 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.177 0.855 15.202 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.781 -3.405 15.451 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.412 -2.326 16.719 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.730 -1.966 15.006 1.00 0.00 H new ATOM 20 N LYS A 2 -12.753 3.760 15.252 1.00 0.00 N ATOM 21 CA LYS A 2 -13.145 4.942 14.493 1.00 0.00 C ATOM 22 C LYS A 2 -11.926 5.626 13.882 1.00 0.00 C ATOM 23 O LYS A 2 -11.044 6.102 14.599 1.00 0.00 O ATOM 24 CB LYS A 2 -13.897 5.924 15.393 1.00 0.00 C ATOM 25 CG LYS A 2 -13.240 6.136 16.747 1.00 0.00 C ATOM 26 CD LYS A 2 -14.052 7.078 17.620 1.00 0.00 C ATOM 27 CE LYS A 2 -13.260 7.536 18.833 1.00 0.00 C ATOM 28 NZ LYS A 2 -13.718 8.864 19.327 1.00 0.00 N ATOM 0 H LYS A 2 -11.745 3.637 15.350 1.00 0.00 H new ATOM 0 HA LYS A 2 -13.803 4.623 13.685 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -13.976 6.884 14.883 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -14.913 5.559 15.545 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -13.128 5.177 17.252 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -12.238 6.542 16.607 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -14.357 7.946 17.035 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -14.963 6.578 17.947 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -13.358 6.799 19.630 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -12.202 7.589 18.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -13.153 9.140 20.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -13.601 9.573 18.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -14.721 8.807 19.596 1.00 0.00 H new ATOM 42 N LYS A 3 -11.883 5.671 12.555 1.00 0.00 N ATOM 43 CA LYS A 3 -10.772 6.298 11.846 1.00 0.00 C ATOM 44 C LYS A 3 -11.279 7.338 10.854 1.00 0.00 C ATOM 45 O LYS A 3 -12.483 7.559 10.731 1.00 0.00 O ATOM 46 CB LYS A 3 -9.945 5.238 11.116 1.00 0.00 C ATOM 47 CG LYS A 3 -9.307 4.216 12.044 1.00 0.00 C ATOM 48 CD LYS A 3 -9.865 2.821 11.807 1.00 0.00 C ATOM 49 CE LYS A 3 -9.036 1.764 12.518 1.00 0.00 C ATOM 50 NZ LYS A 3 -9.269 1.771 13.989 1.00 0.00 N ATOM 0 H LYS A 3 -12.604 5.281 11.948 1.00 0.00 H new ATOM 0 HA LYS A 3 -10.141 6.800 12.579 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -10.585 4.719 10.402 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -9.162 5.733 10.541 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -8.228 4.208 11.891 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -9.480 4.507 13.080 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -10.896 2.775 12.159 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -9.884 2.612 10.737 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -9.280 0.781 12.117 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -7.979 1.936 12.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -8.685 1.036 14.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -9.012 2.701 14.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -10.273 1.581 14.182 1.00 0.00 H new ATOM 64 N LEU A 4 -10.352 7.973 10.145 1.00 0.00 N ATOM 65 CA LEU A 4 -10.706 8.989 9.160 1.00 0.00 C ATOM 66 C LEU A 4 -10.318 8.540 7.755 1.00 0.00 C ATOM 67 O LEU A 4 -9.744 7.466 7.571 1.00 0.00 O ATOM 68 CB LEU A 4 -10.016 10.314 9.495 1.00 0.00 C ATOM 69 CG LEU A 4 -10.875 11.563 9.269 1.00 0.00 C ATOM 70 CD1 LEU A 4 -10.983 12.377 10.549 1.00 0.00 C ATOM 71 CD2 LEU A 4 -10.303 12.411 8.141 1.00 0.00 C ATOM 0 H LEU A 4 -9.350 7.802 10.234 1.00 0.00 H new ATOM 0 HA LEU A 4 -11.786 9.132 9.191 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -9.703 10.290 10.539 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.112 10.399 8.892 1.00 0.00 H new ATOM 0 HG LEU A 4 -11.876 11.242 8.982 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.597 13.260 10.368 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.442 11.769 11.329 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.988 12.686 10.869 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.927 13.293 7.996 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.290 12.721 8.397 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.282 11.827 7.221 1.00 0.00 H new ATOM 83 N LYS A 5 -10.637 9.368 6.765 1.00 0.00 N ATOM 84 CA LYS A 5 -10.321 9.053 5.376 1.00 0.00 C ATOM 85 C LYS A 5 -9.910 10.309 4.612 1.00 0.00 C ATOM 86 O LYS A 5 -10.716 11.220 4.416 1.00 0.00 O ATOM 87 CB LYS A 5 -11.523 8.393 4.695 1.00 0.00 C ATOM 88 CG LYS A 5 -11.216 7.019 4.119 1.00 0.00 C ATOM 89 CD LYS A 5 -12.178 5.964 4.640 1.00 0.00 C ATOM 90 CE LYS A 5 -11.608 4.563 4.486 1.00 0.00 C ATOM 91 NZ LYS A 5 -12.649 3.580 4.074 1.00 0.00 N ATOM 0 H LYS A 5 -11.113 10.260 6.898 1.00 0.00 H new ATOM 0 HA LYS A 5 -9.482 8.357 5.368 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -12.335 8.302 5.417 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -11.879 9.042 3.895 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -11.274 7.059 3.031 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -10.194 6.738 4.374 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -12.395 6.156 5.691 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -13.123 6.034 4.101 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.808 4.576 3.745 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -11.163 4.247 5.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.219 2.638 3.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -13.400 3.548 4.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -13.056 3.867 3.161 1.00 0.00 H new ATOM 105 N LYS A 6 -8.653 10.349 4.184 1.00 0.00 N ATOM 106 CA LYS A 6 -8.134 11.492 3.441 1.00 0.00 C ATOM 107 C LYS A 6 -8.198 12.766 4.279 1.00 0.00 C ATOM 108 O LYS A 6 -8.940 13.695 3.959 1.00 0.00 O ATOM 109 CB LYS A 6 -8.920 11.678 2.141 1.00 0.00 C ATOM 110 CG LYS A 6 -8.135 12.394 1.053 1.00 0.00 C ATOM 111 CD LYS A 6 -7.391 11.411 0.161 1.00 0.00 C ATOM 112 CE LYS A 6 -7.787 11.567 -1.299 1.00 0.00 C ATOM 113 NZ LYS A 6 -8.743 10.510 -1.730 1.00 0.00 N ATOM 0 H LYS A 6 -7.974 9.603 4.339 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.089 11.294 3.201 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.230 10.701 1.771 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -9.829 12.242 2.353 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.815 12.993 0.447 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -7.424 13.082 1.510 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -6.317 11.565 0.265 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -7.600 10.392 0.488 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -8.238 12.548 -1.450 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.895 11.526 -1.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -8.988 10.651 -2.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -8.304 9.575 -1.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -9.605 10.565 -1.151 1.00 0.00 H new ATOM 127 N HIS A 7 -7.413 12.805 5.351 1.00 0.00 N ATOM 128 CA HIS A 7 -7.380 13.967 6.232 1.00 0.00 C ATOM 129 C HIS A 7 -6.407 15.024 5.709 1.00 0.00 C ATOM 130 O HIS A 7 -6.752 16.201 5.619 1.00 0.00 O ATOM 131 CB HIS A 7 -6.984 13.553 7.651 1.00 0.00 C ATOM 132 CG HIS A 7 -7.623 14.387 8.716 1.00 0.00 C ATOM 133 ND1 HIS A 7 -7.913 15.726 8.552 1.00 0.00 N ATOM 134 CD2 HIS A 7 -8.029 14.068 9.969 1.00 0.00 C ATOM 135 CE1 HIS A 7 -8.469 16.193 9.656 1.00 0.00 C ATOM 136 NE2 HIS A 7 -8.551 15.206 10.531 1.00 0.00 N ATOM 0 H HIS A 7 -6.792 12.046 5.630 1.00 0.00 H new ATOM 0 HA HIS A 7 -8.381 14.398 6.254 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -7.256 12.509 7.806 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -5.901 13.618 7.751 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -7.727 16.271 7.710 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -7.955 13.098 10.438 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -8.800 17.208 9.816 1.00 0.00 H new ATOM 145 N PRO A 8 -5.173 14.616 5.358 1.00 0.00 N ATOM 146 CA PRO A 8 -4.151 15.536 4.843 1.00 0.00 C ATOM 147 C PRO A 8 -4.509 16.105 3.472 1.00 0.00 C ATOM 148 O PRO A 8 -3.818 16.984 2.958 1.00 0.00 O ATOM 149 CB PRO A 8 -2.886 14.669 4.745 1.00 0.00 C ATOM 150 CG PRO A 8 -3.186 13.439 5.535 1.00 0.00 C ATOM 151 CD PRO A 8 -4.668 13.238 5.432 1.00 0.00 C ATOM 0 HA PRO A 8 -4.037 16.405 5.492 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.657 14.424 3.708 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.019 15.193 5.147 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.646 12.579 5.139 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -2.879 13.557 6.574 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -4.938 12.659 4.549 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.066 12.706 6.296 1.00 0.00 H new ATOM 159 N ASP A 9 -5.587 15.595 2.875 1.00 0.00 N ATOM 160 CA ASP A 9 -6.025 16.053 1.560 1.00 0.00 C ATOM 161 C ASP A 9 -5.031 15.626 0.484 1.00 0.00 C ATOM 162 O ASP A 9 -4.889 16.288 -0.543 1.00 0.00 O ATOM 163 CB ASP A 9 -6.195 17.576 1.548 1.00 0.00 C ATOM 164 CG ASP A 9 -7.653 17.993 1.535 1.00 0.00 C ATOM 165 OD1 ASP A 9 -8.345 17.699 0.538 1.00 0.00 O ATOM 166 OD2 ASP A 9 -8.103 18.611 2.523 1.00 0.00 O ATOM 0 H ASP A 9 -6.171 14.865 3.283 1.00 0.00 H new ATOM 0 HA ASP A 9 -6.990 15.594 1.344 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -5.706 18.001 2.425 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -5.694 17.988 0.672 1.00 0.00 H new ATOM 171 N PHE A 10 -4.347 14.514 0.729 1.00 0.00 N ATOM 172 CA PHE A 10 -3.366 13.991 -0.214 1.00 0.00 C ATOM 173 C PHE A 10 -3.373 12.463 -0.212 1.00 0.00 C ATOM 174 O PHE A 10 -3.287 11.839 0.845 1.00 0.00 O ATOM 175 CB PHE A 10 -1.968 14.503 0.138 1.00 0.00 C ATOM 176 CG PHE A 10 -1.892 15.996 0.287 1.00 0.00 C ATOM 177 CD1 PHE A 10 -2.213 16.828 -0.773 1.00 0.00 C ATOM 178 CD2 PHE A 10 -1.495 16.566 1.486 1.00 0.00 C ATOM 179 CE1 PHE A 10 -2.141 18.202 -0.639 1.00 0.00 C ATOM 180 CE2 PHE A 10 -1.422 17.938 1.626 1.00 0.00 C ATOM 181 CZ PHE A 10 -1.745 18.758 0.561 1.00 0.00 C ATOM 0 H PHE A 10 -4.455 13.956 1.576 1.00 0.00 H new ATOM 0 HA PHE A 10 -3.634 14.339 -1.211 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.643 14.037 1.068 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -1.269 14.188 -0.637 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -2.523 16.399 -1.714 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.240 15.930 2.321 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.394 18.840 -1.473 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.113 18.370 2.566 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.688 19.831 0.667 1.00 0.00 H new ATOM 191 N PRO A 11 -3.477 11.834 -1.398 1.00 0.00 N ATOM 192 CA PRO A 11 -3.491 10.373 -1.519 1.00 0.00 C ATOM 193 C PRO A 11 -2.441 9.698 -0.641 1.00 0.00 C ATOM 194 O PRO A 11 -1.243 9.929 -0.800 1.00 0.00 O ATOM 195 CB PRO A 11 -3.178 10.148 -2.997 1.00 0.00 C ATOM 196 CG PRO A 11 -3.732 11.348 -3.682 1.00 0.00 C ATOM 197 CD PRO A 11 -3.584 12.494 -2.717 1.00 0.00 C ATOM 0 HA PRO A 11 -4.439 9.945 -1.193 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.105 10.054 -3.166 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -3.640 9.232 -3.366 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -3.195 11.549 -4.609 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -4.778 11.196 -3.947 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.699 13.091 -2.938 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.441 13.166 -2.760 1.00 0.00 H new ATOM 205 N LYS A 12 -2.901 8.862 0.287 1.00 0.00 N ATOM 206 CA LYS A 12 -2.003 8.151 1.190 1.00 0.00 C ATOM 207 C LYS A 12 -1.005 7.299 0.410 1.00 0.00 C ATOM 208 O LYS A 12 -0.835 7.473 -0.797 1.00 0.00 O ATOM 209 CB LYS A 12 -2.805 7.271 2.153 1.00 0.00 C ATOM 210 CG LYS A 12 -4.010 7.976 2.760 1.00 0.00 C ATOM 211 CD LYS A 12 -3.890 8.090 4.270 1.00 0.00 C ATOM 212 CE LYS A 12 -4.551 6.913 4.972 1.00 0.00 C ATOM 213 NZ LYS A 12 -6.014 6.858 4.704 1.00 0.00 N ATOM 0 H LYS A 12 -3.890 8.661 0.432 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.446 8.891 1.765 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.144 6.381 1.623 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -2.149 6.933 2.956 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.106 8.971 2.326 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.918 7.429 2.507 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -2.838 8.138 4.550 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.351 9.020 4.604 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.086 5.985 4.640 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.381 6.989 6.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.482 6.297 5.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.403 7.822 4.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.181 6.416 3.778 1.00 0.00 H new ATOM 227 N LYS A 13 -0.344 6.379 1.107 1.00 0.00 N ATOM 228 CA LYS A 13 0.638 5.504 0.478 1.00 0.00 C ATOM 229 C LYS A 13 -0.033 4.289 -0.155 1.00 0.00 C ATOM 230 O LYS A 13 -1.092 3.849 0.295 1.00 0.00 O ATOM 231 CB LYS A 13 1.676 5.049 1.506 1.00 0.00 C ATOM 232 CG LYS A 13 2.224 6.181 2.358 1.00 0.00 C ATOM 233 CD LYS A 13 2.680 5.686 3.721 1.00 0.00 C ATOM 234 CE LYS A 13 3.841 4.712 3.597 1.00 0.00 C ATOM 235 NZ LYS A 13 4.224 4.134 4.914 1.00 0.00 N ATOM 0 H LYS A 13 -0.471 6.221 2.107 1.00 0.00 H new ATOM 0 HA LYS A 13 1.136 6.069 -0.310 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.226 4.300 2.158 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.502 4.564 0.986 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.061 6.652 1.843 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.457 6.945 2.486 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.979 6.534 4.337 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.848 5.200 4.230 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.569 3.908 2.913 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.699 5.224 3.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.019 3.475 4.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.508 4.899 5.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.413 3.624 5.318 1.00 0.00 H new ATOM 249 N PRO A 14 0.577 3.728 -1.216 1.00 0.00 N ATOM 250 CA PRO A 14 0.041 2.559 -1.921 1.00 0.00 C ATOM 251 C PRO A 14 -0.474 1.476 -0.976 1.00 0.00 C ATOM 252 O PRO A 14 -0.251 1.531 0.234 1.00 0.00 O ATOM 253 CB PRO A 14 1.254 2.062 -2.710 1.00 0.00 C ATOM 254 CG PRO A 14 2.014 3.298 -3.017 1.00 0.00 C ATOM 255 CD PRO A 14 1.843 4.196 -1.820 1.00 0.00 C ATOM 0 HA PRO A 14 -0.824 2.809 -2.536 1.00 0.00 H new ATOM 0 HB2 PRO A 14 1.851 1.362 -2.125 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.953 1.542 -3.620 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.067 3.076 -3.191 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.635 3.775 -3.921 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.678 4.102 -1.125 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.786 5.245 -2.110 1.00 0.00 H new ATOM 263 N LEU A 15 -1.162 0.493 -1.546 1.00 0.00 N ATOM 264 CA LEU A 15 -1.715 -0.615 -0.766 1.00 0.00 C ATOM 265 C LEU A 15 -0.590 -1.483 -0.202 1.00 0.00 C ATOM 266 O LEU A 15 0.453 -0.968 0.202 1.00 0.00 O ATOM 267 CB LEU A 15 -2.670 -1.457 -1.630 1.00 0.00 C ATOM 268 CG LEU A 15 -3.439 -0.690 -2.712 1.00 0.00 C ATOM 269 CD1 LEU A 15 -2.931 -1.063 -4.096 1.00 0.00 C ATOM 270 CD2 LEU A 15 -4.932 -0.962 -2.603 1.00 0.00 C ATOM 0 H LEU A 15 -1.352 0.438 -2.547 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.282 -0.203 0.069 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.094 -2.247 -2.111 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.391 -1.943 -0.973 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.271 0.376 -2.559 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.489 -0.508 -4.850 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.872 -0.816 -4.174 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.067 -2.132 -4.258 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.460 -0.409 -3.379 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.118 -2.029 -2.728 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.289 -0.644 -1.624 1.00 0.00 H new ATOM 282 N THR A 16 -0.796 -2.795 -0.174 1.00 0.00 N ATOM 283 CA THR A 16 0.212 -3.716 0.335 1.00 0.00 C ATOM 284 C THR A 16 0.423 -4.881 -0.632 1.00 0.00 C ATOM 285 O THR A 16 -0.499 -5.277 -1.344 1.00 0.00 O ATOM 286 CB THR A 16 -0.192 -4.245 1.710 1.00 0.00 C ATOM 287 OG1 THR A 16 -1.420 -4.948 1.636 1.00 0.00 O ATOM 288 CG2 THR A 16 -0.351 -3.155 2.750 1.00 0.00 C ATOM 0 H THR A 16 -1.652 -3.244 -0.498 1.00 0.00 H new ATOM 0 HA THR A 16 1.150 -3.170 0.429 1.00 0.00 H new ATOM 0 HB THR A 16 0.623 -4.901 2.016 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.661 -5.280 2.526 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.639 -3.600 3.703 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.594 -2.624 2.868 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.123 -2.455 2.429 1.00 0.00 H new ATOM 296 N PRO A 17 1.647 -5.444 -0.671 1.00 0.00 N ATOM 297 CA PRO A 17 1.980 -6.565 -1.552 1.00 0.00 C ATOM 298 C PRO A 17 0.870 -7.614 -1.587 1.00 0.00 C ATOM 299 O PRO A 17 0.653 -8.269 -2.606 1.00 0.00 O ATOM 300 CB PRO A 17 3.262 -7.153 -0.943 1.00 0.00 C ATOM 301 CG PRO A 17 3.618 -6.289 0.230 1.00 0.00 C ATOM 302 CD PRO A 17 2.798 -5.032 0.132 1.00 0.00 C ATOM 0 HA PRO A 17 2.107 -6.243 -2.586 1.00 0.00 H new ATOM 0 HB2 PRO A 17 3.103 -8.185 -0.630 1.00 0.00 H new ATOM 0 HB3 PRO A 17 4.069 -7.163 -1.675 1.00 0.00 H new ATOM 0 HG2 PRO A 17 3.412 -6.809 1.166 1.00 0.00 H new ATOM 0 HG3 PRO A 17 4.682 -6.054 0.224 1.00 0.00 H new ATOM 0 HD2 PRO A 17 2.495 -4.672 1.115 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.354 -4.225 -0.346 1.00 0.00 H new ATOM 310 N TYR A 18 0.161 -7.752 -0.470 1.00 0.00 N ATOM 311 CA TYR A 18 -0.939 -8.705 -0.376 1.00 0.00 C ATOM 312 C TYR A 18 -2.145 -8.190 -1.148 1.00 0.00 C ATOM 313 O TYR A 18 -2.803 -8.938 -1.869 1.00 0.00 O ATOM 314 CB TYR A 18 -1.321 -8.943 1.087 1.00 0.00 C ATOM 315 CG TYR A 18 -2.437 -9.950 1.270 1.00 0.00 C ATOM 316 CD1 TYR A 18 -2.513 -11.087 0.473 1.00 0.00 C ATOM 317 CD2 TYR A 18 -3.414 -9.762 2.239 1.00 0.00 C ATOM 318 CE1 TYR A 18 -3.533 -12.006 0.639 1.00 0.00 C ATOM 319 CE2 TYR A 18 -4.435 -10.678 2.413 1.00 0.00 C ATOM 320 CZ TYR A 18 -4.490 -11.796 1.609 1.00 0.00 C ATOM 321 OH TYR A 18 -5.505 -12.711 1.777 1.00 0.00 O ATOM 0 H TYR A 18 0.329 -7.216 0.382 1.00 0.00 H new ATOM 0 HA TYR A 18 -0.614 -9.650 -0.810 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.441 -9.286 1.631 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.622 -7.995 1.533 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -1.764 -11.255 -0.287 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.376 -8.885 2.868 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -3.580 -12.884 0.012 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -5.185 -10.518 3.174 1.00 0.00 H new ATOM 0 HH TYR A 18 -5.703 -13.141 0.919 1.00 0.00 H new ATOM 331 N PHE A 19 -2.422 -6.898 -0.997 1.00 0.00 N ATOM 332 CA PHE A 19 -3.540 -6.271 -1.686 1.00 0.00 C ATOM 333 C PHE A 19 -3.372 -6.400 -3.195 1.00 0.00 C ATOM 334 O PHE A 19 -4.258 -6.900 -3.886 1.00 0.00 O ATOM 335 CB PHE A 19 -3.654 -4.796 -1.290 1.00 0.00 C ATOM 336 CG PHE A 19 -5.027 -4.405 -0.826 1.00 0.00 C ATOM 337 CD1 PHE A 19 -6.152 -4.822 -1.520 1.00 0.00 C ATOM 338 CD2 PHE A 19 -5.194 -3.620 0.304 1.00 0.00 C ATOM 339 CE1 PHE A 19 -7.417 -4.464 -1.095 1.00 0.00 C ATOM 340 CE2 PHE A 19 -6.456 -3.258 0.733 1.00 0.00 C ATOM 341 CZ PHE A 19 -7.570 -3.681 0.034 1.00 0.00 C ATOM 0 H PHE A 19 -1.886 -6.266 -0.402 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.457 -6.781 -1.391 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.937 -4.585 -0.497 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.377 -4.177 -2.143 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -6.039 -5.434 -2.403 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.327 -3.287 0.856 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.286 -4.796 -1.644 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.572 -2.645 1.614 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.558 -3.401 0.369 1.00 0.00 H new ATOM 351 N ARG A 20 -2.221 -5.962 -3.703 1.00 0.00 N ATOM 352 CA ARG A 20 -1.940 -6.050 -5.130 1.00 0.00 C ATOM 353 C ARG A 20 -2.022 -7.498 -5.607 1.00 0.00 C ATOM 354 O ARG A 20 -2.227 -7.763 -6.786 1.00 0.00 O ATOM 355 CB ARG A 20 -0.555 -5.481 -5.434 1.00 0.00 C ATOM 356 CG ARG A 20 0.584 -6.312 -4.863 1.00 0.00 C ATOM 357 CD ARG A 20 1.917 -5.929 -5.480 1.00 0.00 C ATOM 358 NE ARG A 20 1.825 -5.810 -6.932 1.00 0.00 N ATOM 359 CZ ARG A 20 2.695 -5.137 -7.679 1.00 0.00 C ATOM 360 NH1 ARG A 20 3.730 -4.526 -7.118 1.00 0.00 N ATOM 361 NH2 ARG A 20 2.529 -5.073 -8.993 1.00 0.00 N ATOM 0 H ARG A 20 -1.473 -5.545 -3.149 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.690 -5.464 -5.662 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.432 -5.405 -6.514 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.491 -4.469 -5.034 1.00 0.00 H new ATOM 0 HG2 ARG A 20 0.629 -6.175 -3.783 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.389 -7.369 -5.042 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.255 -4.983 -5.058 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.666 -6.678 -5.223 1.00 0.00 H new ATOM 0 HE ARG A 20 1.046 -6.271 -7.402 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.862 -4.571 -6.108 1.00 0.00 H new ATOM 0 HH12 ARG A 20 4.394 -4.011 -7.697 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.734 -5.540 -9.430 1.00 0.00 H new ATOM 0 HH22 ARG A 20 3.196 -4.557 -9.567 1.00 0.00 H new ATOM 375 N PHE A 21 -1.859 -8.426 -4.670 1.00 0.00 N ATOM 376 CA PHE A 21 -1.915 -9.851 -4.969 1.00 0.00 C ATOM 377 C PHE A 21 -3.356 -10.345 -4.924 1.00 0.00 C ATOM 378 O PHE A 21 -3.767 -11.204 -5.711 1.00 0.00 O ATOM 379 CB PHE A 21 -1.069 -10.615 -3.946 1.00 0.00 C ATOM 380 CG PHE A 21 -0.686 -12.002 -4.369 1.00 0.00 C ATOM 381 CD1 PHE A 21 -1.652 -12.972 -4.584 1.00 0.00 C ATOM 382 CD2 PHE A 21 0.647 -12.342 -4.536 1.00 0.00 C ATOM 383 CE1 PHE A 21 -1.296 -14.252 -4.960 1.00 0.00 C ATOM 384 CE2 PHE A 21 1.009 -13.619 -4.915 1.00 0.00 C ATOM 385 CZ PHE A 21 0.036 -14.577 -5.126 1.00 0.00 C ATOM 0 H PHE A 21 -1.685 -8.213 -3.688 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.521 -10.023 -5.971 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -0.161 -10.046 -3.746 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -1.621 -10.674 -3.008 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.695 -12.724 -4.456 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.412 -11.599 -4.368 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -2.059 -14.999 -5.124 1.00 0.00 H new ATOM 0 HE2 PHE A 21 2.051 -13.869 -5.046 1.00 0.00 H new ATOM 0 HZ PHE A 21 0.316 -15.578 -5.420 1.00 0.00 H new ATOM 395 N PHE A 22 -4.119 -9.783 -3.995 1.00 0.00 N ATOM 396 CA PHE A 22 -5.518 -10.139 -3.816 1.00 0.00 C ATOM 397 C PHE A 22 -6.382 -9.443 -4.857 1.00 0.00 C ATOM 398 O PHE A 22 -7.086 -10.088 -5.633 1.00 0.00 O ATOM 399 CB PHE A 22 -5.955 -9.745 -2.402 1.00 0.00 C ATOM 400 CG PHE A 22 -7.397 -10.026 -2.094 1.00 0.00 C ATOM 401 CD1 PHE A 22 -8.391 -9.161 -2.521 1.00 0.00 C ATOM 402 CD2 PHE A 22 -7.757 -11.147 -1.362 1.00 0.00 C ATOM 403 CE1 PHE A 22 -9.717 -9.411 -2.226 1.00 0.00 C ATOM 404 CE2 PHE A 22 -9.081 -11.399 -1.062 1.00 0.00 C ATOM 405 CZ PHE A 22 -10.062 -10.532 -1.495 1.00 0.00 C ATOM 0 H PHE A 22 -3.785 -9.070 -3.347 1.00 0.00 H new ATOM 0 HA PHE A 22 -5.640 -11.214 -3.946 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.333 -10.276 -1.682 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -5.767 -8.681 -2.261 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -8.127 -8.282 -3.090 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -6.993 -11.831 -1.023 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -10.484 -8.731 -2.566 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -9.348 -12.274 -0.489 1.00 0.00 H new ATOM 0 HZ PHE A 22 -11.098 -10.729 -1.263 1.00 0.00 H new ATOM 415 N MET A 23 -6.308 -8.120 -4.867 1.00 0.00 N ATOM 416 CA MET A 23 -7.066 -7.305 -5.806 1.00 0.00 C ATOM 417 C MET A 23 -6.877 -7.785 -7.247 1.00 0.00 C ATOM 418 O MET A 23 -7.827 -7.815 -8.027 1.00 0.00 O ATOM 419 CB MET A 23 -6.630 -5.847 -5.674 1.00 0.00 C ATOM 420 CG MET A 23 -7.633 -4.978 -4.932 1.00 0.00 C ATOM 421 SD MET A 23 -9.055 -4.537 -5.947 1.00 0.00 S ATOM 422 CE MET A 23 -10.152 -3.845 -4.711 1.00 0.00 C ATOM 0 H MET A 23 -5.723 -7.583 -4.227 1.00 0.00 H new ATOM 0 HA MET A 23 -8.125 -7.398 -5.566 1.00 0.00 H new ATOM 0 HB2 MET A 23 -5.673 -5.808 -5.154 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.469 -5.433 -6.669 1.00 0.00 H new ATOM 0 HG2 MET A 23 -7.976 -5.506 -4.042 1.00 0.00 H new ATOM 0 HG3 MET A 23 -7.138 -4.068 -4.592 1.00 0.00 H new ATOM 0 HE1 MET A 23 -11.079 -3.525 -5.186 1.00 0.00 H new ATOM 0 HE2 MET A 23 -10.373 -4.600 -3.957 1.00 0.00 H new ATOM 0 HE3 MET A 23 -9.672 -2.988 -4.237 1.00 0.00 H new ATOM 432 N GLU A 24 -5.646 -8.152 -7.591 1.00 0.00 N ATOM 433 CA GLU A 24 -5.335 -8.623 -8.937 1.00 0.00 C ATOM 434 C GLU A 24 -6.018 -9.948 -9.240 1.00 0.00 C ATOM 435 O GLU A 24 -6.768 -10.069 -10.209 1.00 0.00 O ATOM 436 CB GLU A 24 -3.824 -8.784 -9.109 1.00 0.00 C ATOM 437 CG GLU A 24 -3.206 -7.755 -10.036 1.00 0.00 C ATOM 438 CD GLU A 24 -2.068 -6.987 -9.391 1.00 0.00 C ATOM 439 OE1 GLU A 24 -0.923 -7.484 -9.425 1.00 0.00 O ATOM 440 OE2 GLU A 24 -2.323 -5.889 -8.852 1.00 0.00 O ATOM 0 H GLU A 24 -4.848 -8.132 -6.956 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.708 -7.875 -9.636 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.346 -8.714 -8.132 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.615 -9.781 -9.496 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -2.838 -8.255 -10.932 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.976 -7.053 -10.356 1.00 0.00 H new ATOM 447 N LYS A 25 -5.735 -10.951 -8.415 1.00 0.00 N ATOM 448 CA LYS A 25 -6.303 -12.278 -8.610 1.00 0.00 C ATOM 449 C LYS A 25 -7.795 -12.307 -8.310 1.00 0.00 C ATOM 450 O LYS A 25 -8.478 -13.281 -8.629 1.00 0.00 O ATOM 451 CB LYS A 25 -5.567 -13.290 -7.745 1.00 0.00 C ATOM 452 CG LYS A 25 -4.293 -13.791 -8.394 1.00 0.00 C ATOM 453 CD LYS A 25 -3.091 -13.641 -7.475 1.00 0.00 C ATOM 454 CE LYS A 25 -1.987 -14.620 -7.839 1.00 0.00 C ATOM 455 NZ LYS A 25 -2.255 -15.987 -7.306 1.00 0.00 N ATOM 0 H LYS A 25 -5.117 -10.870 -7.607 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.179 -12.543 -9.660 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.327 -12.835 -6.784 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.224 -14.136 -7.542 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.413 -14.840 -8.667 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.115 -13.240 -9.317 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.710 -12.622 -7.536 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.398 -13.805 -6.442 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.887 -14.667 -8.923 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.037 -14.258 -7.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.903 -16.697 -7.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.771 -16.105 -6.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.279 -16.113 -7.174 1.00 0.00 H new ATOM 469 N ARG A 26 -8.303 -11.238 -7.712 1.00 0.00 N ATOM 470 CA ARG A 26 -9.723 -11.161 -7.395 1.00 0.00 C ATOM 471 C ARG A 26 -10.539 -11.299 -8.669 1.00 0.00 C ATOM 472 O ARG A 26 -11.599 -11.923 -8.684 1.00 0.00 O ATOM 473 CB ARG A 26 -10.064 -9.836 -6.704 1.00 0.00 C ATOM 474 CG ARG A 26 -10.083 -9.900 -5.182 1.00 0.00 C ATOM 475 CD ARG A 26 -10.630 -11.223 -4.660 1.00 0.00 C ATOM 476 NE ARG A 26 -11.745 -11.730 -5.459 1.00 0.00 N ATOM 477 CZ ARG A 26 -12.948 -11.161 -5.504 1.00 0.00 C ATOM 478 NH1 ARG A 26 -13.200 -10.066 -4.797 1.00 0.00 N ATOM 479 NH2 ARG A 26 -13.904 -11.690 -6.256 1.00 0.00 N ATOM 0 H ARG A 26 -7.759 -10.419 -7.439 1.00 0.00 H new ATOM 0 HA ARG A 26 -9.966 -11.975 -6.712 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -9.339 -9.083 -7.014 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -11.041 -9.501 -7.053 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -9.072 -9.754 -4.803 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.690 -9.082 -4.795 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -9.830 -11.963 -4.650 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -10.957 -11.094 -3.628 1.00 0.00 H new ATOM 0 HE ARG A 26 -11.592 -12.571 -6.016 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -12.470 -9.656 -4.215 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -14.124 -9.635 -4.836 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -13.718 -12.533 -6.800 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -14.826 -11.254 -6.291 1.00 0.00 H new ATOM 493 N ALA A 27 -10.017 -10.719 -9.741 1.00 0.00 N ATOM 494 CA ALA A 27 -10.671 -10.781 -11.038 1.00 0.00 C ATOM 495 C ALA A 27 -10.731 -12.220 -11.517 1.00 0.00 C ATOM 496 O ALA A 27 -11.720 -12.658 -12.104 1.00 0.00 O ATOM 497 CB ALA A 27 -9.926 -9.922 -12.044 1.00 0.00 C ATOM 0 H ALA A 27 -9.140 -10.199 -9.736 1.00 0.00 H new ATOM 0 HA ALA A 27 -11.687 -10.398 -10.941 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -10.426 -9.977 -13.011 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -9.914 -8.888 -11.701 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.903 -10.283 -12.144 1.00 0.00 H new ATOM 503 N LYS A 28 -9.656 -12.954 -11.251 1.00 0.00 N ATOM 504 CA LYS A 28 -9.565 -14.353 -11.639 1.00 0.00 C ATOM 505 C LYS A 28 -10.507 -15.218 -10.802 1.00 0.00 C ATOM 506 O LYS A 28 -10.816 -16.351 -11.170 1.00 0.00 O ATOM 507 CB LYS A 28 -8.126 -14.848 -11.485 1.00 0.00 C ATOM 508 CG LYS A 28 -7.689 -15.797 -12.591 1.00 0.00 C ATOM 509 CD LYS A 28 -8.116 -17.225 -12.297 1.00 0.00 C ATOM 510 CE LYS A 28 -8.838 -17.847 -13.483 1.00 0.00 C ATOM 511 NZ LYS A 28 -9.094 -19.300 -13.279 1.00 0.00 N ATOM 0 H LYS A 28 -8.832 -12.599 -10.765 1.00 0.00 H new ATOM 0 HA LYS A 28 -9.864 -14.435 -12.684 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.455 -13.989 -11.468 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.024 -15.352 -10.524 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.119 -15.475 -13.540 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.605 -15.755 -12.701 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.240 -17.824 -12.048 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.769 -17.238 -11.424 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.785 -17.331 -13.643 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.242 -17.707 -14.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.979 -19.567 -13.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.306 -19.850 -13.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.176 -19.499 -12.261 1.00 0.00 H new ATOM 525 N TYR A 29 -10.961 -14.677 -9.673 1.00 0.00 N ATOM 526 CA TYR A 29 -11.864 -15.398 -8.784 1.00 0.00 C ATOM 527 C TYR A 29 -13.306 -14.950 -8.984 1.00 0.00 C ATOM 528 O TYR A 29 -14.232 -15.750 -8.878 1.00 0.00 O ATOM 529 CB TYR A 29 -11.453 -15.188 -7.326 1.00 0.00 C ATOM 530 CG TYR A 29 -10.131 -15.819 -6.978 1.00 0.00 C ATOM 531 CD1 TYR A 29 -9.959 -17.197 -7.025 1.00 0.00 C ATOM 532 CD2 TYR A 29 -9.052 -15.036 -6.603 1.00 0.00 C ATOM 533 CE1 TYR A 29 -8.745 -17.773 -6.708 1.00 0.00 C ATOM 534 CE2 TYR A 29 -7.838 -15.601 -6.285 1.00 0.00 C ATOM 535 CZ TYR A 29 -7.687 -16.971 -6.339 1.00 0.00 C ATOM 536 OH TYR A 29 -6.475 -17.539 -6.023 1.00 0.00 O ATOM 0 H TYR A 29 -10.716 -13.740 -9.354 1.00 0.00 H new ATOM 0 HA TYR A 29 -11.797 -16.458 -9.027 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -11.401 -14.119 -7.122 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -12.225 -15.599 -6.676 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -10.787 -17.827 -7.314 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -9.165 -13.963 -6.559 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.625 -18.846 -6.749 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -7.008 -14.975 -5.995 1.00 0.00 H new ATOM 0 HH TYR A 29 -6.361 -18.369 -6.531 1.00 0.00 H new ATOM 546 N ALA A 30 -13.489 -13.671 -9.288 1.00 0.00 N ATOM 547 CA ALA A 30 -14.822 -13.129 -9.515 1.00 0.00 C ATOM 548 C ALA A 30 -15.402 -13.683 -10.807 1.00 0.00 C ATOM 549 O ALA A 30 -16.603 -13.591 -11.056 1.00 0.00 O ATOM 550 CB ALA A 30 -14.775 -11.610 -9.561 1.00 0.00 C ATOM 0 H ALA A 30 -12.734 -12.992 -9.383 1.00 0.00 H new ATOM 0 HA ALA A 30 -15.466 -13.429 -8.689 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -15.778 -11.220 -9.731 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -14.393 -11.229 -8.614 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -14.119 -11.291 -10.371 1.00 0.00 H new ATOM 556 N LYS A 31 -14.528 -14.255 -11.625 1.00 0.00 N ATOM 557 CA LYS A 31 -14.923 -14.827 -12.898 1.00 0.00 C ATOM 558 C LYS A 31 -15.085 -16.340 -12.789 1.00 0.00 C ATOM 559 O LYS A 31 -15.895 -16.943 -13.492 1.00 0.00 O ATOM 560 CB LYS A 31 -13.873 -14.483 -13.950 1.00 0.00 C ATOM 561 CG LYS A 31 -14.402 -13.605 -15.070 1.00 0.00 C ATOM 562 CD LYS A 31 -14.096 -12.138 -14.819 1.00 0.00 C ATOM 563 CE LYS A 31 -15.245 -11.441 -14.107 1.00 0.00 C ATOM 564 NZ LYS A 31 -16.074 -10.633 -15.045 1.00 0.00 N ATOM 0 H LYS A 31 -13.531 -14.334 -11.423 1.00 0.00 H new ATOM 0 HA LYS A 31 -15.886 -14.408 -13.190 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -13.038 -13.977 -13.466 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -13.482 -15.407 -14.377 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -13.958 -13.914 -16.016 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -15.479 -13.742 -15.164 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -13.190 -12.052 -14.219 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -13.899 -11.639 -15.768 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -15.873 -12.185 -13.617 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -14.848 -10.794 -13.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -16.846 -10.175 -14.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -15.481 -9.906 -15.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -16.474 -11.254 -15.777 1.00 0.00 H new ATOM 578 N LEU A 32 -14.302 -16.947 -11.904 1.00 0.00 N ATOM 579 CA LEU A 32 -14.349 -18.392 -11.700 1.00 0.00 C ATOM 580 C LEU A 32 -15.238 -18.767 -10.513 1.00 0.00 C ATOM 581 O LEU A 32 -15.478 -19.949 -10.263 1.00 0.00 O ATOM 582 CB LEU A 32 -12.934 -18.937 -11.481 1.00 0.00 C ATOM 583 CG LEU A 32 -12.844 -20.460 -11.333 1.00 0.00 C ATOM 584 CD1 LEU A 32 -11.888 -21.043 -12.363 1.00 0.00 C ATOM 585 CD2 LEU A 32 -12.404 -20.834 -9.925 1.00 0.00 C ATOM 0 H LEU A 32 -13.626 -16.461 -11.315 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.780 -18.839 -12.596 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.309 -18.631 -12.320 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.517 -18.474 -10.587 1.00 0.00 H new ATOM 0 HG LEU A 32 -13.834 -20.880 -11.508 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.838 -22.125 -12.241 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -12.245 -20.807 -13.365 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.895 -20.616 -12.221 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.346 -21.919 -9.838 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.425 -20.401 -9.723 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.126 -20.451 -9.204 1.00 0.00 H new ATOM 597 N HIS A 33 -15.727 -17.767 -9.783 1.00 0.00 N ATOM 598 CA HIS A 33 -16.588 -18.017 -8.629 1.00 0.00 C ATOM 599 C HIS A 33 -17.972 -17.402 -8.835 1.00 0.00 C ATOM 600 O HIS A 33 -18.307 -16.386 -8.226 1.00 0.00 O ATOM 601 CB HIS A 33 -15.949 -17.458 -7.355 1.00 0.00 C ATOM 602 CG HIS A 33 -14.685 -18.160 -6.967 1.00 0.00 C ATOM 603 ND1 HIS A 33 -14.480 -18.705 -5.718 1.00 0.00 N ATOM 604 CD2 HIS A 33 -13.559 -18.411 -7.674 1.00 0.00 C ATOM 605 CE1 HIS A 33 -13.282 -19.260 -5.672 1.00 0.00 C ATOM 606 NE2 HIS A 33 -12.702 -19.096 -6.847 1.00 0.00 N ATOM 0 H HIS A 33 -15.543 -16.781 -9.968 1.00 0.00 H new ATOM 0 HA HIS A 33 -16.704 -19.096 -8.523 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -15.738 -16.398 -7.498 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -16.664 -17.533 -6.536 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -15.149 -18.683 -4.949 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -13.369 -18.126 -8.698 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -12.850 -19.762 -4.819 1.00 0.00 H new ATOM 615 N PRO A 34 -18.795 -18.010 -9.707 1.00 0.00 N ATOM 616 CA PRO A 34 -20.143 -17.520 -9.997 1.00 0.00 C ATOM 617 C PRO A 34 -21.177 -18.006 -8.987 1.00 0.00 C ATOM 618 O PRO A 34 -22.213 -17.371 -8.793 1.00 0.00 O ATOM 619 CB PRO A 34 -20.420 -18.118 -11.372 1.00 0.00 C ATOM 620 CG PRO A 34 -19.695 -19.420 -11.359 1.00 0.00 C ATOM 621 CD PRO A 34 -18.478 -19.223 -10.487 1.00 0.00 C ATOM 0 HA PRO A 34 -20.207 -16.433 -9.954 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -21.488 -18.259 -11.537 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -20.057 -17.469 -12.169 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -20.330 -20.214 -10.966 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -19.406 -19.713 -12.368 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -18.308 -20.082 -9.838 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -17.576 -19.090 -11.084 1.00 0.00 H new ATOM 629 N GLU A 35 -20.896 -19.141 -8.353 1.00 0.00 N ATOM 630 CA GLU A 35 -21.811 -19.712 -7.371 1.00 0.00 C ATOM 631 C GLU A 35 -21.215 -19.680 -5.967 1.00 0.00 C ATOM 632 O GLU A 35 -21.617 -20.452 -5.096 1.00 0.00 O ATOM 633 CB GLU A 35 -22.163 -21.149 -7.751 1.00 0.00 C ATOM 634 CG GLU A 35 -23.594 -21.525 -7.416 1.00 0.00 C ATOM 635 CD GLU A 35 -23.744 -22.992 -7.061 1.00 0.00 C ATOM 636 OE1 GLU A 35 -23.040 -23.824 -7.670 1.00 0.00 O ATOM 637 OE2 GLU A 35 -24.566 -23.306 -6.175 1.00 0.00 O ATOM 0 H GLU A 35 -20.044 -19.682 -8.502 1.00 0.00 H new ATOM 0 HA GLU A 35 -22.716 -19.105 -7.369 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -22.000 -21.285 -8.820 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -21.486 -21.830 -7.236 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -23.940 -20.916 -6.581 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -24.235 -21.293 -8.267 1.00 0.00 H new ATOM 644 N MET A 36 -20.264 -18.781 -5.751 1.00 0.00 N ATOM 645 CA MET A 36 -19.624 -18.647 -4.448 1.00 0.00 C ATOM 646 C MET A 36 -20.093 -17.372 -3.750 1.00 0.00 C ATOM 647 O MET A 36 -21.130 -16.810 -4.102 1.00 0.00 O ATOM 648 CB MET A 36 -18.101 -18.643 -4.603 1.00 0.00 C ATOM 649 CG MET A 36 -17.577 -19.758 -5.497 1.00 0.00 C ATOM 650 SD MET A 36 -17.151 -21.247 -4.574 1.00 0.00 S ATOM 651 CE MET A 36 -15.502 -21.570 -5.194 1.00 0.00 C ATOM 0 H MET A 36 -19.919 -18.134 -6.460 1.00 0.00 H new ATOM 0 HA MET A 36 -19.909 -19.500 -3.832 1.00 0.00 H new ATOM 0 HB2 MET A 36 -17.788 -17.683 -5.013 1.00 0.00 H new ATOM 0 HB3 MET A 36 -17.644 -18.733 -3.618 1.00 0.00 H new ATOM 0 HG2 MET A 36 -18.331 -20.003 -6.246 1.00 0.00 H new ATOM 0 HG3 MET A 36 -16.697 -19.404 -6.034 1.00 0.00 H new ATOM 0 HE1 MET A 36 -15.341 -22.646 -5.256 1.00 0.00 H new ATOM 0 HE2 MET A 36 -15.393 -21.129 -6.185 1.00 0.00 H new ATOM 0 HE3 MET A 36 -14.767 -21.131 -4.519 1.00 0.00 H new ATOM 661 N SER A 37 -19.334 -16.923 -2.755 1.00 0.00 N ATOM 662 CA SER A 37 -19.686 -15.719 -2.011 1.00 0.00 C ATOM 663 C SER A 37 -18.472 -14.824 -1.787 1.00 0.00 C ATOM 664 O SER A 37 -18.514 -13.909 -0.962 1.00 0.00 O ATOM 665 CB SER A 37 -20.289 -16.106 -0.662 1.00 0.00 C ATOM 666 OG SER A 37 -21.666 -15.776 -0.603 1.00 0.00 O ATOM 0 H SER A 37 -18.473 -17.374 -2.446 1.00 0.00 H new ATOM 0 HA SER A 37 -20.414 -15.162 -2.600 1.00 0.00 H new ATOM 0 HB2 SER A 37 -20.161 -17.176 -0.497 1.00 0.00 H new ATOM 0 HB3 SER A 37 -19.755 -15.594 0.138 1.00 0.00 H new ATOM 0 HG SER A 37 -22.028 -16.036 0.270 1.00 0.00 H new ATOM 672 N ASN A 38 -17.388 -15.097 -2.512 1.00 0.00 N ATOM 673 CA ASN A 38 -16.152 -14.325 -2.392 1.00 0.00 C ATOM 674 C ASN A 38 -15.312 -14.810 -1.212 1.00 0.00 C ATOM 675 O ASN A 38 -14.108 -14.564 -1.157 1.00 0.00 O ATOM 676 CB ASN A 38 -16.463 -12.839 -2.238 1.00 0.00 C ATOM 677 CG ASN A 38 -15.313 -11.953 -2.673 1.00 0.00 C ATOM 678 OD1 ASN A 38 -15.226 -11.553 -3.834 1.00 0.00 O ATOM 679 ND2 ASN A 38 -14.420 -11.642 -1.740 1.00 0.00 N ATOM 0 H ASN A 38 -17.341 -15.854 -3.194 1.00 0.00 H new ATOM 0 HA ASN A 38 -15.576 -14.473 -3.305 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -17.348 -12.594 -2.826 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -16.705 -12.629 -1.196 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -13.623 -11.050 -1.974 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -14.531 -11.996 -0.790 1.00 0.00 H new ATOM 686 N LEU A 39 -15.950 -15.504 -0.277 1.00 0.00 N ATOM 687 CA LEU A 39 -15.253 -16.027 0.890 1.00 0.00 C ATOM 688 C LEU A 39 -14.407 -17.230 0.502 1.00 0.00 C ATOM 689 O LEU A 39 -13.291 -17.403 0.994 1.00 0.00 O ATOM 690 CB LEU A 39 -16.255 -16.419 1.979 1.00 0.00 C ATOM 691 CG LEU A 39 -16.921 -15.243 2.698 1.00 0.00 C ATOM 692 CD1 LEU A 39 -18.325 -15.013 2.159 1.00 0.00 C ATOM 693 CD2 LEU A 39 -16.959 -15.487 4.200 1.00 0.00 C ATOM 0 H LEU A 39 -16.947 -15.717 -0.305 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.599 -15.247 1.281 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -17.032 -17.039 1.531 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -15.743 -17.035 2.718 1.00 0.00 H new ATOM 0 HG LEU A 39 -16.330 -14.347 2.510 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -18.783 -14.173 2.682 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -18.274 -14.792 1.093 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -18.926 -15.909 2.315 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -17.436 -14.641 4.694 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -17.526 -16.395 4.407 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -15.942 -15.601 4.576 1.00 0.00 H new ATOM 705 N ASP A 40 -14.940 -18.055 -0.395 1.00 0.00 N ATOM 706 CA ASP A 40 -14.230 -19.238 -0.863 1.00 0.00 C ATOM 707 C ASP A 40 -12.915 -18.840 -1.529 1.00 0.00 C ATOM 708 O ASP A 40 -11.885 -19.480 -1.329 1.00 0.00 O ATOM 709 CB ASP A 40 -15.097 -20.023 -1.850 1.00 0.00 C ATOM 710 CG ASP A 40 -15.968 -21.054 -1.160 1.00 0.00 C ATOM 711 OD1 ASP A 40 -16.544 -20.733 -0.099 1.00 0.00 O ATOM 712 OD2 ASP A 40 -16.074 -22.185 -1.680 1.00 0.00 O ATOM 0 H ASP A 40 -15.862 -17.925 -0.812 1.00 0.00 H new ATOM 0 HA ASP A 40 -14.012 -19.871 -0.003 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.729 -19.330 -2.405 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.455 -20.521 -2.577 1.00 0.00 H new ATOM 717 N LEU A 41 -12.967 -17.773 -2.320 1.00 0.00 N ATOM 718 CA LEU A 41 -11.788 -17.276 -3.019 1.00 0.00 C ATOM 719 C LEU A 41 -10.872 -16.503 -2.073 1.00 0.00 C ATOM 720 O LEU A 41 -9.664 -16.420 -2.300 1.00 0.00 O ATOM 721 CB LEU A 41 -12.192 -16.385 -4.201 1.00 0.00 C ATOM 722 CG LEU A 41 -13.421 -15.494 -3.981 1.00 0.00 C ATOM 723 CD1 LEU A 41 -13.027 -14.023 -3.992 1.00 0.00 C ATOM 724 CD2 LEU A 41 -14.477 -15.774 -5.042 1.00 0.00 C ATOM 0 H LEU A 41 -13.816 -17.235 -2.493 1.00 0.00 H new ATOM 0 HA LEU A 41 -11.242 -18.139 -3.399 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.346 -15.747 -4.455 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -12.380 -17.023 -5.064 1.00 0.00 H new ATOM 0 HG LEU A 41 -13.844 -15.726 -3.004 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -13.913 -13.408 -3.834 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -12.307 -13.833 -3.196 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -12.579 -13.774 -4.954 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -15.343 -15.134 -4.872 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -14.063 -15.570 -6.030 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -14.782 -16.819 -4.985 1.00 0.00 H new ATOM 736 N THR A 42 -11.446 -15.941 -1.014 1.00 0.00 N ATOM 737 CA THR A 42 -10.670 -15.180 -0.040 1.00 0.00 C ATOM 738 C THR A 42 -9.617 -16.062 0.625 1.00 0.00 C ATOM 739 O THR A 42 -8.444 -15.697 0.695 1.00 0.00 O ATOM 740 CB THR A 42 -11.589 -14.568 1.020 1.00 0.00 C ATOM 741 OG1 THR A 42 -12.489 -13.647 0.432 1.00 0.00 O ATOM 742 CG2 THR A 42 -10.842 -13.841 2.119 1.00 0.00 C ATOM 0 H THR A 42 -12.443 -15.998 -0.808 1.00 0.00 H new ATOM 0 HA THR A 42 -10.161 -14.375 -0.570 1.00 0.00 H new ATOM 0 HB THR A 42 -12.118 -15.412 1.462 1.00 0.00 H new ATOM 0 HG1 THR A 42 -13.259 -14.130 0.067 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.555 -13.433 2.835 1.00 0.00 H new ATOM 0 HG22 THR A 42 -10.175 -14.537 2.628 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.257 -13.029 1.686 1.00 0.00 H new ATOM 750 N LYS A 43 -10.042 -17.227 1.107 1.00 0.00 N ATOM 751 CA LYS A 43 -9.128 -18.161 1.761 1.00 0.00 C ATOM 752 C LYS A 43 -7.979 -18.518 0.825 1.00 0.00 C ATOM 753 O LYS A 43 -6.823 -18.592 1.240 1.00 0.00 O ATOM 754 CB LYS A 43 -9.859 -19.439 2.187 1.00 0.00 C ATOM 755 CG LYS A 43 -11.289 -19.216 2.652 1.00 0.00 C ATOM 756 CD LYS A 43 -11.373 -18.112 3.694 1.00 0.00 C ATOM 757 CE LYS A 43 -12.594 -18.279 4.588 1.00 0.00 C ATOM 758 NZ LYS A 43 -13.513 -17.110 4.500 1.00 0.00 N ATOM 0 H LYS A 43 -11.009 -17.547 1.058 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.732 -17.674 2.652 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -9.866 -20.136 1.349 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.297 -19.914 2.992 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -11.914 -18.958 1.797 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.685 -20.142 3.069 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.470 -18.118 4.305 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -11.415 -17.143 3.196 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.130 -19.184 4.304 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -12.272 -18.410 5.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -14.392 -17.320 5.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -13.056 -16.276 4.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -13.734 -16.916 3.502 1.00 0.00 H new ATOM 772 N ILE A 44 -8.314 -18.731 -0.442 1.00 0.00 N ATOM 773 CA ILE A 44 -7.323 -19.079 -1.455 1.00 0.00 C ATOM 774 C ILE A 44 -6.200 -18.046 -1.503 1.00 0.00 C ATOM 775 O ILE A 44 -5.024 -18.395 -1.609 1.00 0.00 O ATOM 776 CB ILE A 44 -7.961 -19.171 -2.856 1.00 0.00 C ATOM 777 CG1 ILE A 44 -9.129 -20.158 -2.857 1.00 0.00 C ATOM 778 CG2 ILE A 44 -6.924 -19.582 -3.892 1.00 0.00 C ATOM 779 CD1 ILE A 44 -9.952 -20.102 -4.125 1.00 0.00 C ATOM 0 H ILE A 44 -9.269 -18.669 -0.794 1.00 0.00 H new ATOM 0 HA ILE A 44 -6.917 -20.051 -1.176 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.343 -18.184 -3.118 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -8.743 -21.169 -2.726 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -9.774 -19.950 -2.003 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.394 -19.641 -4.874 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.123 -18.844 -3.917 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.512 -20.556 -3.628 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -10.765 -20.826 -4.064 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -10.366 -19.101 -4.246 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -9.319 -20.339 -4.980 1.00 0.00 H new ATOM 791 N LEU A 45 -6.576 -16.773 -1.443 1.00 0.00 N ATOM 792 CA LEU A 45 -5.609 -15.684 -1.501 1.00 0.00 C ATOM 793 C LEU A 45 -4.891 -15.497 -0.166 1.00 0.00 C ATOM 794 O LEU A 45 -3.723 -15.107 -0.133 1.00 0.00 O ATOM 795 CB LEU A 45 -6.310 -14.387 -1.903 1.00 0.00 C ATOM 796 CG LEU A 45 -6.780 -14.334 -3.359 1.00 0.00 C ATOM 797 CD1 LEU A 45 -7.734 -13.169 -3.568 1.00 0.00 C ATOM 798 CD2 LEU A 45 -5.589 -14.228 -4.297 1.00 0.00 C ATOM 0 H LEU A 45 -7.546 -16.470 -1.354 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.859 -15.942 -2.249 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -7.172 -14.240 -1.252 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.631 -13.553 -1.725 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.314 -15.257 -3.585 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.058 -13.146 -4.608 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.602 -13.289 -2.920 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.227 -12.235 -3.326 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.940 -14.191 -5.328 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.028 -13.321 -4.072 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.943 -15.096 -4.164 1.00 0.00 H new ATOM 810 N SER A 46 -5.590 -15.769 0.930 1.00 0.00 N ATOM 811 CA SER A 46 -5.003 -15.619 2.259 1.00 0.00 C ATOM 812 C SER A 46 -4.131 -16.815 2.621 1.00 0.00 C ATOM 813 O SER A 46 -3.432 -16.803 3.634 1.00 0.00 O ATOM 814 CB SER A 46 -6.100 -15.425 3.309 1.00 0.00 C ATOM 815 OG SER A 46 -5.627 -15.736 4.609 1.00 0.00 O ATOM 0 H SER A 46 -6.557 -16.092 0.927 1.00 0.00 H new ATOM 0 HA SER A 46 -4.367 -14.734 2.243 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.452 -14.394 3.284 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.953 -16.059 3.068 1.00 0.00 H new ATOM 0 HG SER A 46 -4.655 -15.860 4.583 1.00 0.00 H new ATOM 821 N LYS A 47 -4.174 -17.843 1.788 1.00 0.00 N ATOM 822 CA LYS A 47 -3.394 -19.043 2.011 1.00 0.00 C ATOM 823 C LYS A 47 -2.136 -19.037 1.149 1.00 0.00 C ATOM 824 O LYS A 47 -1.036 -19.292 1.636 1.00 0.00 O ATOM 825 CB LYS A 47 -4.249 -20.265 1.684 1.00 0.00 C ATOM 826 CG LYS A 47 -4.781 -21.002 2.905 1.00 0.00 C ATOM 827 CD LYS A 47 -3.720 -21.145 3.985 1.00 0.00 C ATOM 828 CE LYS A 47 -4.075 -22.245 4.974 1.00 0.00 C ATOM 829 NZ LYS A 47 -3.743 -23.597 4.446 1.00 0.00 N ATOM 0 H LYS A 47 -4.747 -17.866 0.945 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.088 -19.079 3.056 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.092 -19.950 1.068 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.658 -20.958 1.085 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.640 -20.465 3.308 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.133 -21.990 2.608 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.757 -21.366 3.524 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.610 -20.199 4.515 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.539 -22.079 5.909 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.139 -22.197 5.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.000 -24.318 5.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.273 -23.766 3.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.723 -23.653 4.251 1.00 0.00 H new ATOM 843 N LYS A 48 -2.312 -18.746 -0.134 1.00 0.00 N ATOM 844 CA LYS A 48 -1.196 -18.706 -1.067 1.00 0.00 C ATOM 845 C LYS A 48 -0.200 -17.618 -0.681 1.00 0.00 C ATOM 846 O LYS A 48 0.996 -17.877 -0.563 1.00 0.00 O ATOM 847 CB LYS A 48 -1.702 -18.475 -2.493 1.00 0.00 C ATOM 848 CG LYS A 48 -1.885 -19.758 -3.287 1.00 0.00 C ATOM 849 CD LYS A 48 -3.266 -19.837 -3.919 1.00 0.00 C ATOM 850 CE LYS A 48 -3.223 -19.493 -5.400 1.00 0.00 C ATOM 851 NZ LYS A 48 -3.607 -18.077 -5.652 1.00 0.00 N ATOM 0 H LYS A 48 -3.218 -18.534 -0.551 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.685 -19.668 -1.024 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.653 -17.944 -2.451 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.999 -17.829 -3.019 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.125 -19.815 -4.066 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.735 -20.616 -2.632 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.669 -20.841 -3.789 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.942 -19.153 -3.405 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.219 -19.671 -5.785 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.896 -20.154 -5.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.714 -17.923 -6.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.508 -17.872 -5.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.868 -17.446 -5.282 1.00 0.00 H new ATOM 865 N TYR A 49 -0.702 -16.399 -0.490 1.00 0.00 N ATOM 866 CA TYR A 49 0.139 -15.268 -0.123 1.00 0.00 C ATOM 867 C TYR A 49 1.135 -15.625 0.975 1.00 0.00 C ATOM 868 O TYR A 49 2.310 -15.270 0.895 1.00 0.00 O ATOM 869 CB TYR A 49 -0.723 -14.095 0.334 1.00 0.00 C ATOM 870 CG TYR A 49 0.080 -12.843 0.568 1.00 0.00 C ATOM 871 CD1 TYR A 49 0.631 -12.153 -0.497 1.00 0.00 C ATOM 872 CD2 TYR A 49 0.296 -12.362 1.849 1.00 0.00 C ATOM 873 CE1 TYR A 49 1.379 -11.009 -0.296 1.00 0.00 C ATOM 874 CE2 TYR A 49 1.043 -11.221 2.064 1.00 0.00 C ATOM 875 CZ TYR A 49 1.583 -10.547 0.988 1.00 0.00 C ATOM 876 OH TYR A 49 2.329 -9.408 1.196 1.00 0.00 O ATOM 0 H TYR A 49 -1.692 -16.172 -0.585 1.00 0.00 H new ATOM 0 HA TYR A 49 0.705 -14.988 -1.011 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.488 -13.897 -0.417 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.242 -14.367 1.253 1.00 0.00 H new ATOM 0 HD1 TYR A 49 0.474 -12.515 -1.502 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -0.126 -12.888 2.693 1.00 0.00 H new ATOM 0 HE1 TYR A 49 1.801 -10.480 -1.138 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.204 -10.858 3.068 1.00 0.00 H new ATOM 0 HH TYR A 49 2.376 -9.218 2.156 1.00 0.00 H new ATOM 886 N LYS A 50 0.664 -16.322 2.003 1.00 0.00 N ATOM 887 CA LYS A 50 1.522 -16.711 3.106 1.00 0.00 C ATOM 888 C LYS A 50 2.346 -17.937 2.724 1.00 0.00 C ATOM 889 O LYS A 50 3.489 -18.090 3.156 1.00 0.00 O ATOM 890 CB LYS A 50 0.659 -16.966 4.350 1.00 0.00 C ATOM 891 CG LYS A 50 1.112 -18.123 5.227 1.00 0.00 C ATOM 892 CD LYS A 50 1.748 -17.630 6.520 1.00 0.00 C ATOM 893 CE LYS A 50 3.230 -17.329 6.335 1.00 0.00 C ATOM 894 NZ LYS A 50 4.077 -18.130 7.262 1.00 0.00 N ATOM 0 H LYS A 50 -0.305 -16.627 2.092 1.00 0.00 H new ATOM 0 HA LYS A 50 2.224 -15.909 3.335 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.643 -16.058 4.953 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.366 -17.154 4.029 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.258 -18.760 5.460 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.827 -18.737 4.680 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.233 -16.732 6.860 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.623 -18.383 7.298 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.518 -17.540 5.305 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.409 -16.267 6.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.079 -17.897 7.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.820 -17.910 8.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.925 -19.143 7.083 1.00 0.00 H new ATOM 908 N GLU A 51 1.759 -18.806 1.908 1.00 0.00 N ATOM 909 CA GLU A 51 2.438 -20.019 1.464 1.00 0.00 C ATOM 910 C GLU A 51 3.805 -19.683 0.870 1.00 0.00 C ATOM 911 O GLU A 51 4.750 -20.465 0.978 1.00 0.00 O ATOM 912 CB GLU A 51 1.579 -20.760 0.438 1.00 0.00 C ATOM 913 CG GLU A 51 1.220 -22.178 0.857 1.00 0.00 C ATOM 914 CD GLU A 51 1.419 -23.184 -0.261 1.00 0.00 C ATOM 915 OE1 GLU A 51 0.501 -23.333 -1.095 1.00 0.00 O ATOM 916 OE2 GLU A 51 2.491 -23.824 -0.300 1.00 0.00 O ATOM 0 H GLU A 51 0.814 -18.693 1.540 1.00 0.00 H new ATOM 0 HA GLU A 51 2.589 -20.667 2.327 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.661 -20.196 0.269 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.111 -20.794 -0.513 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.831 -22.466 1.713 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.180 -22.204 1.184 1.00 0.00 H new ATOM 923 N LEU A 52 3.903 -18.508 0.251 1.00 0.00 N ATOM 924 CA LEU A 52 5.151 -18.052 -0.352 1.00 0.00 C ATOM 925 C LEU A 52 6.326 -18.249 0.603 1.00 0.00 C ATOM 926 O LEU A 52 6.255 -17.867 1.771 1.00 0.00 O ATOM 927 CB LEU A 52 5.037 -16.577 -0.738 1.00 0.00 C ATOM 928 CG LEU A 52 4.366 -16.312 -2.086 1.00 0.00 C ATOM 929 CD1 LEU A 52 2.861 -16.488 -1.979 1.00 0.00 C ATOM 930 CD2 LEU A 52 4.707 -14.916 -2.588 1.00 0.00 C ATOM 0 H LEU A 52 3.128 -17.852 0.154 1.00 0.00 H new ATOM 0 HA LEU A 52 5.333 -18.647 -1.247 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.477 -16.056 0.038 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.037 -16.143 -0.755 1.00 0.00 H new ATOM 0 HG LEU A 52 4.745 -17.038 -2.805 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.402 -16.295 -2.949 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.635 -17.508 -1.667 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.464 -15.788 -1.244 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.220 -14.746 -3.548 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.358 -14.175 -1.868 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.787 -14.826 -2.707 1.00 0.00 H new ATOM 942 N PRO A 53 7.426 -18.851 0.119 1.00 0.00 N ATOM 943 CA PRO A 53 8.621 -19.097 0.936 1.00 0.00 C ATOM 944 C PRO A 53 9.298 -17.820 1.415 1.00 0.00 C ATOM 945 O PRO A 53 10.474 -17.830 1.773 1.00 0.00 O ATOM 946 CB PRO A 53 9.567 -19.840 -0.005 1.00 0.00 C ATOM 947 CG PRO A 53 9.064 -19.569 -1.381 1.00 0.00 C ATOM 948 CD PRO A 53 7.588 -19.344 -1.259 1.00 0.00 C ATOM 0 HA PRO A 53 8.357 -19.645 1.841 1.00 0.00 H new ATOM 0 HB2 PRO A 53 10.592 -19.489 0.113 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.570 -20.909 0.207 1.00 0.00 H new ATOM 0 HG2 PRO A 53 9.555 -18.695 -1.808 1.00 0.00 H new ATOM 0 HG3 PRO A 53 9.275 -20.409 -2.043 1.00 0.00 H new ATOM 0 HD2 PRO A 53 7.231 -18.618 -1.989 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.027 -20.264 -1.424 1.00 0.00 H new ATOM 956 N GLU A 54 8.555 -16.728 1.405 1.00 0.00 N ATOM 957 CA GLU A 54 9.074 -15.440 1.823 1.00 0.00 C ATOM 958 C GLU A 54 10.119 -14.911 0.839 1.00 0.00 C ATOM 959 O GLU A 54 10.687 -13.838 1.036 1.00 0.00 O ATOM 960 CB GLU A 54 9.674 -15.542 3.218 1.00 0.00 C ATOM 961 CG GLU A 54 10.104 -14.203 3.746 1.00 0.00 C ATOM 962 CD GLU A 54 10.658 -14.271 5.155 1.00 0.00 C ATOM 963 OE1 GLU A 54 11.615 -15.043 5.381 1.00 0.00 O ATOM 964 OE2 GLU A 54 10.136 -13.555 6.034 1.00 0.00 O ATOM 0 H GLU A 54 7.579 -16.709 1.108 1.00 0.00 H new ATOM 0 HA GLU A 54 8.242 -14.736 1.840 1.00 0.00 H new ATOM 0 HB2 GLU A 54 8.942 -15.981 3.896 1.00 0.00 H new ATOM 0 HB3 GLU A 54 10.531 -16.215 3.195 1.00 0.00 H new ATOM 0 HG2 GLU A 54 10.862 -13.784 3.084 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.253 -13.522 3.729 1.00 0.00 H new ATOM 971 N LYS A 55 10.359 -15.663 -0.226 1.00 0.00 N ATOM 972 CA LYS A 55 11.328 -15.265 -1.241 1.00 0.00 C ATOM 973 C LYS A 55 10.646 -14.540 -2.402 1.00 0.00 C ATOM 974 O LYS A 55 11.302 -13.859 -3.190 1.00 0.00 O ATOM 975 CB LYS A 55 12.100 -16.486 -1.757 1.00 0.00 C ATOM 976 CG LYS A 55 11.324 -17.333 -2.755 1.00 0.00 C ATOM 977 CD LYS A 55 11.800 -17.096 -4.180 1.00 0.00 C ATOM 978 CE LYS A 55 11.696 -18.361 -5.020 1.00 0.00 C ATOM 979 NZ LYS A 55 10.282 -18.783 -5.217 1.00 0.00 N ATOM 0 H LYS A 55 9.896 -16.553 -0.411 1.00 0.00 H new ATOM 0 HA LYS A 55 12.033 -14.575 -0.777 1.00 0.00 H new ATOM 0 HB2 LYS A 55 13.024 -16.147 -2.225 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.382 -17.110 -0.909 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.437 -18.388 -2.504 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.262 -17.100 -2.682 1.00 0.00 H new ATOM 0 HD2 LYS A 55 11.205 -16.305 -4.637 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.834 -16.751 -4.167 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.163 -18.192 -5.990 1.00 0.00 H new ATOM 0 HE3 LYS A 55 12.250 -19.165 -4.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.255 -19.648 -5.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.843 -18.970 -4.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.758 -18.027 -5.702 1.00 0.00 H new ATOM 993 N LYS A 56 9.328 -14.686 -2.499 1.00 0.00 N ATOM 994 CA LYS A 56 8.565 -14.041 -3.561 1.00 0.00 C ATOM 995 C LYS A 56 8.012 -12.702 -3.086 1.00 0.00 C ATOM 996 O LYS A 56 7.859 -11.766 -3.871 1.00 0.00 O ATOM 997 CB LYS A 56 7.425 -14.950 -4.019 1.00 0.00 C ATOM 998 CG LYS A 56 7.859 -16.003 -5.026 1.00 0.00 C ATOM 999 CD LYS A 56 6.677 -16.532 -5.823 1.00 0.00 C ATOM 1000 CE LYS A 56 7.128 -17.186 -7.119 1.00 0.00 C ATOM 1001 NZ LYS A 56 6.417 -18.469 -7.370 1.00 0.00 N ATOM 0 H LYS A 56 8.767 -15.245 -1.856 1.00 0.00 H new ATOM 0 HA LYS A 56 9.232 -13.860 -4.404 1.00 0.00 H new ATOM 0 HB2 LYS A 56 6.994 -15.446 -3.149 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.638 -14.339 -4.460 1.00 0.00 H new ATOM 0 HG2 LYS A 56 8.596 -15.576 -5.706 1.00 0.00 H new ATOM 0 HG3 LYS A 56 8.346 -16.827 -4.505 1.00 0.00 H new ATOM 0 HD2 LYS A 56 6.126 -17.255 -5.222 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.992 -15.714 -6.046 1.00 0.00 H new ATOM 0 HE2 LYS A 56 6.951 -16.504 -7.951 1.00 0.00 H new ATOM 0 HE3 LYS A 56 8.202 -17.368 -7.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.753 -18.883 -8.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.606 -19.129 -6.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.394 -18.292 -7.434 1.00 0.00 H new ATOM 1015 N LYS A 57 7.730 -12.615 -1.790 1.00 0.00 N ATOM 1016 CA LYS A 57 7.210 -11.391 -1.197 1.00 0.00 C ATOM 1017 C LYS A 57 8.212 -10.264 -1.368 1.00 0.00 C ATOM 1018 O LYS A 57 7.848 -9.134 -1.694 1.00 0.00 O ATOM 1019 CB LYS A 57 6.906 -11.617 0.279 1.00 0.00 C ATOM 1020 CG LYS A 57 5.833 -12.661 0.500 1.00 0.00 C ATOM 1021 CD LYS A 57 5.856 -13.193 1.923 1.00 0.00 C ATOM 1022 CE LYS A 57 4.665 -14.095 2.201 1.00 0.00 C ATOM 1023 NZ LYS A 57 4.999 -15.174 3.172 1.00 0.00 N ATOM 0 H LYS A 57 7.854 -13.382 -1.129 1.00 0.00 H new ATOM 0 HA LYS A 57 6.286 -11.113 -1.704 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.818 -11.925 0.791 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.590 -10.676 0.729 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.855 -12.229 0.288 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.976 -13.485 -0.199 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.780 -13.747 2.090 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.853 -12.359 2.624 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.841 -13.498 2.591 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.322 -14.541 1.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.360 -15.981 3.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.982 -15.480 3.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.889 -14.815 4.142 1.00 0.00 H new ATOM 1037 N MET A 58 9.484 -10.591 -1.174 1.00 0.00 N ATOM 1038 CA MET A 58 10.555 -9.617 -1.334 1.00 0.00 C ATOM 1039 C MET A 58 10.394 -8.866 -2.651 1.00 0.00 C ATOM 1040 O MET A 58 10.834 -7.727 -2.789 1.00 0.00 O ATOM 1041 CB MET A 58 11.908 -10.324 -1.298 1.00 0.00 C ATOM 1042 CG MET A 58 12.396 -10.639 0.106 1.00 0.00 C ATOM 1043 SD MET A 58 13.669 -9.497 0.674 1.00 0.00 S ATOM 1044 CE MET A 58 12.698 -8.389 1.694 1.00 0.00 C ATOM 0 H MET A 58 9.798 -11.524 -0.906 1.00 0.00 H new ATOM 0 HA MET A 58 10.504 -8.900 -0.515 1.00 0.00 H new ATOM 0 HB2 MET A 58 11.838 -11.252 -1.865 1.00 0.00 H new ATOM 0 HB3 MET A 58 12.648 -9.699 -1.799 1.00 0.00 H new ATOM 0 HG2 MET A 58 11.552 -10.607 0.795 1.00 0.00 H new ATOM 0 HG3 MET A 58 12.789 -11.655 0.130 1.00 0.00 H new ATOM 0 HE1 MET A 58 13.347 -7.623 2.119 1.00 0.00 H new ATOM 0 HE2 MET A 58 11.928 -7.916 1.085 1.00 0.00 H new ATOM 0 HE3 MET A 58 12.228 -8.954 2.499 1.00 0.00 H new ATOM 1054 N LYS A 59 9.740 -9.515 -3.611 1.00 0.00 N ATOM 1055 CA LYS A 59 9.498 -8.915 -4.912 1.00 0.00 C ATOM 1056 C LYS A 59 8.330 -7.938 -4.825 1.00 0.00 C ATOM 1057 O LYS A 59 8.446 -6.783 -5.229 1.00 0.00 O ATOM 1058 CB LYS A 59 9.229 -10.011 -5.958 1.00 0.00 C ATOM 1059 CG LYS A 59 7.836 -9.978 -6.576 1.00 0.00 C ATOM 1060 CD LYS A 59 7.725 -10.934 -7.755 1.00 0.00 C ATOM 1061 CE LYS A 59 8.110 -12.353 -7.368 1.00 0.00 C ATOM 1062 NZ LYS A 59 9.470 -12.713 -7.860 1.00 0.00 N ATOM 0 H LYS A 59 9.369 -10.459 -3.508 1.00 0.00 H new ATOM 0 HA LYS A 59 10.383 -8.361 -5.224 1.00 0.00 H new ATOM 0 HB2 LYS A 59 9.967 -9.921 -6.755 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.381 -10.984 -5.491 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.096 -10.243 -5.821 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.607 -8.965 -6.905 1.00 0.00 H new ATOM 0 HD2 LYS A 59 6.704 -10.925 -8.135 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.369 -10.590 -8.564 1.00 0.00 H new ATOM 0 HE2 LYS A 59 8.077 -12.455 -6.283 1.00 0.00 H new ATOM 0 HE3 LYS A 59 7.380 -13.052 -7.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 9.695 -13.688 -7.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 9.494 -12.640 -8.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 10.171 -12.062 -7.451 1.00 0.00 H new ATOM 1076 N TYR A 60 7.206 -8.407 -4.286 1.00 0.00 N ATOM 1077 CA TYR A 60 6.031 -7.561 -4.145 1.00 0.00 C ATOM 1078 C TYR A 60 6.326 -6.392 -3.223 1.00 0.00 C ATOM 1079 O TYR A 60 6.116 -5.236 -3.587 1.00 0.00 O ATOM 1080 CB TYR A 60 4.858 -8.350 -3.575 1.00 0.00 C ATOM 1081 CG TYR A 60 4.447 -9.550 -4.392 1.00 0.00 C ATOM 1082 CD1 TYR A 60 4.116 -9.424 -5.735 1.00 0.00 C ATOM 1083 CD2 TYR A 60 4.374 -10.808 -3.813 1.00 0.00 C ATOM 1084 CE1 TYR A 60 3.724 -10.522 -6.476 1.00 0.00 C ATOM 1085 CE2 TYR A 60 3.987 -11.910 -4.547 1.00 0.00 C ATOM 1086 CZ TYR A 60 3.663 -11.763 -5.879 1.00 0.00 C ATOM 1087 OH TYR A 60 3.273 -12.858 -6.613 1.00 0.00 O ATOM 0 H TYR A 60 7.088 -9.361 -3.944 1.00 0.00 H new ATOM 0 HA TYR A 60 5.770 -7.192 -5.137 1.00 0.00 H new ATOM 0 HB2 TYR A 60 5.117 -8.683 -2.570 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.002 -7.683 -3.479 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.166 -8.454 -6.207 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.625 -10.927 -2.769 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.466 -10.409 -7.519 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.938 -12.883 -4.081 1.00 0.00 H new ATOM 0 HH TYR A 60 2.325 -13.042 -6.447 1.00 0.00 H new ATOM 1097 N ILE A 61 6.812 -6.698 -2.018 1.00 0.00 N ATOM 1098 CA ILE A 61 7.129 -5.659 -1.044 1.00 0.00 C ATOM 1099 C ILE A 61 8.041 -4.615 -1.665 1.00 0.00 C ATOM 1100 O ILE A 61 7.761 -3.422 -1.607 1.00 0.00 O ATOM 1101 CB ILE A 61 7.813 -6.221 0.228 1.00 0.00 C ATOM 1102 CG1 ILE A 61 6.804 -6.948 1.125 1.00 0.00 C ATOM 1103 CG2 ILE A 61 8.490 -5.106 1.016 1.00 0.00 C ATOM 1104 CD1 ILE A 61 6.110 -8.116 0.458 1.00 0.00 C ATOM 0 H ILE A 61 6.992 -7.650 -1.698 1.00 0.00 H new ATOM 0 HA ILE A 61 6.179 -5.213 -0.750 1.00 0.00 H new ATOM 0 HB ILE A 61 8.569 -6.936 -0.096 1.00 0.00 H new ATOM 0 HG12 ILE A 61 7.319 -7.307 2.016 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.051 -6.234 1.458 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.963 -5.524 1.904 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.246 -4.628 0.393 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.746 -4.368 1.315 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.414 -8.575 1.160 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.564 -7.763 -0.417 1.00 0.00 H new ATOM 0 HD13 ILE A 61 6.852 -8.852 0.150 1.00 0.00 H new ATOM 1116 N GLN A 62 9.128 -5.080 -2.271 1.00 0.00 N ATOM 1117 CA GLN A 62 10.080 -4.195 -2.905 1.00 0.00 C ATOM 1118 C GLN A 62 9.453 -3.538 -4.114 1.00 0.00 C ATOM 1119 O GLN A 62 9.788 -2.402 -4.455 1.00 0.00 O ATOM 1120 CB GLN A 62 11.338 -4.962 -3.316 1.00 0.00 C ATOM 1121 CG GLN A 62 12.171 -5.443 -2.137 1.00 0.00 C ATOM 1122 CD GLN A 62 13.339 -4.527 -1.834 1.00 0.00 C ATOM 1123 OE1 GLN A 62 14.427 -4.984 -1.484 1.00 0.00 O ATOM 1124 NE2 GLN A 62 13.120 -3.225 -1.963 1.00 0.00 N ATOM 0 H GLN A 62 9.366 -6.070 -2.333 1.00 0.00 H new ATOM 0 HA GLN A 62 10.365 -3.424 -2.189 1.00 0.00 H new ATOM 0 HB2 GLN A 62 11.048 -5.822 -3.920 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.954 -4.322 -3.948 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.535 -5.518 -1.255 1.00 0.00 H new ATOM 0 HG3 GLN A 62 12.545 -6.445 -2.347 1.00 0.00 H new ATOM 0 HE21 GLN A 62 12.203 -2.889 -2.256 1.00 0.00 H new ATOM 0 HE22 GLN A 62 13.869 -2.560 -1.769 1.00 0.00 H new ATOM 1133 N ASP A 63 8.508 -4.233 -4.745 1.00 0.00 N ATOM 1134 CA ASP A 63 7.835 -3.666 -5.891 1.00 0.00 C ATOM 1135 C ASP A 63 6.760 -2.716 -5.407 1.00 0.00 C ATOM 1136 O ASP A 63 6.160 -1.972 -6.182 1.00 0.00 O ATOM 1137 CB ASP A 63 7.235 -4.757 -6.779 1.00 0.00 C ATOM 1138 CG ASP A 63 6.806 -4.228 -8.134 1.00 0.00 C ATOM 1139 OD1 ASP A 63 5.853 -3.422 -8.180 1.00 0.00 O ATOM 1140 OD2 ASP A 63 7.423 -4.618 -9.146 1.00 0.00 O ATOM 0 H ASP A 63 8.202 -5.170 -4.482 1.00 0.00 H new ATOM 0 HA ASP A 63 8.559 -3.122 -6.497 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.967 -5.552 -6.918 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.375 -5.199 -6.276 1.00 0.00 H new ATOM 1145 N PHE A 64 6.533 -2.759 -4.102 1.00 0.00 N ATOM 1146 CA PHE A 64 5.554 -1.925 -3.463 1.00 0.00 C ATOM 1147 C PHE A 64 6.211 -0.728 -2.812 1.00 0.00 C ATOM 1148 O PHE A 64 6.041 0.410 -3.246 1.00 0.00 O ATOM 1149 CB PHE A 64 4.824 -2.733 -2.408 1.00 0.00 C ATOM 1150 CG PHE A 64 3.365 -2.582 -2.526 1.00 0.00 C ATOM 1151 CD1 PHE A 64 2.772 -1.401 -2.159 1.00 0.00 C ATOM 1152 CD2 PHE A 64 2.599 -3.606 -3.026 1.00 0.00 C ATOM 1153 CE1 PHE A 64 1.415 -1.232 -2.283 1.00 0.00 C ATOM 1154 CE2 PHE A 64 1.234 -3.452 -3.159 1.00 0.00 C ATOM 1155 CZ PHE A 64 0.639 -2.260 -2.786 1.00 0.00 C ATOM 0 H PHE A 64 7.031 -3.380 -3.463 1.00 0.00 H new ATOM 0 HA PHE A 64 4.852 -1.568 -4.217 1.00 0.00 H new ATOM 0 HB2 PHE A 64 5.091 -3.785 -2.505 1.00 0.00 H new ATOM 0 HB3 PHE A 64 5.145 -2.413 -1.417 1.00 0.00 H new ATOM 0 HD1 PHE A 64 3.378 -0.597 -1.769 1.00 0.00 H new ATOM 0 HD2 PHE A 64 3.066 -4.535 -3.316 1.00 0.00 H new ATOM 0 HE1 PHE A 64 0.956 -0.300 -1.989 1.00 0.00 H new ATOM 0 HE2 PHE A 64 0.633 -4.258 -3.553 1.00 0.00 H new ATOM 0 HZ PHE A 64 -0.429 -2.133 -2.887 1.00 0.00 H new ATOM 1165 N GLN A 65 6.964 -1.008 -1.761 1.00 0.00 N ATOM 1166 CA GLN A 65 7.663 0.016 -1.021 1.00 0.00 C ATOM 1167 C GLN A 65 8.391 0.968 -1.966 1.00 0.00 C ATOM 1168 O GLN A 65 8.560 2.149 -1.660 1.00 0.00 O ATOM 1169 CB GLN A 65 8.648 -0.646 -0.061 1.00 0.00 C ATOM 1170 CG GLN A 65 9.500 -1.703 -0.730 1.00 0.00 C ATOM 1171 CD GLN A 65 10.985 -1.410 -0.639 1.00 0.00 C ATOM 1172 OE1 GLN A 65 11.480 -0.455 -1.235 1.00 0.00 O ATOM 1173 NE2 GLN A 65 11.705 -2.238 0.110 1.00 0.00 N ATOM 0 H GLN A 65 7.104 -1.952 -1.401 1.00 0.00 H new ATOM 0 HA GLN A 65 6.942 0.603 -0.453 1.00 0.00 H new ATOM 0 HB2 GLN A 65 9.296 0.117 0.370 1.00 0.00 H new ATOM 0 HB3 GLN A 65 8.096 -1.099 0.763 1.00 0.00 H new ATOM 0 HG2 GLN A 65 9.297 -2.670 -0.270 1.00 0.00 H new ATOM 0 HG3 GLN A 65 9.214 -1.782 -1.779 1.00 0.00 H new ATOM 0 HE21 GLN A 65 11.253 -3.018 0.587 1.00 0.00 H new ATOM 0 HE22 GLN A 65 12.710 -2.094 0.208 1.00 0.00 H new ATOM 1182 N ARG A 66 8.817 0.454 -3.123 1.00 0.00 N ATOM 1183 CA ARG A 66 9.515 1.281 -4.099 1.00 0.00 C ATOM 1184 C ARG A 66 8.641 2.449 -4.557 1.00 0.00 C ATOM 1185 O ARG A 66 9.150 3.459 -5.043 1.00 0.00 O ATOM 1186 CB ARG A 66 9.945 0.442 -5.301 1.00 0.00 C ATOM 1187 CG ARG A 66 8.785 -0.068 -6.139 1.00 0.00 C ATOM 1188 CD ARG A 66 9.024 0.176 -7.618 1.00 0.00 C ATOM 1189 NE ARG A 66 8.651 -0.977 -8.433 1.00 0.00 N ATOM 1190 CZ ARG A 66 8.424 -0.917 -9.743 1.00 0.00 C ATOM 1191 NH1 ARG A 66 8.529 0.238 -10.389 1.00 0.00 N ATOM 1192 NH2 ARG A 66 8.089 -2.013 -10.408 1.00 0.00 N ATOM 0 H ARG A 66 8.691 -0.519 -3.401 1.00 0.00 H new ATOM 0 HA ARG A 66 10.404 1.689 -3.617 1.00 0.00 H new ATOM 0 HB2 ARG A 66 10.602 1.039 -5.933 1.00 0.00 H new ATOM 0 HB3 ARG A 66 10.528 -0.409 -4.949 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.647 -1.135 -5.962 1.00 0.00 H new ATOM 0 HG3 ARG A 66 7.865 0.428 -5.830 1.00 0.00 H new ATOM 0 HD2 ARG A 66 8.451 1.046 -7.938 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.076 0.409 -7.781 1.00 0.00 H new ATOM 0 HE ARG A 66 8.559 -1.882 -7.971 1.00 0.00 H new ATOM 0 HH11 ARG A 66 8.785 1.085 -9.881 1.00 0.00 H new ATOM 0 HH12 ARG A 66 8.354 0.279 -11.393 1.00 0.00 H new ATOM 0 HH21 ARG A 66 8.005 -2.902 -9.916 1.00 0.00 H new ATOM 0 HH22 ARG A 66 7.915 -1.967 -11.412 1.00 0.00 H new ATOM 1206 N GLU A 67 7.324 2.313 -4.397 1.00 0.00 N ATOM 1207 CA GLU A 67 6.397 3.366 -4.791 1.00 0.00 C ATOM 1208 C GLU A 67 6.230 4.381 -3.666 1.00 0.00 C ATOM 1209 O GLU A 67 6.015 5.568 -3.914 1.00 0.00 O ATOM 1210 CB GLU A 67 5.039 2.767 -5.160 1.00 0.00 C ATOM 1211 CG GLU A 67 4.977 2.236 -6.584 1.00 0.00 C ATOM 1212 CD GLU A 67 3.605 1.704 -6.945 1.00 0.00 C ATOM 1213 OE1 GLU A 67 3.219 0.643 -6.408 1.00 0.00 O ATOM 1214 OE2 GLU A 67 2.914 2.345 -7.765 1.00 0.00 O ATOM 0 H GLU A 67 6.880 1.486 -3.998 1.00 0.00 H new ATOM 0 HA GLU A 67 6.808 3.876 -5.663 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.808 1.957 -4.468 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.268 3.527 -5.030 1.00 0.00 H new ATOM 0 HG2 GLU A 67 5.249 3.032 -7.277 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.714 1.442 -6.705 1.00 0.00 H new ATOM 1221 N LYS A 68 6.331 3.904 -2.429 1.00 0.00 N ATOM 1222 CA LYS A 68 6.194 4.767 -1.260 1.00 0.00 C ATOM 1223 C LYS A 68 7.240 5.876 -1.261 1.00 0.00 C ATOM 1224 O LYS A 68 7.101 6.873 -0.553 1.00 0.00 O ATOM 1225 CB LYS A 68 6.305 3.941 0.022 1.00 0.00 C ATOM 1226 CG LYS A 68 4.960 3.536 0.602 1.00 0.00 C ATOM 1227 CD LYS A 68 5.061 2.244 1.397 1.00 0.00 C ATOM 1228 CE LYS A 68 3.853 1.352 1.163 1.00 0.00 C ATOM 1229 NZ LYS A 68 3.462 0.610 2.394 1.00 0.00 N ATOM 0 H LYS A 68 6.507 2.924 -2.210 1.00 0.00 H new ATOM 0 HA LYS A 68 5.210 5.233 -1.302 1.00 0.00 H new ATOM 0 HB2 LYS A 68 6.888 3.043 -0.183 1.00 0.00 H new ATOM 0 HB3 LYS A 68 6.855 4.515 0.768 1.00 0.00 H new ATOM 0 HG2 LYS A 68 4.586 4.332 1.246 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.237 3.412 -0.205 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.969 1.711 1.114 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.145 2.474 2.459 1.00 0.00 H new ATOM 0 HE2 LYS A 68 3.014 1.959 0.824 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.075 0.642 0.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 2.634 0.014 2.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.253 0.011 2.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 3.225 1.287 3.147 1.00 0.00 H new ATOM 1243 N GLN A 69 8.288 5.696 -2.052 1.00 0.00 N ATOM 1244 CA GLN A 69 9.358 6.676 -2.136 1.00 0.00 C ATOM 1245 C GLN A 69 9.009 7.794 -3.117 1.00 0.00 C ATOM 1246 O GLN A 69 9.353 8.954 -2.894 1.00 0.00 O ATOM 1247 CB GLN A 69 10.647 5.987 -2.568 1.00 0.00 C ATOM 1248 CG GLN A 69 11.902 6.624 -1.997 1.00 0.00 C ATOM 1249 CD GLN A 69 12.919 5.597 -1.535 1.00 0.00 C ATOM 1250 OE1 GLN A 69 13.361 5.616 -0.386 1.00 0.00 O ATOM 1251 NE2 GLN A 69 13.293 4.691 -2.432 1.00 0.00 N ATOM 0 H GLN A 69 8.419 4.877 -2.646 1.00 0.00 H new ATOM 0 HA GLN A 69 9.493 7.124 -1.151 1.00 0.00 H new ATOM 0 HB2 GLN A 69 10.610 4.942 -2.262 1.00 0.00 H new ATOM 0 HB3 GLN A 69 10.707 5.999 -3.656 1.00 0.00 H new ATOM 0 HG2 GLN A 69 12.356 7.265 -2.753 1.00 0.00 H new ATOM 0 HG3 GLN A 69 11.630 7.264 -1.158 1.00 0.00 H new ATOM 0 HE21 GLN A 69 12.901 4.713 -3.373 1.00 0.00 H new ATOM 0 HE22 GLN A 69 13.972 3.973 -2.179 1.00 0.00 H new ATOM 1260 N GLU A 70 8.331 7.436 -4.203 1.00 0.00 N ATOM 1261 CA GLU A 70 7.944 8.412 -5.218 1.00 0.00 C ATOM 1262 C GLU A 70 6.483 8.837 -5.068 1.00 0.00 C ATOM 1263 O GLU A 70 6.047 9.805 -5.691 1.00 0.00 O ATOM 1264 CB GLU A 70 8.176 7.837 -6.616 1.00 0.00 C ATOM 1265 CG GLU A 70 8.077 8.872 -7.725 1.00 0.00 C ATOM 1266 CD GLU A 70 7.288 8.373 -8.920 1.00 0.00 C ATOM 1267 OE1 GLU A 70 6.379 7.539 -8.725 1.00 0.00 O ATOM 1268 OE2 GLU A 70 7.578 8.818 -10.051 1.00 0.00 O ATOM 0 H GLU A 70 8.038 6.480 -4.403 1.00 0.00 H new ATOM 0 HA GLU A 70 8.566 9.296 -5.078 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.162 7.374 -6.650 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.447 7.048 -6.801 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.606 9.774 -7.334 1.00 0.00 H new ATOM 0 HG3 GLU A 70 9.080 9.151 -8.047 1.00 0.00 H new ATOM 1275 N PHE A 71 5.728 8.108 -4.250 1.00 0.00 N ATOM 1276 CA PHE A 71 4.316 8.419 -4.039 1.00 0.00 C ATOM 1277 C PHE A 71 4.111 9.252 -2.777 1.00 0.00 C ATOM 1278 O PHE A 71 3.221 10.099 -2.723 1.00 0.00 O ATOM 1279 CB PHE A 71 3.498 7.129 -3.948 1.00 0.00 C ATOM 1280 CG PHE A 71 2.141 7.231 -4.584 1.00 0.00 C ATOM 1281 CD1 PHE A 71 2.014 7.427 -5.950 1.00 0.00 C ATOM 1282 CD2 PHE A 71 0.993 7.128 -3.815 1.00 0.00 C ATOM 1283 CE1 PHE A 71 0.767 7.518 -6.538 1.00 0.00 C ATOM 1284 CE2 PHE A 71 -0.258 7.219 -4.399 1.00 0.00 C ATOM 1285 CZ PHE A 71 -0.370 7.413 -5.761 1.00 0.00 C ATOM 0 H PHE A 71 6.067 7.302 -3.725 1.00 0.00 H new ATOM 0 HA PHE A 71 3.974 9.005 -4.892 1.00 0.00 H new ATOM 0 HB2 PHE A 71 4.054 6.322 -4.425 1.00 0.00 H new ATOM 0 HB3 PHE A 71 3.379 6.857 -2.899 1.00 0.00 H new ATOM 0 HD1 PHE A 71 2.900 7.510 -6.562 1.00 0.00 H new ATOM 0 HD2 PHE A 71 1.076 6.975 -2.749 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.681 7.671 -7.604 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -1.146 7.138 -3.790 1.00 0.00 H new ATOM 0 HZ PHE A 71 -1.346 7.483 -6.219 1.00 0.00 H new ATOM 1295 N GLU A 72 4.934 9.003 -1.762 1.00 0.00 N ATOM 1296 CA GLU A 72 4.831 9.731 -0.500 1.00 0.00 C ATOM 1297 C GLU A 72 5.868 10.850 -0.405 1.00 0.00 C ATOM 1298 O GLU A 72 5.928 11.561 0.599 1.00 0.00 O ATOM 1299 CB GLU A 72 4.995 8.771 0.678 1.00 0.00 C ATOM 1300 CG GLU A 72 4.789 9.431 2.031 1.00 0.00 C ATOM 1301 CD GLU A 72 4.193 8.486 3.056 1.00 0.00 C ATOM 1302 OE1 GLU A 72 4.848 7.475 3.383 1.00 0.00 O ATOM 1303 OE2 GLU A 72 3.070 8.758 3.531 1.00 0.00 O ATOM 0 H GLU A 72 5.677 8.305 -1.788 1.00 0.00 H new ATOM 0 HA GLU A 72 3.842 10.187 -0.464 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.284 7.952 0.570 1.00 0.00 H new ATOM 0 HB3 GLU A 72 5.993 8.334 0.644 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.745 9.804 2.399 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.134 10.294 1.914 1.00 0.00 H new ATOM 1310 N ARG A 73 6.685 11.004 -1.444 1.00 0.00 N ATOM 1311 CA ARG A 73 7.716 12.040 -1.457 1.00 0.00 C ATOM 1312 C ARG A 73 7.129 13.411 -1.111 1.00 0.00 C ATOM 1313 O ARG A 73 7.107 13.805 0.055 1.00 0.00 O ATOM 1314 CB ARG A 73 8.409 12.079 -2.824 1.00 0.00 C ATOM 1315 CG ARG A 73 9.453 13.178 -2.954 1.00 0.00 C ATOM 1316 CD ARG A 73 10.854 12.653 -2.692 1.00 0.00 C ATOM 1317 NE ARG A 73 11.228 12.768 -1.282 1.00 0.00 N ATOM 1318 CZ ARG A 73 11.051 11.802 -0.382 1.00 0.00 C ATOM 1319 NH1 ARG A 73 10.503 10.645 -0.731 1.00 0.00 N ATOM 1320 NH2 ARG A 73 11.423 11.997 0.876 1.00 0.00 N ATOM 0 H ARG A 73 6.654 10.428 -2.285 1.00 0.00 H new ATOM 0 HA ARG A 73 8.455 11.794 -0.695 1.00 0.00 H new ATOM 0 HB2 ARG A 73 8.885 11.116 -3.007 1.00 0.00 H new ATOM 0 HB3 ARG A 73 7.655 12.214 -3.599 1.00 0.00 H new ATOM 0 HG2 ARG A 73 9.406 13.608 -3.954 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.227 13.980 -2.251 1.00 0.00 H new ATOM 0 HD2 ARG A 73 10.913 11.609 -2.999 1.00 0.00 H new ATOM 0 HD3 ARG A 73 11.568 13.205 -3.303 1.00 0.00 H new ATOM 0 HE ARG A 73 11.650 13.642 -0.969 1.00 0.00 H new ATOM 0 HH11 ARG A 73 10.213 10.489 -1.696 1.00 0.00 H new ATOM 0 HH12 ARG A 73 10.372 9.912 -0.034 1.00 0.00 H new ATOM 0 HH21 ARG A 73 11.843 12.885 1.152 1.00 0.00 H new ATOM 0 HH22 ARG A 73 11.289 11.259 1.568 1.00 0.00 H new ATOM 1334 N ASN A 74 6.658 14.137 -2.124 1.00 0.00 N ATOM 1335 CA ASN A 74 6.077 15.460 -1.914 1.00 0.00 C ATOM 1336 C ASN A 74 4.550 15.406 -1.911 1.00 0.00 C ATOM 1337 O ASN A 74 3.888 16.432 -1.762 1.00 0.00 O ATOM 1338 CB ASN A 74 6.557 16.424 -3.000 1.00 0.00 C ATOM 1339 CG ASN A 74 7.838 17.140 -2.616 1.00 0.00 C ATOM 1340 OD1 ASN A 74 8.115 17.348 -1.435 1.00 0.00 O ATOM 1341 ND2 ASN A 74 8.624 17.523 -3.615 1.00 0.00 N ATOM 0 H ASN A 74 6.668 13.831 -3.097 1.00 0.00 H new ATOM 0 HA ASN A 74 6.406 15.816 -0.938 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.717 15.872 -3.926 1.00 0.00 H new ATOM 0 HB3 ASN A 74 5.778 17.160 -3.198 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.498 18.011 -3.418 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.354 17.329 -4.579 1.00 0.00 H new ATOM 1348 N LEU A 75 3.994 14.211 -2.089 1.00 0.00 N ATOM 1349 CA LEU A 75 2.547 14.039 -2.120 1.00 0.00 C ATOM 1350 C LEU A 75 1.944 14.104 -0.718 1.00 0.00 C ATOM 1351 O LEU A 75 1.170 15.007 -0.408 1.00 0.00 O ATOM 1352 CB LEU A 75 2.191 12.703 -2.775 1.00 0.00 C ATOM 1353 CG LEU A 75 0.830 12.665 -3.470 1.00 0.00 C ATOM 1354 CD1 LEU A 75 -0.294 12.748 -2.447 1.00 0.00 C ATOM 1355 CD2 LEU A 75 0.718 13.795 -4.484 1.00 0.00 C ATOM 0 H LEU A 75 4.524 13.349 -2.214 1.00 0.00 H new ATOM 0 HA LEU A 75 2.128 14.857 -2.706 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.962 12.457 -3.505 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.214 11.924 -2.013 1.00 0.00 H new ATOM 0 HG LEU A 75 0.740 11.718 -4.001 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.255 12.720 -2.960 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.224 11.904 -1.760 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.209 13.679 -1.887 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.257 13.753 -4.969 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.829 14.753 -3.975 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.502 13.690 -5.234 1.00 0.00 H new ATOM 1367 N ALA A 76 2.291 13.129 0.118 1.00 0.00 N ATOM 1368 CA ALA A 76 1.770 13.072 1.480 1.00 0.00 C ATOM 1369 C ALA A 76 2.462 14.079 2.394 1.00 0.00 C ATOM 1370 O ALA A 76 1.804 14.830 3.115 1.00 0.00 O ATOM 1371 CB ALA A 76 1.912 11.661 2.036 1.00 0.00 C ATOM 0 H ALA A 76 2.929 12.370 -0.123 1.00 0.00 H new ATOM 0 HA ALA A 76 0.714 13.338 1.444 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.520 11.629 3.053 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.353 10.965 1.410 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.964 11.377 2.044 1.00 0.00 H new ATOM 1377 N ARG A 77 3.791 14.086 2.369 1.00 0.00 N ATOM 1378 CA ARG A 77 4.571 14.997 3.203 1.00 0.00 C ATOM 1379 C ARG A 77 4.110 16.444 3.037 1.00 0.00 C ATOM 1380 O ARG A 77 4.303 17.272 3.926 1.00 0.00 O ATOM 1381 CB ARG A 77 6.058 14.885 2.864 1.00 0.00 C ATOM 1382 CG ARG A 77 6.737 13.683 3.497 1.00 0.00 C ATOM 1383 CD ARG A 77 8.251 13.825 3.476 1.00 0.00 C ATOM 1384 NE ARG A 77 8.897 12.952 4.454 1.00 0.00 N ATOM 1385 CZ ARG A 77 10.207 12.945 4.689 1.00 0.00 C ATOM 1386 NH1 ARG A 77 11.013 13.764 4.024 1.00 0.00 N ATOM 1387 NH2 ARG A 77 10.713 12.119 5.596 1.00 0.00 N ATOM 0 H ARG A 77 4.352 13.471 1.780 1.00 0.00 H new ATOM 0 HA ARG A 77 4.413 14.708 4.242 1.00 0.00 H new ATOM 0 HB2 ARG A 77 6.172 14.828 1.781 1.00 0.00 H new ATOM 0 HB3 ARG A 77 6.566 15.792 3.191 1.00 0.00 H new ATOM 0 HG2 ARG A 77 6.395 13.570 4.526 1.00 0.00 H new ATOM 0 HG3 ARG A 77 6.448 12.777 2.964 1.00 0.00 H new ATOM 0 HD2 ARG A 77 8.623 13.590 2.479 1.00 0.00 H new ATOM 0 HD3 ARG A 77 8.521 14.861 3.681 1.00 0.00 H new ATOM 0 HE ARG A 77 8.310 12.311 4.987 1.00 0.00 H new ATOM 0 HH11 ARG A 77 10.629 14.404 3.328 1.00 0.00 H new ATOM 0 HH12 ARG A 77 12.016 13.754 4.209 1.00 0.00 H new ATOM 0 HH21 ARG A 77 10.098 11.490 6.112 1.00 0.00 H new ATOM 0 HH22 ARG A 77 11.717 12.113 5.777 1.00 0.00 H new ATOM 1401 N PHE A 78 3.502 16.745 1.892 1.00 0.00 N ATOM 1402 CA PHE A 78 3.020 18.095 1.611 1.00 0.00 C ATOM 1403 C PHE A 78 2.196 18.650 2.772 1.00 0.00 C ATOM 1404 O PHE A 78 2.176 19.857 3.007 1.00 0.00 O ATOM 1405 CB PHE A 78 2.179 18.102 0.333 1.00 0.00 C ATOM 1406 CG PHE A 78 2.357 19.343 -0.495 1.00 0.00 C ATOM 1407 CD1 PHE A 78 3.622 19.840 -0.761 1.00 0.00 C ATOM 1408 CD2 PHE A 78 1.256 20.013 -1.006 1.00 0.00 C ATOM 1409 CE1 PHE A 78 3.789 20.980 -1.522 1.00 0.00 C ATOM 1410 CE2 PHE A 78 1.417 21.154 -1.768 1.00 0.00 C ATOM 1411 CZ PHE A 78 2.684 21.640 -2.026 1.00 0.00 C ATOM 0 H PHE A 78 3.331 16.073 1.144 1.00 0.00 H new ATOM 0 HA PHE A 78 3.892 18.735 1.477 1.00 0.00 H new ATOM 0 HB2 PHE A 78 2.441 17.232 -0.269 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.127 18.000 0.599 1.00 0.00 H new ATOM 0 HD1 PHE A 78 4.489 19.329 -0.368 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.263 19.639 -0.806 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.781 21.355 -1.723 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.552 21.666 -2.162 1.00 0.00 H new ATOM 0 HZ PHE A 78 2.811 22.533 -2.620 1.00 0.00 H new ATOM 1421 N ARG A 79 1.515 17.762 3.492 1.00 0.00 N ATOM 1422 CA ARG A 79 0.689 18.175 4.619 1.00 0.00 C ATOM 1423 C ARG A 79 1.551 18.705 5.769 1.00 0.00 C ATOM 1424 O ARG A 79 1.828 19.902 5.841 1.00 0.00 O ATOM 1425 CB ARG A 79 -0.188 17.009 5.092 1.00 0.00 C ATOM 1426 CG ARG A 79 -0.995 17.315 6.344 1.00 0.00 C ATOM 1427 CD ARG A 79 -1.998 18.432 6.101 1.00 0.00 C ATOM 1428 NE ARG A 79 -2.300 19.171 7.324 1.00 0.00 N ATOM 1429 CZ ARG A 79 -3.091 18.713 8.292 1.00 0.00 C ATOM 1430 NH1 ARG A 79 -3.659 17.519 8.184 1.00 0.00 N ATOM 1431 NH2 ARG A 79 -3.314 19.451 9.371 1.00 0.00 N ATOM 0 H ARG A 79 1.520 16.757 3.315 1.00 0.00 H new ATOM 0 HA ARG A 79 0.041 18.986 4.287 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -0.872 16.732 4.289 1.00 0.00 H new ATOM 0 HB3 ARG A 79 0.447 16.144 5.283 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -1.521 16.417 6.668 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -0.321 17.599 7.152 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -1.603 19.117 5.351 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -2.918 18.011 5.695 1.00 0.00 H new ATOM 0 HE ARG A 79 -1.880 20.093 7.444 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -3.491 16.947 7.356 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -4.264 17.173 8.929 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -2.880 20.370 9.459 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -3.920 19.100 10.113 1.00 0.00 H new ATOM 1445 N GLU A 80 1.969 17.815 6.666 1.00 0.00 N ATOM 1446 CA GLU A 80 2.792 18.210 7.805 1.00 0.00 C ATOM 1447 C GLU A 80 4.264 17.897 7.558 1.00 0.00 C ATOM 1448 O GLU A 80 5.146 18.666 7.942 1.00 0.00 O ATOM 1449 CB GLU A 80 2.313 17.503 9.075 1.00 0.00 C ATOM 1450 CG GLU A 80 2.115 18.441 10.255 1.00 0.00 C ATOM 1451 CD GLU A 80 1.027 17.970 11.199 1.00 0.00 C ATOM 1452 OE1 GLU A 80 1.220 16.922 11.853 1.00 0.00 O ATOM 1453 OE2 GLU A 80 -0.020 18.646 11.286 1.00 0.00 O ATOM 0 H GLU A 80 1.752 16.819 6.626 1.00 0.00 H new ATOM 0 HA GLU A 80 2.690 19.288 7.934 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.373 16.993 8.865 1.00 0.00 H new ATOM 0 HB3 GLU A 80 3.037 16.736 9.349 1.00 0.00 H new ATOM 0 HG2 GLU A 80 3.053 18.531 10.804 1.00 0.00 H new ATOM 0 HG3 GLU A 80 1.865 19.435 9.886 1.00 0.00 H new ATOM 1460 N ASP A 81 4.526 16.761 6.917 1.00 0.00 N ATOM 1461 CA ASP A 81 5.892 16.343 6.622 1.00 0.00 C ATOM 1462 C ASP A 81 6.631 15.976 7.906 1.00 0.00 C ATOM 1463 O ASP A 81 7.845 16.156 8.010 1.00 0.00 O ATOM 1464 CB ASP A 81 6.649 17.453 5.886 1.00 0.00 C ATOM 1465 CG ASP A 81 7.810 16.919 5.071 1.00 0.00 C ATOM 1466 OD1 ASP A 81 8.551 16.057 5.587 1.00 0.00 O ATOM 1467 OD2 ASP A 81 7.979 17.364 3.916 1.00 0.00 O ATOM 0 H ASP A 81 3.808 16.113 6.592 1.00 0.00 H new ATOM 0 HA ASP A 81 5.844 15.464 5.980 1.00 0.00 H new ATOM 0 HB2 ASP A 81 5.961 17.984 5.228 1.00 0.00 H new ATOM 0 HB3 ASP A 81 7.020 18.178 6.611 1.00 0.00 H new ATOM 1472 N HIS A 82 5.889 15.463 8.883 1.00 0.00 N ATOM 1473 CA HIS A 82 6.472 15.073 10.161 1.00 0.00 C ATOM 1474 C HIS A 82 6.573 13.551 10.275 1.00 0.00 C ATOM 1475 O HIS A 82 5.578 12.845 10.110 1.00 0.00 O ATOM 1476 CB HIS A 82 5.633 15.630 11.315 1.00 0.00 C ATOM 1477 CG HIS A 82 6.419 16.463 12.279 1.00 0.00 C ATOM 1478 ND1 HIS A 82 6.344 16.304 13.646 1.00 0.00 N ATOM 1479 CD2 HIS A 82 7.300 17.469 12.067 1.00 0.00 C ATOM 1480 CE1 HIS A 82 7.143 17.177 14.234 1.00 0.00 C ATOM 1481 NE2 HIS A 82 7.735 17.895 13.299 1.00 0.00 N ATOM 0 H HIS A 82 4.883 15.308 8.813 1.00 0.00 H new ATOM 0 HA HIS A 82 7.478 15.488 10.217 1.00 0.00 H new ATOM 0 HB2 HIS A 82 4.821 16.231 10.906 1.00 0.00 H new ATOM 0 HB3 HIS A 82 5.175 14.800 11.854 1.00 0.00 H new ATOM 0 HD2 HIS A 82 7.604 17.863 11.109 1.00 0.00 H new ATOM 0 HE1 HIS A 82 7.287 17.284 15.299 1.00 0.00 H new ATOM 0 HE2 HIS A 82 8.407 18.645 13.464 1.00 0.00 H new ATOM 1490 N PRO A 83 7.777 13.024 10.560 1.00 0.00 N ATOM 1491 CA PRO A 83 7.995 11.583 10.693 1.00 0.00 C ATOM 1492 C PRO A 83 7.620 11.066 12.079 1.00 0.00 C ATOM 1493 O PRO A 83 8.424 10.415 12.746 1.00 0.00 O ATOM 1494 CB PRO A 83 9.496 11.448 10.458 1.00 0.00 C ATOM 1495 CG PRO A 83 10.069 12.717 10.990 1.00 0.00 C ATOM 1496 CD PRO A 83 9.025 13.785 10.772 1.00 0.00 C ATOM 0 HA PRO A 83 7.382 11.003 10.003 1.00 0.00 H new ATOM 0 HB2 PRO A 83 9.903 10.580 10.976 1.00 0.00 H new ATOM 0 HB3 PRO A 83 9.723 11.322 9.399 1.00 0.00 H new ATOM 0 HG2 PRO A 83 10.309 12.620 12.049 1.00 0.00 H new ATOM 0 HG3 PRO A 83 10.996 12.970 10.475 1.00 0.00 H new ATOM 0 HD2 PRO A 83 8.947 14.449 11.633 1.00 0.00 H new ATOM 0 HD3 PRO A 83 9.264 14.408 9.910 1.00 0.00 H new ATOM 1504 N ASP A 84 6.397 11.357 12.506 1.00 0.00 N ATOM 1505 CA ASP A 84 5.921 10.920 13.813 1.00 0.00 C ATOM 1506 C ASP A 84 4.428 10.606 13.773 1.00 0.00 C ATOM 1507 O ASP A 84 4.002 9.520 14.165 1.00 0.00 O ATOM 1508 CB ASP A 84 6.205 11.995 14.866 1.00 0.00 C ATOM 1509 CG ASP A 84 7.259 11.558 15.866 1.00 0.00 C ATOM 1510 OD1 ASP A 84 6.925 10.769 16.774 1.00 0.00 O ATOM 1511 OD2 ASP A 84 8.418 12.007 15.741 1.00 0.00 O ATOM 0 H ASP A 84 5.717 11.893 11.967 1.00 0.00 H new ATOM 0 HA ASP A 84 6.455 10.009 14.082 1.00 0.00 H new ATOM 0 HB2 ASP A 84 6.534 12.908 14.370 1.00 0.00 H new ATOM 0 HB3 ASP A 84 5.283 12.235 15.395 1.00 0.00 H new ATOM 1516 N LEU A 85 3.638 11.563 13.295 1.00 0.00 N ATOM 1517 CA LEU A 85 2.193 11.385 13.205 1.00 0.00 C ATOM 1518 C LEU A 85 1.848 10.182 12.332 1.00 0.00 C ATOM 1519 O LEU A 85 2.391 10.018 11.240 1.00 0.00 O ATOM 1520 CB LEU A 85 1.536 12.649 12.641 1.00 0.00 C ATOM 1521 CG LEU A 85 0.381 13.205 13.476 1.00 0.00 C ATOM 1522 CD1 LEU A 85 0.884 14.262 14.445 1.00 0.00 C ATOM 1523 CD2 LEU A 85 -0.703 13.777 12.575 1.00 0.00 C ATOM 0 H LEU A 85 3.974 12.468 12.965 1.00 0.00 H new ATOM 0 HA LEU A 85 1.809 11.204 14.209 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.298 13.422 12.541 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.168 12.433 11.638 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.050 12.387 14.054 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.049 14.646 15.030 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.623 13.820 15.114 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.342 15.079 13.887 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.516 14.168 13.187 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.286 14.582 11.969 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.085 12.992 11.922 1.00 0.00 H new ATOM 1535 N ILE A 86 0.946 9.337 12.825 1.00 0.00 N ATOM 1536 CA ILE A 86 0.533 8.144 12.093 1.00 0.00 C ATOM 1537 C ILE A 86 0.126 8.487 10.655 1.00 0.00 C ATOM 1538 O ILE A 86 0.877 8.221 9.715 1.00 0.00 O ATOM 1539 CB ILE A 86 -0.618 7.400 12.820 1.00 0.00 C ATOM 1540 CG1 ILE A 86 -1.297 6.392 11.887 1.00 0.00 C ATOM 1541 CG2 ILE A 86 -1.639 8.381 13.386 1.00 0.00 C ATOM 1542 CD1 ILE A 86 -1.689 5.102 12.575 1.00 0.00 C ATOM 0 H ILE A 86 0.488 9.457 13.728 1.00 0.00 H new ATOM 0 HA ILE A 86 1.394 7.477 12.055 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.180 6.851 13.654 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.187 6.850 11.456 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.624 6.164 11.060 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.433 7.830 13.889 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.150 9.044 14.099 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -2.065 8.971 12.575 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.164 4.436 11.855 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.799 4.622 12.982 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.386 5.319 13.384 1.00 0.00 H new ATOM 1554 N GLN A 87 -1.058 9.077 10.485 1.00 0.00 N ATOM 1555 CA GLN A 87 -1.545 9.451 9.158 1.00 0.00 C ATOM 1556 C GLN A 87 -3.015 9.858 9.212 1.00 0.00 C ATOM 1557 O GLN A 87 -3.391 10.924 8.724 1.00 0.00 O ATOM 1558 CB GLN A 87 -1.362 8.295 8.169 1.00 0.00 C ATOM 1559 CG GLN A 87 -0.330 8.578 7.090 1.00 0.00 C ATOM 1560 CD GLN A 87 0.325 7.316 6.563 1.00 0.00 C ATOM 1561 OE1 GLN A 87 0.266 7.024 5.369 1.00 0.00 O ATOM 1562 NE2 GLN A 87 0.954 6.560 7.455 1.00 0.00 N ATOM 0 H GLN A 87 -1.695 9.305 11.248 1.00 0.00 H new ATOM 0 HA GLN A 87 -0.959 10.304 8.817 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -1.066 7.401 8.718 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -2.320 8.077 7.696 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -0.808 9.106 6.265 1.00 0.00 H new ATOM 0 HG3 GLN A 87 0.437 9.241 7.491 1.00 0.00 H new ATOM 0 HE21 GLN A 87 0.978 6.841 8.435 1.00 0.00 H new ATOM 0 HE22 GLN A 87 1.413 5.698 7.160 1.00 0.00 H new ATOM 1571 N ASN A 88 -3.844 9.002 9.802 1.00 0.00 N ATOM 1572 CA ASN A 88 -5.274 9.275 9.909 1.00 0.00 C ATOM 1573 C ASN A 88 -5.766 9.113 11.347 1.00 0.00 C ATOM 1574 O ASN A 88 -6.599 9.888 11.816 1.00 0.00 O ATOM 1575 CB ASN A 88 -6.060 8.345 8.982 1.00 0.00 C ATOM 1576 CG ASN A 88 -6.842 9.105 7.930 1.00 0.00 C ATOM 1577 OD1 ASN A 88 -7.055 10.312 8.047 1.00 0.00 O ATOM 1578 ND2 ASN A 88 -7.277 8.400 6.892 1.00 0.00 N ATOM 0 H ASN A 88 -3.551 8.115 10.213 1.00 0.00 H new ATOM 0 HA ASN A 88 -5.440 10.310 9.608 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -5.371 7.657 8.492 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -6.746 7.740 9.575 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -7.810 8.857 6.152 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -7.078 7.401 6.834 1.00 0.00 H new ATOM 1585 N ALA A 89 -5.249 8.100 12.038 1.00 0.00 N ATOM 1586 CA ALA A 89 -5.640 7.833 13.421 1.00 0.00 C ATOM 1587 C ALA A 89 -5.656 9.114 14.253 1.00 0.00 C ATOM 1588 O ALA A 89 -4.612 9.583 14.710 1.00 0.00 O ATOM 1589 CB ALA A 89 -4.704 6.807 14.043 1.00 0.00 C ATOM 0 H ALA A 89 -4.558 7.450 11.663 1.00 0.00 H new ATOM 0 HA ALA A 89 -6.653 7.430 13.413 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -5.006 6.617 15.073 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -4.751 5.879 13.474 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.683 7.190 14.029 1.00 0.00 H new ATOM 1595 N LYS A 90 -6.846 9.673 14.442 1.00 0.00 N ATOM 1596 CA LYS A 90 -7.001 10.900 15.217 1.00 0.00 C ATOM 1597 C LYS A 90 -7.116 10.594 16.707 1.00 0.00 C ATOM 1598 O LYS A 90 -7.888 9.724 17.114 1.00 0.00 O ATOM 1599 CB LYS A 90 -8.235 11.671 14.746 1.00 0.00 C ATOM 1600 CG LYS A 90 -9.483 10.811 14.626 1.00 0.00 C ATOM 1601 CD LYS A 90 -10.733 11.583 15.012 1.00 0.00 C ATOM 1602 CE LYS A 90 -11.984 10.962 14.410 1.00 0.00 C ATOM 1603 NZ LYS A 90 -13.108 10.918 15.385 1.00 0.00 N ATOM 0 H LYS A 90 -7.718 9.297 14.070 1.00 0.00 H new ATOM 0 HA LYS A 90 -6.114 11.514 15.060 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -8.431 12.486 15.443 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.022 12.124 13.778 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -9.579 10.450 13.602 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -9.384 9.934 15.266 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -10.825 11.608 16.098 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -10.641 12.616 14.676 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -12.287 11.534 13.533 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -11.759 9.951 14.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -13.941 10.488 14.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -12.829 10.351 16.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -13.340 11.884 15.691 1.00 0.00 H new ATOM 1617 N LYS A 91 -6.343 11.313 17.514 1.00 0.00 N ATOM 1618 CA LYS A 91 -6.359 11.118 18.959 1.00 0.00 C ATOM 1619 C LYS A 91 -5.982 9.685 19.322 1.00 0.00 C ATOM 1620 O LYS A 91 -6.162 9.306 20.497 1.00 0.00 O ATOM 1621 CB LYS A 91 -7.742 11.458 19.527 1.00 0.00 C ATOM 1622 CG LYS A 91 -7.719 12.576 20.556 1.00 0.00 C ATOM 1623 CD LYS A 91 -9.124 12.995 20.956 1.00 0.00 C ATOM 1624 CE LYS A 91 -9.185 14.470 21.317 1.00 0.00 C ATOM 1625 NZ LYS A 91 -9.706 15.298 20.194 1.00 0.00 N ATOM 0 H LYS A 91 -5.698 12.035 17.192 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.620 11.788 19.398 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -8.402 11.743 18.708 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.168 10.564 19.983 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -7.171 12.248 21.439 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -7.184 13.435 20.150 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -9.813 12.792 20.136 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.455 12.398 21.806 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.822 14.603 22.191 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.189 14.817 21.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -9.731 16.297 20.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -9.085 15.192 19.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -10.666 14.984 19.948 1.00 0.00 H new TER 1639 LYS A 91