USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 628 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 22 MET CE :methyl -144:sc= -6.96! (180deg=-10.9!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0.673 K(o=0.67,f=-3.1!) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 165:sc= -0.368 (180deg=-0.682) USER MOD Single : A 33 GLN :FLIP amide:sc= -4.2 F(o=-5.5!,f=-4.2) USER MOD Single : A 36 HIS :FLIP no HD1:sc= -2.02! C(o=-3.6!,f=-2!) USER MOD Single : A 46 HIS : no HE2:sc= -2.65! C(o=-2.6!,f=-4.2!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN :FLIP amide:sc= -9.3! C(o=-13!,f=-9.3!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 152:sc= -0.0139 (180deg=-0.267) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.567 K(o=-0.57,f=-2.6) USER MOD Single : A 82 ASN : amide:sc= 0.0609 X(o=0.061,f=-0.028) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot -15:sc= -2.76! USER MOD ----------------------------------------------------------------- ATOM 25 N GLU A 19 2.093 12.245 1.427 1.00 0.00 N ATOM 26 CA GLU A 19 1.867 11.929 -0.014 1.00 0.00 C ATOM 27 C GLU A 19 0.556 11.158 -0.188 1.00 0.00 C ATOM 28 O GLU A 19 -0.109 11.262 -1.199 1.00 0.00 O ATOM 29 CB GLU A 19 3.057 11.057 -0.412 1.00 0.00 C ATOM 30 CG GLU A 19 4.170 11.939 -0.984 1.00 0.00 C ATOM 31 CD GLU A 19 3.846 12.293 -2.436 1.00 0.00 C ATOM 32 OE1 GLU A 19 2.728 12.040 -2.852 1.00 0.00 O ATOM 33 OE2 GLU A 19 4.723 12.812 -3.108 1.00 0.00 O ATOM 0 HA GLU A 19 1.790 12.826 -0.629 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.424 10.507 0.455 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.748 10.318 -1.151 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.269 12.848 -0.391 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.126 11.417 -0.930 1.00 0.00 H new ATOM 40 N PHE A 20 0.182 10.385 0.793 1.00 0.00 N ATOM 41 CA PHE A 20 -1.081 9.608 0.692 1.00 0.00 C ATOM 42 C PHE A 20 -2.104 10.137 1.703 1.00 0.00 C ATOM 43 O PHE A 20 -1.810 11.014 2.492 1.00 0.00 O ATOM 44 CB PHE A 20 -0.666 8.171 1.000 1.00 0.00 C ATOM 45 CG PHE A 20 0.326 7.724 -0.055 1.00 0.00 C ATOM 46 CD1 PHE A 20 1.692 8.025 0.084 1.00 0.00 C ATOM 47 CD2 PHE A 20 -0.123 7.018 -1.181 1.00 0.00 C ATOM 48 CE1 PHE A 20 2.602 7.618 -0.901 1.00 0.00 C ATOM 49 CE2 PHE A 20 0.789 6.614 -2.162 1.00 0.00 C ATOM 50 CZ PHE A 20 2.150 6.912 -2.022 1.00 0.00 C ATOM 0 H PHE A 20 0.700 10.259 1.663 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.558 9.685 -0.285 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -0.218 8.110 1.992 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.538 7.517 1.003 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.040 8.570 0.949 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -1.172 6.786 -1.291 1.00 0.00 H new ATOM 0 HE1 PHE A 20 3.652 7.849 -0.795 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.443 6.071 -3.029 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.852 6.597 -2.780 1.00 0.00 H new ATOM 60 N ARG A 21 -3.312 9.640 1.668 1.00 0.00 N ATOM 61 CA ARG A 21 -4.354 10.149 2.609 1.00 0.00 C ATOM 62 C ARG A 21 -4.278 9.470 3.980 1.00 0.00 C ATOM 63 O ARG A 21 -4.195 10.123 5.001 1.00 0.00 O ATOM 64 CB ARG A 21 -5.685 9.811 1.944 1.00 0.00 C ATOM 65 CG ARG A 21 -5.994 10.853 0.875 1.00 0.00 C ATOM 66 CD ARG A 21 -5.580 10.304 -0.485 1.00 0.00 C ATOM 67 NE ARG A 21 -5.928 11.381 -1.454 1.00 0.00 N ATOM 68 CZ ARG A 21 -6.264 11.078 -2.678 1.00 0.00 C ATOM 69 NH1 ARG A 21 -7.441 10.571 -2.925 1.00 0.00 N ATOM 70 NH2 ARG A 21 -5.426 11.287 -3.655 1.00 0.00 N ATOM 0 H ARG A 21 -3.622 8.906 1.031 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.221 11.216 2.790 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -5.639 8.818 1.497 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.481 9.790 2.688 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -7.058 11.091 0.877 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -5.460 11.779 1.086 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.514 10.077 -0.512 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -6.109 9.379 -0.715 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.904 12.357 -1.160 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -8.098 10.412 -2.161 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -7.704 10.334 -3.882 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -4.508 11.687 -3.462 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -5.689 11.050 -4.612 1.00 0.00 H new ATOM 84 N MET A 22 -4.341 8.169 4.015 1.00 0.00 N ATOM 85 CA MET A 22 -4.314 7.458 5.327 1.00 0.00 C ATOM 86 C MET A 22 -2.888 7.349 5.867 1.00 0.00 C ATOM 87 O MET A 22 -1.923 7.482 5.143 1.00 0.00 O ATOM 88 CB MET A 22 -4.881 6.071 5.033 1.00 0.00 C ATOM 89 CG MET A 22 -6.206 6.215 4.286 1.00 0.00 C ATOM 90 SD MET A 22 -6.928 4.578 4.021 1.00 0.00 S ATOM 91 CE MET A 22 -7.103 4.696 2.223 1.00 0.00 C ATOM 0 H MET A 22 -4.410 7.566 3.195 1.00 0.00 H new ATOM 0 HA MET A 22 -4.888 7.990 6.086 1.00 0.00 H new ATOM 0 HB2 MET A 22 -4.174 5.496 4.435 1.00 0.00 H new ATOM 0 HB3 MET A 22 -5.032 5.523 5.963 1.00 0.00 H new ATOM 0 HG2 MET A 22 -6.893 6.839 4.858 1.00 0.00 H new ATOM 0 HG3 MET A 22 -6.045 6.712 3.330 1.00 0.00 H new ATOM 0 HE1 MET A 22 -8.016 4.187 1.912 1.00 0.00 H new ATOM 0 HE2 MET A 22 -7.154 5.745 1.930 1.00 0.00 H new ATOM 0 HE3 MET A 22 -6.244 4.227 1.742 1.00 0.00 H new ATOM 101 N GLU A 23 -2.754 7.102 7.144 1.00 0.00 N ATOM 102 CA GLU A 23 -1.396 6.978 7.737 1.00 0.00 C ATOM 103 C GLU A 23 -0.801 5.614 7.389 1.00 0.00 C ATOM 104 O GLU A 23 0.369 5.371 7.595 1.00 0.00 O ATOM 105 CB GLU A 23 -1.599 7.106 9.246 1.00 0.00 C ATOM 106 CG GLU A 23 -0.345 6.612 9.972 1.00 0.00 C ATOM 107 CD GLU A 23 -0.291 7.221 11.374 1.00 0.00 C ATOM 108 OE1 GLU A 23 -0.176 8.432 11.467 1.00 0.00 O ATOM 109 OE2 GLU A 23 -0.366 6.467 12.330 1.00 0.00 O ATOM 0 H GLU A 23 -3.527 6.981 7.798 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.710 7.736 7.360 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.800 8.144 9.510 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.466 6.524 9.558 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.355 5.524 10.037 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.546 6.889 9.409 1.00 0.00 H new ATOM 116 N LYS A 24 -1.590 4.722 6.848 1.00 0.00 N ATOM 117 CA LYS A 24 -1.039 3.390 6.474 1.00 0.00 C ATOM 118 C LYS A 24 -0.262 3.537 5.162 1.00 0.00 C ATOM 119 O LYS A 24 0.886 3.142 5.057 1.00 0.00 O ATOM 120 CB LYS A 24 -2.257 2.458 6.334 1.00 0.00 C ATOM 121 CG LYS A 24 -2.824 2.507 4.912 1.00 0.00 C ATOM 122 CD LYS A 24 -3.914 1.443 4.760 1.00 0.00 C ATOM 123 CE LYS A 24 -5.136 1.840 5.592 1.00 0.00 C ATOM 124 NZ LYS A 24 -6.193 0.860 5.217 1.00 0.00 N ATOM 0 H LYS A 24 -2.582 4.858 6.651 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.347 2.982 7.211 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.968 1.436 6.579 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.028 2.751 7.047 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.235 3.496 4.707 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.029 2.335 4.186 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.193 1.340 3.711 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.538 0.473 5.086 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.918 1.796 6.659 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.448 2.861 5.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.063 1.068 5.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.384 0.929 4.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.871 -0.102 5.444 1.00 0.00 H new ATOM 138 N LEU A 25 -0.859 4.149 4.172 1.00 0.00 N ATOM 139 CA LEU A 25 -0.125 4.357 2.898 1.00 0.00 C ATOM 140 C LEU A 25 1.044 5.287 3.179 1.00 0.00 C ATOM 141 O LEU A 25 2.164 5.014 2.822 1.00 0.00 O ATOM 142 CB LEU A 25 -1.116 5.020 1.940 1.00 0.00 C ATOM 143 CG LEU A 25 -2.247 4.051 1.556 1.00 0.00 C ATOM 144 CD1 LEU A 25 -2.727 4.392 0.149 1.00 0.00 C ATOM 145 CD2 LEU A 25 -1.756 2.599 1.561 1.00 0.00 C ATOM 0 H LEU A 25 -1.813 4.509 4.194 1.00 0.00 H new ATOM 0 HA LEU A 25 0.257 3.430 2.471 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.538 5.910 2.407 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.594 5.349 1.042 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.052 4.153 2.284 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.530 3.712 -0.136 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.096 5.418 0.129 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.899 4.290 -0.553 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.577 1.936 1.286 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.943 2.487 0.843 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.398 2.339 2.557 1.00 0.00 H new ATOM 157 N ASN A 26 0.789 6.378 3.849 1.00 0.00 N ATOM 158 CA ASN A 26 1.896 7.310 4.185 1.00 0.00 C ATOM 159 C ASN A 26 3.024 6.513 4.831 1.00 0.00 C ATOM 160 O ASN A 26 4.119 6.441 4.324 1.00 0.00 O ATOM 161 CB ASN A 26 1.302 8.292 5.196 1.00 0.00 C ATOM 162 CG ASN A 26 0.727 9.506 4.468 1.00 0.00 C ATOM 163 OD1 ASN A 26 1.346 10.041 3.571 1.00 0.00 O ATOM 164 ND2 ASN A 26 -0.440 9.969 4.824 1.00 0.00 N ATOM 0 H ASN A 26 -0.135 6.661 4.176 1.00 0.00 H new ATOM 0 HA ASN A 26 2.296 7.826 3.312 1.00 0.00 H new ATOM 0 HB2 ASN A 26 0.520 7.801 5.776 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.070 8.610 5.901 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -0.833 10.781 4.348 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -0.959 9.519 5.578 1.00 0.00 H new ATOM 171 N GLN A 27 2.744 5.904 5.950 1.00 0.00 N ATOM 172 CA GLN A 27 3.778 5.095 6.653 1.00 0.00 C ATOM 173 C GLN A 27 4.500 4.171 5.669 1.00 0.00 C ATOM 174 O GLN A 27 5.680 3.931 5.788 1.00 0.00 O ATOM 175 CB GLN A 27 3.001 4.269 7.679 1.00 0.00 C ATOM 176 CG GLN A 27 2.943 5.023 9.010 1.00 0.00 C ATOM 177 CD GLN A 27 2.793 4.021 10.155 1.00 0.00 C ATOM 178 OE1 GLN A 27 1.849 3.257 10.190 1.00 0.00 O ATOM 179 NE2 GLN A 27 3.690 3.992 11.103 1.00 0.00 N ATOM 0 H GLN A 27 1.835 5.933 6.411 1.00 0.00 H new ATOM 0 HA GLN A 27 4.540 5.721 7.116 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.992 4.075 7.315 1.00 0.00 H new ATOM 0 HB3 GLN A 27 3.481 3.300 7.819 1.00 0.00 H new ATOM 0 HG2 GLN A 27 3.849 5.614 9.146 1.00 0.00 H new ATOM 0 HG3 GLN A 27 2.105 5.720 9.010 1.00 0.00 H new ATOM 0 HE21 GLN A 27 4.483 4.633 11.075 1.00 0.00 H new ATOM 0 HE22 GLN A 27 3.598 3.328 11.872 1.00 0.00 H new ATOM 188 N LEU A 28 3.799 3.638 4.706 1.00 0.00 N ATOM 189 CA LEU A 28 4.455 2.719 3.724 1.00 0.00 C ATOM 190 C LEU A 28 5.449 3.475 2.840 1.00 0.00 C ATOM 191 O LEU A 28 6.591 3.086 2.690 1.00 0.00 O ATOM 192 CB LEU A 28 3.296 2.173 2.876 1.00 0.00 C ATOM 193 CG LEU A 28 3.227 0.642 2.950 1.00 0.00 C ATOM 194 CD1 LEU A 28 4.252 0.043 1.987 1.00 0.00 C ATOM 195 CD2 LEU A 28 3.517 0.163 4.376 1.00 0.00 C ATOM 0 H LEU A 28 2.803 3.797 4.554 1.00 0.00 H new ATOM 0 HA LEU A 28 5.023 1.932 4.219 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.355 2.599 3.224 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.423 2.484 1.839 1.00 0.00 H new ATOM 0 HG LEU A 28 2.225 0.317 2.670 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.206 -1.045 2.037 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.031 0.369 0.971 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.252 0.377 2.266 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.464 -0.925 4.412 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.514 0.488 4.673 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.779 0.585 5.059 1.00 0.00 H new ATOM 207 N TRP A 29 5.022 4.540 2.246 1.00 0.00 N ATOM 208 CA TRP A 29 5.921 5.325 1.364 1.00 0.00 C ATOM 209 C TRP A 29 7.097 5.880 2.172 1.00 0.00 C ATOM 210 O TRP A 29 8.251 5.604 1.889 1.00 0.00 O ATOM 211 CB TRP A 29 5.017 6.437 0.856 1.00 0.00 C ATOM 212 CG TRP A 29 5.805 7.444 0.103 1.00 0.00 C ATOM 213 CD1 TRP A 29 5.813 8.760 0.380 1.00 0.00 C ATOM 214 CD2 TRP A 29 6.673 7.253 -1.047 1.00 0.00 C ATOM 215 NE1 TRP A 29 6.642 9.401 -0.525 1.00 0.00 N ATOM 216 CE2 TRP A 29 7.195 8.511 -1.427 1.00 0.00 C ATOM 217 CE3 TRP A 29 7.056 6.121 -1.788 1.00 0.00 C ATOM 218 CZ2 TRP A 29 8.067 8.641 -2.507 1.00 0.00 C ATOM 219 CZ3 TRP A 29 7.933 6.249 -2.875 1.00 0.00 C ATOM 220 CH2 TRP A 29 8.437 7.506 -3.235 1.00 0.00 C ATOM 0 H TRP A 29 4.075 4.909 2.332 1.00 0.00 H new ATOM 0 HA TRP A 29 6.365 4.745 0.555 1.00 0.00 H new ATOM 0 HB2 TRP A 29 4.242 6.019 0.214 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.512 6.915 1.695 1.00 0.00 H new ATOM 0 HD1 TRP A 29 5.263 9.238 1.177 1.00 0.00 H new ATOM 0 HE1 TRP A 29 6.822 10.405 -0.526 1.00 0.00 H new ATOM 0 HE3 TRP A 29 6.673 5.148 -1.519 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 8.454 9.612 -2.779 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 8.222 5.374 -3.438 1.00 0.00 H new ATOM 0 HH2 TRP A 29 9.111 7.598 -4.074 1.00 0.00 H new ATOM 231 N GLU A 30 6.820 6.645 3.188 1.00 0.00 N ATOM 232 CA GLU A 30 7.920 7.189 4.013 1.00 0.00 C ATOM 233 C GLU A 30 8.773 6.029 4.519 1.00 0.00 C ATOM 234 O GLU A 30 9.982 6.110 4.574 1.00 0.00 O ATOM 235 CB GLU A 30 7.236 7.916 5.164 1.00 0.00 C ATOM 236 CG GLU A 30 6.224 6.991 5.831 1.00 0.00 C ATOM 237 CD GLU A 30 6.833 6.423 7.115 1.00 0.00 C ATOM 238 OE1 GLU A 30 7.636 7.114 7.719 1.00 0.00 O ATOM 239 OE2 GLU A 30 6.491 5.308 7.470 1.00 0.00 O ATOM 0 H GLU A 30 5.880 6.914 3.479 1.00 0.00 H new ATOM 0 HA GLU A 30 8.577 7.864 3.464 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.978 8.243 5.892 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.736 8.811 4.795 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.309 7.537 6.059 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.952 6.181 5.154 1.00 0.00 H new ATOM 246 N LYS A 31 8.144 4.932 4.852 1.00 0.00 N ATOM 247 CA LYS A 31 8.912 3.743 5.312 1.00 0.00 C ATOM 248 C LYS A 31 9.942 3.416 4.233 1.00 0.00 C ATOM 249 O LYS A 31 11.110 3.191 4.502 1.00 0.00 O ATOM 250 CB LYS A 31 7.850 2.644 5.448 1.00 0.00 C ATOM 251 CG LYS A 31 8.486 1.258 5.401 1.00 0.00 C ATOM 252 CD LYS A 31 9.068 0.930 6.764 1.00 0.00 C ATOM 253 CE LYS A 31 10.464 1.528 6.829 1.00 0.00 C ATOM 254 NZ LYS A 31 11.257 0.576 7.653 1.00 0.00 N ATOM 0 H LYS A 31 7.132 4.811 4.824 1.00 0.00 H new ATOM 0 HA LYS A 31 9.452 3.876 6.250 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.311 2.769 6.387 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.118 2.739 4.646 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.742 0.512 5.121 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.268 1.229 4.642 1.00 0.00 H new ATOM 0 HD2 LYS A 31 8.440 1.339 7.556 1.00 0.00 H new ATOM 0 HD3 LYS A 31 9.107 -0.149 6.913 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.892 1.638 5.833 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.447 2.520 7.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.271 0.776 7.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 10.997 0.683 8.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 11.059 -0.398 7.346 1.00 0.00 H new ATOM 268 N ALA A 32 9.515 3.430 3.001 1.00 0.00 N ATOM 269 CA ALA A 32 10.457 3.169 1.889 1.00 0.00 C ATOM 270 C ALA A 32 11.600 4.171 1.979 1.00 0.00 C ATOM 271 O ALA A 32 12.760 3.809 1.992 1.00 0.00 O ATOM 272 CB ALA A 32 9.642 3.379 0.612 1.00 0.00 C ATOM 0 H ALA A 32 8.551 3.612 2.721 1.00 0.00 H new ATOM 0 HA ALA A 32 10.888 2.168 1.915 1.00 0.00 H new ATOM 0 HB1 ALA A 32 10.276 3.203 -0.257 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.803 2.683 0.597 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.265 4.401 0.585 1.00 0.00 H new ATOM 278 N GLN A 33 11.280 5.432 2.069 1.00 0.00 N ATOM 279 CA GLN A 33 12.358 6.448 2.192 1.00 0.00 C ATOM 280 C GLN A 33 13.251 6.069 3.374 1.00 0.00 C ATOM 281 O GLN A 33 14.426 6.372 3.409 1.00 0.00 O ATOM 282 CB GLN A 33 11.634 7.768 2.455 1.00 0.00 C ATOM 283 CG GLN A 33 10.795 8.133 1.231 1.00 0.00 C ATOM 284 CD GLN A 33 9.683 9.098 1.639 1.00 0.00 C ATOM 285 OE1 GLN A 33 8.461 8.864 1.248 1.00 0.00 O flip ATOM 286 NE2 GLN A 33 9.928 10.076 2.318 1.00 0.00 N flip ATOM 0 H GLN A 33 10.328 5.799 2.063 1.00 0.00 H new ATOM 0 HA GLN A 33 12.990 6.518 1.306 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.996 7.678 3.334 1.00 0.00 H new ATOM 0 HB3 GLN A 33 12.356 8.557 2.664 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.426 8.591 0.469 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.366 7.233 0.791 1.00 0.00 H new ATOM 0 HE21 GLN A 33 10.884 10.258 2.623 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.178 10.714 2.582 1.00 0.00 H new ATOM 295 N ARG A 34 12.690 5.382 4.333 1.00 0.00 N ATOM 296 CA ARG A 34 13.482 4.947 5.516 1.00 0.00 C ATOM 297 C ARG A 34 14.499 3.891 5.081 1.00 0.00 C ATOM 298 O ARG A 34 15.650 3.936 5.456 1.00 0.00 O ATOM 299 CB ARG A 34 12.458 4.343 6.478 1.00 0.00 C ATOM 300 CG ARG A 34 12.718 4.862 7.894 1.00 0.00 C ATOM 301 CD ARG A 34 12.127 6.266 8.039 1.00 0.00 C ATOM 302 NE ARG A 34 12.527 6.712 9.402 1.00 0.00 N ATOM 303 CZ ARG A 34 12.207 7.907 9.818 1.00 0.00 C ATOM 304 NH1 ARG A 34 11.106 8.471 9.400 1.00 0.00 N ATOM 305 NH2 ARG A 34 12.988 8.537 10.652 1.00 0.00 N ATOM 0 H ARG A 34 11.709 5.102 4.346 1.00 0.00 H new ATOM 0 HA ARG A 34 14.035 5.764 5.980 1.00 0.00 H new ATOM 0 HB2 ARG A 34 11.448 4.606 6.163 1.00 0.00 H new ATOM 0 HB3 ARG A 34 12.524 3.255 6.460 1.00 0.00 H new ATOM 0 HG2 ARG A 34 12.271 4.190 8.627 1.00 0.00 H new ATOM 0 HG3 ARG A 34 13.789 4.884 8.094 1.00 0.00 H new ATOM 0 HD2 ARG A 34 12.515 6.939 7.274 1.00 0.00 H new ATOM 0 HD3 ARG A 34 11.042 6.251 7.931 1.00 0.00 H new ATOM 0 HE ARG A 34 13.051 6.084 10.011 1.00 0.00 H new ATOM 0 HH11 ARG A 34 10.496 7.978 8.748 1.00 0.00 H new ATOM 0 HH12 ARG A 34 10.856 9.405 9.725 1.00 0.00 H new ATOM 0 HH21 ARG A 34 13.848 8.096 10.978 1.00 0.00 H new ATOM 0 HH22 ARG A 34 12.739 9.471 10.978 1.00 0.00 H new ATOM 319 N LEU A 35 14.079 2.946 4.279 1.00 0.00 N ATOM 320 CA LEU A 35 15.029 1.893 3.805 1.00 0.00 C ATOM 321 C LEU A 35 16.051 2.503 2.840 1.00 0.00 C ATOM 322 O LEU A 35 16.962 1.840 2.387 1.00 0.00 O ATOM 323 CB LEU A 35 14.162 0.869 3.077 1.00 0.00 C ATOM 324 CG LEU A 35 13.683 -0.184 4.070 1.00 0.00 C ATOM 325 CD1 LEU A 35 12.404 0.305 4.742 1.00 0.00 C ATOM 326 CD2 LEU A 35 13.403 -1.494 3.332 1.00 0.00 C ATOM 0 H LEU A 35 13.124 2.857 3.933 1.00 0.00 H new ATOM 0 HA LEU A 35 15.587 1.444 4.627 1.00 0.00 H new ATOM 0 HB2 LEU A 35 13.308 1.363 2.613 1.00 0.00 H new ATOM 0 HB3 LEU A 35 14.731 0.397 2.276 1.00 0.00 H new ATOM 0 HG LEU A 35 14.452 -0.352 4.824 1.00 0.00 H new ATOM 0 HD11 LEU A 35 12.057 -0.445 5.453 1.00 0.00 H new ATOM 0 HD12 LEU A 35 12.603 1.239 5.267 1.00 0.00 H new ATOM 0 HD13 LEU A 35 11.636 0.471 3.986 1.00 0.00 H new ATOM 0 HD21 LEU A 35 13.061 -2.246 4.043 1.00 0.00 H new ATOM 0 HD22 LEU A 35 12.633 -1.330 2.578 1.00 0.00 H new ATOM 0 HD23 LEU A 35 14.316 -1.841 2.848 1.00 0.00 H new ATOM 338 N HIS A 36 15.892 3.759 2.520 1.00 0.00 N ATOM 339 CA HIS A 36 16.835 4.443 1.584 1.00 0.00 C ATOM 340 C HIS A 36 16.738 3.855 0.173 1.00 0.00 C ATOM 341 O HIS A 36 17.696 3.870 -0.573 1.00 0.00 O ATOM 342 CB HIS A 36 18.241 4.222 2.156 1.00 0.00 C ATOM 343 CG HIS A 36 18.298 4.717 3.575 1.00 0.00 C ATOM 344 ND1 HIS A 36 18.096 4.084 4.774 1.00 0.00 N flip ATOM 345 CD2 HIS A 36 18.608 6.031 3.887 1.00 0.00 C flip ATOM 346 CE1 HIS A 36 18.277 4.988 5.817 1.00 0.00 C flip ATOM 347 NE2 HIS A 36 18.584 6.145 5.228 1.00 0.00 N flip ATOM 0 H HIS A 36 15.138 4.350 2.872 1.00 0.00 H new ATOM 0 HA HIS A 36 16.596 5.503 1.500 1.00 0.00 H new ATOM 0 HB2 HIS A 36 18.496 3.163 2.120 1.00 0.00 H new ATOM 0 HB3 HIS A 36 18.977 4.747 1.548 1.00 0.00 H new ATOM 0 HD2 HIS A 36 18.829 6.820 3.183 1.00 0.00 H new ATOM 0 HE1 HIS A 36 18.188 4.794 6.876 1.00 0.00 H new ATOM 0 HE2 HIS A 36 18.777 7.010 5.732 1.00 0.00 H new ATOM 355 N LEU A 37 15.596 3.350 -0.216 1.00 0.00 N ATOM 356 CA LEU A 37 15.487 2.792 -1.593 1.00 0.00 C ATOM 357 C LEU A 37 16.041 3.805 -2.594 1.00 0.00 C ATOM 358 O LEU A 37 16.192 4.968 -2.277 1.00 0.00 O ATOM 359 CB LEU A 37 13.987 2.613 -1.848 1.00 0.00 C ATOM 360 CG LEU A 37 13.431 1.426 -1.060 1.00 0.00 C ATOM 361 CD1 LEU A 37 11.929 1.340 -1.316 1.00 0.00 C ATOM 362 CD2 LEU A 37 14.083 0.127 -1.529 1.00 0.00 C ATOM 0 H LEU A 37 14.749 3.301 0.350 1.00 0.00 H new ATOM 0 HA LEU A 37 16.039 1.858 -1.697 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.456 3.522 -1.565 1.00 0.00 H new ATOM 0 HB3 LEU A 37 13.812 2.460 -2.913 1.00 0.00 H new ATOM 0 HG LEU A 37 13.639 1.566 0.001 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.513 0.498 -0.762 1.00 0.00 H new ATOM 0 HD12 LEU A 37 11.451 2.263 -0.988 1.00 0.00 H new ATOM 0 HD13 LEU A 37 11.749 1.197 -2.382 1.00 0.00 H new ATOM 0 HD21 LEU A 37 13.678 -0.710 -0.960 1.00 0.00 H new ATOM 0 HD22 LEU A 37 13.877 -0.022 -2.589 1.00 0.00 H new ATOM 0 HD23 LEU A 37 15.160 0.184 -1.374 1.00 0.00 H new ATOM 374 N PRO A 38 16.289 3.340 -3.784 1.00 0.00 N ATOM 375 CA PRO A 38 16.779 4.233 -4.854 1.00 0.00 C ATOM 376 C PRO A 38 15.596 5.049 -5.388 1.00 0.00 C ATOM 377 O PRO A 38 14.475 4.845 -4.967 1.00 0.00 O ATOM 378 CB PRO A 38 17.319 3.268 -5.907 1.00 0.00 C ATOM 379 CG PRO A 38 16.589 1.983 -5.680 1.00 0.00 C ATOM 380 CD PRO A 38 16.144 1.956 -4.236 1.00 0.00 C ATOM 0 HA PRO A 38 17.539 4.947 -4.536 1.00 0.00 H new ATOM 0 HB2 PRO A 38 17.144 3.647 -6.914 1.00 0.00 H new ATOM 0 HB3 PRO A 38 18.395 3.132 -5.801 1.00 0.00 H new ATOM 0 HG2 PRO A 38 15.730 1.909 -6.346 1.00 0.00 H new ATOM 0 HG3 PRO A 38 17.235 1.133 -5.897 1.00 0.00 H new ATOM 0 HD2 PRO A 38 15.113 1.614 -4.144 1.00 0.00 H new ATOM 0 HD3 PRO A 38 16.758 1.278 -3.644 1.00 0.00 H new ATOM 388 N PRO A 39 15.871 5.947 -6.290 1.00 0.00 N ATOM 389 CA PRO A 39 14.790 6.790 -6.864 1.00 0.00 C ATOM 390 C PRO A 39 13.850 5.942 -7.726 1.00 0.00 C ATOM 391 O PRO A 39 12.642 6.071 -7.662 1.00 0.00 O ATOM 392 CB PRO A 39 15.547 7.813 -7.710 1.00 0.00 C ATOM 393 CG PRO A 39 16.844 7.149 -8.037 1.00 0.00 C ATOM 394 CD PRO A 39 17.182 6.267 -6.864 1.00 0.00 C ATOM 0 HA PRO A 39 14.159 7.258 -6.108 1.00 0.00 H new ATOM 0 HB2 PRO A 39 14.993 8.067 -8.614 1.00 0.00 H new ATOM 0 HB3 PRO A 39 15.705 8.742 -7.161 1.00 0.00 H new ATOM 0 HG2 PRO A 39 16.759 6.562 -8.952 1.00 0.00 H new ATOM 0 HG3 PRO A 39 17.627 7.889 -8.204 1.00 0.00 H new ATOM 0 HD2 PRO A 39 17.714 5.368 -7.177 1.00 0.00 H new ATOM 0 HD3 PRO A 39 17.820 6.781 -6.146 1.00 0.00 H new ATOM 402 N VAL A 40 14.394 5.071 -8.529 1.00 0.00 N ATOM 403 CA VAL A 40 13.534 4.213 -9.394 1.00 0.00 C ATOM 404 C VAL A 40 12.569 3.386 -8.543 1.00 0.00 C ATOM 405 O VAL A 40 11.394 3.278 -8.840 1.00 0.00 O ATOM 406 CB VAL A 40 14.509 3.296 -10.131 1.00 0.00 C ATOM 407 CG1 VAL A 40 15.160 2.324 -9.143 1.00 0.00 C ATOM 408 CG2 VAL A 40 13.752 2.504 -11.199 1.00 0.00 C ATOM 0 H VAL A 40 15.398 4.915 -8.625 1.00 0.00 H new ATOM 0 HA VAL A 40 12.924 4.804 -10.077 1.00 0.00 H new ATOM 0 HB VAL A 40 15.284 3.901 -10.601 1.00 0.00 H new ATOM 0 HG11 VAL A 40 15.854 1.674 -9.676 1.00 0.00 H new ATOM 0 HG12 VAL A 40 15.702 2.887 -8.382 1.00 0.00 H new ATOM 0 HG13 VAL A 40 14.389 1.719 -8.666 1.00 0.00 H new ATOM 0 HG21 VAL A 40 14.446 1.849 -11.726 1.00 0.00 H new ATOM 0 HG22 VAL A 40 12.975 1.904 -10.725 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.295 3.194 -11.908 1.00 0.00 H new ATOM 418 N ARG A 41 13.058 2.797 -7.490 1.00 0.00 N ATOM 419 CA ARG A 41 12.189 1.970 -6.617 1.00 0.00 C ATOM 420 C ARG A 41 11.189 2.845 -5.879 1.00 0.00 C ATOM 421 O ARG A 41 10.087 2.432 -5.593 1.00 0.00 O ATOM 422 CB ARG A 41 13.156 1.331 -5.640 1.00 0.00 C ATOM 423 CG ARG A 41 13.450 -0.094 -6.083 1.00 0.00 C ATOM 424 CD ARG A 41 13.117 -1.042 -4.945 1.00 0.00 C ATOM 425 NE ARG A 41 14.302 -0.979 -4.056 1.00 0.00 N ATOM 426 CZ ARG A 41 14.856 -2.078 -3.626 1.00 0.00 C ATOM 427 NH1 ARG A 41 14.135 -3.157 -3.482 1.00 0.00 N ATOM 428 NH2 ARG A 41 16.128 -2.098 -3.341 1.00 0.00 N ATOM 0 H ARG A 41 14.033 2.855 -7.196 1.00 0.00 H new ATOM 0 HA ARG A 41 11.606 1.237 -7.175 1.00 0.00 H new ATOM 0 HB2 ARG A 41 14.080 1.908 -5.595 1.00 0.00 H new ATOM 0 HB3 ARG A 41 12.731 1.332 -4.636 1.00 0.00 H new ATOM 0 HG2 ARG A 41 12.861 -0.343 -6.966 1.00 0.00 H new ATOM 0 HG3 ARG A 41 14.499 -0.193 -6.361 1.00 0.00 H new ATOM 0 HD2 ARG A 41 12.211 -0.734 -4.423 1.00 0.00 H new ATOM 0 HD3 ARG A 41 12.946 -2.055 -5.309 1.00 0.00 H new ATOM 0 HE ARG A 41 14.684 -0.074 -3.780 1.00 0.00 H new ATOM 0 HH11 ARG A 41 13.140 -3.139 -3.706 1.00 0.00 H new ATOM 0 HH12 ARG A 41 14.567 -4.018 -3.146 1.00 0.00 H new ATOM 0 HH21 ARG A 41 16.689 -1.254 -3.454 1.00 0.00 H new ATOM 0 HH22 ARG A 41 16.562 -2.958 -3.005 1.00 0.00 H new ATOM 442 N LEU A 42 11.562 4.052 -5.570 1.00 0.00 N ATOM 443 CA LEU A 42 10.615 4.949 -4.859 1.00 0.00 C ATOM 444 C LEU A 42 9.566 5.438 -5.852 1.00 0.00 C ATOM 445 O LEU A 42 8.463 5.789 -5.486 1.00 0.00 O ATOM 446 CB LEU A 42 11.462 6.108 -4.347 1.00 0.00 C ATOM 447 CG LEU A 42 12.412 5.605 -3.261 1.00 0.00 C ATOM 448 CD1 LEU A 42 13.623 6.535 -3.192 1.00 0.00 C ATOM 449 CD2 LEU A 42 11.686 5.608 -1.910 1.00 0.00 C ATOM 0 H LEU A 42 12.476 4.455 -5.777 1.00 0.00 H new ATOM 0 HA LEU A 42 10.093 4.456 -4.039 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.030 6.547 -5.167 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.820 6.893 -3.948 1.00 0.00 H new ATOM 0 HG LEU A 42 12.739 4.591 -3.493 1.00 0.00 H new ATOM 0 HD11 LEU A 42 14.307 6.184 -2.419 1.00 0.00 H new ATOM 0 HD12 LEU A 42 14.134 6.539 -4.155 1.00 0.00 H new ATOM 0 HD13 LEU A 42 13.292 7.546 -2.952 1.00 0.00 H new ATOM 0 HD21 LEU A 42 12.361 5.250 -1.133 1.00 0.00 H new ATOM 0 HD22 LEU A 42 11.365 6.622 -1.672 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.815 4.955 -1.963 1.00 0.00 H new ATOM 461 N ALA A 43 9.900 5.444 -7.114 1.00 0.00 N ATOM 462 CA ALA A 43 8.915 5.882 -8.139 1.00 0.00 C ATOM 463 C ALA A 43 7.905 4.755 -8.367 1.00 0.00 C ATOM 464 O ALA A 43 6.712 4.929 -8.204 1.00 0.00 O ATOM 465 CB ALA A 43 9.735 6.138 -9.404 1.00 0.00 C ATOM 0 H ALA A 43 10.811 5.165 -7.477 1.00 0.00 H new ATOM 0 HA ALA A 43 8.360 6.772 -7.843 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.074 6.465 -10.206 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.477 6.912 -9.206 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.240 5.219 -9.702 1.00 0.00 H new ATOM 471 N GLU A 44 8.380 3.587 -8.716 1.00 0.00 N ATOM 472 CA GLU A 44 7.447 2.445 -8.924 1.00 0.00 C ATOM 473 C GLU A 44 6.688 2.183 -7.624 1.00 0.00 C ATOM 474 O GLU A 44 5.506 1.897 -7.622 1.00 0.00 O ATOM 475 CB GLU A 44 8.339 1.252 -9.276 1.00 0.00 C ATOM 476 CG GLU A 44 8.990 1.484 -10.641 1.00 0.00 C ATOM 477 CD GLU A 44 8.995 0.175 -11.434 1.00 0.00 C ATOM 478 OE1 GLU A 44 7.966 -0.478 -11.466 1.00 0.00 O ATOM 479 OE2 GLU A 44 10.028 -0.151 -11.994 1.00 0.00 O ATOM 0 H GLU A 44 9.367 3.378 -8.865 1.00 0.00 H new ATOM 0 HA GLU A 44 6.713 2.635 -9.707 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.107 1.121 -8.513 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.748 0.336 -9.294 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.445 2.252 -11.190 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.010 1.847 -10.512 1.00 0.00 H new ATOM 486 N LEU A 45 7.363 2.305 -6.512 1.00 0.00 N ATOM 487 CA LEU A 45 6.691 2.088 -5.202 1.00 0.00 C ATOM 488 C LEU A 45 5.595 3.134 -5.034 1.00 0.00 C ATOM 489 O LEU A 45 4.477 2.822 -4.691 1.00 0.00 O ATOM 490 CB LEU A 45 7.794 2.272 -4.150 1.00 0.00 C ATOM 491 CG LEU A 45 7.177 2.634 -2.792 1.00 0.00 C ATOM 492 CD1 LEU A 45 6.426 1.428 -2.217 1.00 0.00 C ATOM 493 CD2 LEU A 45 8.291 3.037 -1.825 1.00 0.00 C ATOM 0 H LEU A 45 8.353 2.546 -6.456 1.00 0.00 H new ATOM 0 HA LEU A 45 6.226 1.106 -5.114 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.377 1.355 -4.060 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.481 3.057 -4.466 1.00 0.00 H new ATOM 0 HG LEU A 45 6.479 3.461 -2.926 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.992 1.695 -1.253 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.632 1.133 -2.903 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.119 0.597 -2.085 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.858 3.295 -0.859 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.984 2.205 -1.701 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.826 3.899 -2.225 1.00 0.00 H new ATOM 505 N HIS A 46 5.907 4.374 -5.288 1.00 0.00 N ATOM 506 CA HIS A 46 4.878 5.439 -5.153 1.00 0.00 C ATOM 507 C HIS A 46 3.699 5.125 -6.069 1.00 0.00 C ATOM 508 O HIS A 46 2.565 5.418 -5.758 1.00 0.00 O ATOM 509 CB HIS A 46 5.569 6.731 -5.584 1.00 0.00 C ATOM 510 CG HIS A 46 4.781 7.902 -5.068 1.00 0.00 C ATOM 511 ND1 HIS A 46 3.664 8.391 -5.727 1.00 0.00 N ATOM 512 CD2 HIS A 46 4.930 8.683 -3.950 1.00 0.00 C ATOM 513 CE1 HIS A 46 3.189 9.422 -5.005 1.00 0.00 C ATOM 514 NE2 HIS A 46 3.925 9.643 -3.913 1.00 0.00 N ATOM 0 H HIS A 46 6.829 4.695 -5.583 1.00 0.00 H new ATOM 0 HA HIS A 46 4.490 5.518 -4.137 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.587 6.761 -5.195 1.00 0.00 H new ATOM 0 HB3 HIS A 46 5.641 6.775 -6.671 1.00 0.00 H new ATOM 0 HD1 HIS A 46 3.274 8.035 -6.599 1.00 0.00 H new ATOM 0 HD2 HIS A 46 5.709 8.569 -3.211 1.00 0.00 H new ATOM 0 HE1 HIS A 46 2.318 10.001 -5.276 1.00 0.00 H new ATOM 522 N ALA A 47 3.959 4.520 -7.196 1.00 0.00 N ATOM 523 CA ALA A 47 2.846 4.173 -8.123 1.00 0.00 C ATOM 524 C ALA A 47 1.979 3.082 -7.490 1.00 0.00 C ATOM 525 O ALA A 47 0.764 3.136 -7.528 1.00 0.00 O ATOM 526 CB ALA A 47 3.530 3.654 -9.388 1.00 0.00 C ATOM 0 H ALA A 47 4.891 4.252 -7.514 1.00 0.00 H new ATOM 0 HA ALA A 47 2.196 5.021 -8.339 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.774 3.376 -10.123 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.169 4.434 -9.802 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.135 2.781 -9.142 1.00 0.00 H new ATOM 532 N ASP A 48 2.599 2.093 -6.902 1.00 0.00 N ATOM 533 CA ASP A 48 1.815 1.000 -6.262 1.00 0.00 C ATOM 534 C ASP A 48 1.078 1.529 -5.028 1.00 0.00 C ATOM 535 O ASP A 48 0.025 1.040 -4.669 1.00 0.00 O ATOM 536 CB ASP A 48 2.848 -0.056 -5.861 1.00 0.00 C ATOM 537 CG ASP A 48 3.422 -0.715 -7.116 1.00 0.00 C ATOM 538 OD1 ASP A 48 2.697 -0.817 -8.093 1.00 0.00 O ATOM 539 OD2 ASP A 48 4.576 -1.109 -7.079 1.00 0.00 O ATOM 0 H ASP A 48 3.612 1.996 -6.838 1.00 0.00 H new ATOM 0 HA ASP A 48 1.059 0.591 -6.932 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.648 0.405 -5.282 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.385 -0.808 -5.222 1.00 0.00 H new ATOM 544 N LEU A 49 1.609 2.535 -4.381 1.00 0.00 N ATOM 545 CA LEU A 49 0.918 3.090 -3.190 1.00 0.00 C ATOM 546 C LEU A 49 -0.250 3.939 -3.652 1.00 0.00 C ATOM 547 O LEU A 49 -1.300 3.950 -3.048 1.00 0.00 O ATOM 548 CB LEU A 49 1.953 3.961 -2.488 1.00 0.00 C ATOM 549 CG LEU A 49 3.106 3.091 -2.016 1.00 0.00 C ATOM 550 CD1 LEU A 49 4.155 3.973 -1.343 1.00 0.00 C ATOM 551 CD2 LEU A 49 2.577 2.055 -1.025 1.00 0.00 C ATOM 0 H LEU A 49 2.487 2.991 -4.628 1.00 0.00 H new ATOM 0 HA LEU A 49 0.535 2.314 -2.528 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.318 4.731 -3.168 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.499 4.474 -1.640 1.00 0.00 H new ATOM 0 HG LEU A 49 3.561 2.577 -2.863 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.985 3.355 -1.002 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.521 4.711 -2.056 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.708 4.483 -0.490 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.399 1.427 -0.682 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.128 2.564 -0.172 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.826 1.435 -1.514 1.00 0.00 H new ATOM 563 N LYS A 50 -0.072 4.648 -4.729 1.00 0.00 N ATOM 564 CA LYS A 50 -1.175 5.490 -5.241 1.00 0.00 C ATOM 565 C LYS A 50 -2.317 4.580 -5.678 1.00 0.00 C ATOM 566 O LYS A 50 -3.465 4.822 -5.377 1.00 0.00 O ATOM 567 CB LYS A 50 -0.595 6.250 -6.434 1.00 0.00 C ATOM 568 CG LYS A 50 0.285 7.403 -5.939 1.00 0.00 C ATOM 569 CD LYS A 50 -0.468 8.215 -4.882 1.00 0.00 C ATOM 570 CE LYS A 50 -1.891 8.500 -5.369 1.00 0.00 C ATOM 571 NZ LYS A 50 -2.169 9.900 -4.943 1.00 0.00 N ATOM 0 H LYS A 50 0.790 4.678 -5.274 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.564 6.183 -4.495 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.008 5.574 -7.057 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.401 6.638 -7.057 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.211 7.011 -5.518 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.562 8.046 -6.775 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.498 7.666 -3.941 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.055 9.151 -4.688 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.967 8.394 -6.451 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.606 7.804 -4.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.128 10.170 -5.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.096 9.969 -3.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.477 10.540 -5.382 1.00 0.00 H new ATOM 585 N ILE A 51 -2.005 3.515 -6.366 1.00 0.00 N ATOM 586 CA ILE A 51 -3.075 2.576 -6.789 1.00 0.00 C ATOM 587 C ILE A 51 -3.725 1.981 -5.543 1.00 0.00 C ATOM 588 O ILE A 51 -4.935 1.925 -5.424 1.00 0.00 O ATOM 589 CB ILE A 51 -2.364 1.494 -7.597 1.00 0.00 C ATOM 590 CG1 ILE A 51 -1.815 2.106 -8.889 1.00 0.00 C ATOM 591 CG2 ILE A 51 -3.351 0.378 -7.938 1.00 0.00 C ATOM 592 CD1 ILE A 51 -2.898 2.956 -9.557 1.00 0.00 C ATOM 0 H ILE A 51 -1.060 3.258 -6.651 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.857 3.056 -7.377 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.543 1.081 -7.011 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.941 2.720 -8.670 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.489 1.317 -9.567 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.842 -0.394 -8.515 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -3.742 -0.055 -7.018 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -4.174 0.787 -8.525 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.504 3.390 -10.476 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.759 2.330 -9.791 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.203 3.754 -8.880 1.00 0.00 H new ATOM 604 N GLN A 52 -2.926 1.560 -4.598 1.00 0.00 N ATOM 605 CA GLN A 52 -3.498 0.992 -3.350 1.00 0.00 C ATOM 606 C GLN A 52 -4.239 2.094 -2.600 1.00 0.00 C ATOM 607 O GLN A 52 -5.102 1.835 -1.784 1.00 0.00 O ATOM 608 CB GLN A 52 -2.285 0.509 -2.549 1.00 0.00 C ATOM 609 CG GLN A 52 -2.753 -0.116 -1.235 1.00 0.00 C ATOM 610 CD GLN A 52 -3.794 -1.194 -1.526 1.00 0.00 C ATOM 611 OE1 GLN A 52 -4.673 -1.497 -0.613 1.00 0.00 O flip ATOM 612 NE2 GLN A 52 -3.809 -1.767 -2.597 1.00 0.00 N flip ATOM 0 H GLN A 52 -1.907 1.586 -4.639 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.206 0.183 -3.529 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.720 -0.221 -3.130 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.614 1.344 -2.347 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.905 -0.548 -0.703 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.179 0.650 -0.587 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.121 -1.530 -3.312 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.510 -2.485 -2.781 1.00 0.00 H new ATOM 621 N GLU A 53 -3.915 3.324 -2.883 1.00 0.00 N ATOM 622 CA GLU A 53 -4.605 4.447 -2.201 1.00 0.00 C ATOM 623 C GLU A 53 -6.011 4.601 -2.773 1.00 0.00 C ATOM 624 O GLU A 53 -6.984 4.437 -2.076 1.00 0.00 O ATOM 625 CB GLU A 53 -3.749 5.681 -2.501 1.00 0.00 C ATOM 626 CG GLU A 53 -3.955 6.729 -1.406 1.00 0.00 C ATOM 627 CD GLU A 53 -4.321 8.071 -2.043 1.00 0.00 C ATOM 628 OE1 GLU A 53 -5.422 8.182 -2.558 1.00 0.00 O ATOM 629 OE2 GLU A 53 -3.494 8.967 -2.007 1.00 0.00 O ATOM 0 H GLU A 53 -3.201 3.598 -3.558 1.00 0.00 H new ATOM 0 HA GLU A 53 -4.712 4.291 -1.128 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.697 5.401 -2.557 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.020 6.097 -3.471 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.746 6.410 -0.727 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.047 6.832 -0.812 1.00 0.00 H new ATOM 636 N ARG A 54 -6.128 4.892 -4.037 1.00 0.00 N ATOM 637 CA ARG A 54 -7.484 5.036 -4.639 1.00 0.00 C ATOM 638 C ARG A 54 -8.281 3.756 -4.400 1.00 0.00 C ATOM 639 O ARG A 54 -9.487 3.776 -4.242 1.00 0.00 O ATOM 640 CB ARG A 54 -7.236 5.252 -6.133 1.00 0.00 C ATOM 641 CG ARG A 54 -8.466 5.913 -6.760 1.00 0.00 C ATOM 642 CD ARG A 54 -8.079 6.560 -8.093 1.00 0.00 C ATOM 643 NE ARG A 54 -7.573 5.438 -8.933 1.00 0.00 N ATOM 644 CZ ARG A 54 -7.714 5.481 -10.231 1.00 0.00 C ATOM 645 NH1 ARG A 54 -8.882 5.263 -10.770 1.00 0.00 N ATOM 646 NH2 ARG A 54 -6.684 5.738 -10.991 1.00 0.00 N ATOM 0 H ARG A 54 -5.348 5.036 -4.678 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.054 5.859 -4.208 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -6.357 5.879 -6.280 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -7.033 4.299 -6.621 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.249 5.171 -6.918 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -8.872 6.665 -6.083 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -8.936 7.047 -8.559 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -7.315 7.325 -7.954 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.117 4.637 -8.495 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -9.687 5.059 -10.178 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -8.990 5.297 -11.784 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -5.770 5.905 -10.571 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -6.794 5.772 -12.005 1.00 0.00 H new ATOM 660 N ASP A 55 -7.609 2.639 -4.358 1.00 0.00 N ATOM 661 CA ASP A 55 -8.311 1.350 -4.114 1.00 0.00 C ATOM 662 C ASP A 55 -8.722 1.255 -2.645 1.00 0.00 C ATOM 663 O ASP A 55 -9.740 0.683 -2.306 1.00 0.00 O ATOM 664 CB ASP A 55 -7.273 0.277 -4.446 1.00 0.00 C ATOM 665 CG ASP A 55 -6.915 0.356 -5.931 1.00 0.00 C ATOM 666 OD1 ASP A 55 -7.589 1.084 -6.644 1.00 0.00 O ATOM 667 OD2 ASP A 55 -5.977 -0.312 -6.332 1.00 0.00 O ATOM 0 H ASP A 55 -6.599 2.564 -4.483 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.217 1.245 -4.710 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.380 0.419 -3.838 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.667 -0.711 -4.208 1.00 0.00 H new ATOM 672 N GLU A 56 -7.926 1.801 -1.767 1.00 0.00 N ATOM 673 CA GLU A 56 -8.252 1.729 -0.316 1.00 0.00 C ATOM 674 C GLU A 56 -9.369 2.706 0.056 1.00 0.00 C ATOM 675 O GLU A 56 -10.193 2.400 0.881 1.00 0.00 O ATOM 676 CB GLU A 56 -6.953 2.091 0.403 1.00 0.00 C ATOM 677 CG GLU A 56 -6.141 0.819 0.655 1.00 0.00 C ATOM 678 CD GLU A 56 -4.889 1.164 1.464 1.00 0.00 C ATOM 679 OE1 GLU A 56 -4.661 2.341 1.692 1.00 0.00 O ATOM 680 OE2 GLU A 56 -4.181 0.246 1.842 1.00 0.00 O ATOM 0 H GLU A 56 -7.063 2.295 -1.993 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.615 0.740 -0.037 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.374 2.792 -0.199 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.173 2.588 1.348 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.746 0.090 1.194 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.859 0.361 -0.293 1.00 0.00 H new ATOM 687 N LEU A 57 -9.425 3.862 -0.547 1.00 0.00 N ATOM 688 CA LEU A 57 -10.523 4.810 -0.210 1.00 0.00 C ATOM 689 C LEU A 57 -11.757 4.380 -0.980 1.00 0.00 C ATOM 690 O LEU A 57 -12.827 4.204 -0.429 1.00 0.00 O ATOM 691 CB LEU A 57 -10.056 6.185 -0.685 1.00 0.00 C ATOM 692 CG LEU A 57 -8.634 6.447 -0.198 1.00 0.00 C ATOM 693 CD1 LEU A 57 -7.748 6.758 -1.402 1.00 0.00 C ATOM 694 CD2 LEU A 57 -8.637 7.642 0.757 1.00 0.00 C ATOM 0 H LEU A 57 -8.764 4.189 -1.252 1.00 0.00 H new ATOM 0 HA LEU A 57 -10.757 4.830 0.854 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.092 6.235 -1.773 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -10.727 6.957 -0.308 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.252 5.569 0.324 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.729 6.947 -1.065 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.752 5.909 -2.086 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -8.129 7.640 -1.916 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.622 7.831 1.106 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -9.012 8.523 0.236 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -9.280 7.424 1.610 1.00 0.00 H new ATOM 706 N ALA A 58 -11.601 4.179 -2.256 1.00 0.00 N ATOM 707 CA ALA A 58 -12.750 3.724 -3.068 1.00 0.00 C ATOM 708 C ALA A 58 -13.324 2.470 -2.413 1.00 0.00 C ATOM 709 O ALA A 58 -14.529 2.291 -2.296 1.00 0.00 O ATOM 710 CB ALA A 58 -12.166 3.407 -4.444 1.00 0.00 C ATOM 0 H ALA A 58 -10.728 4.311 -2.767 1.00 0.00 H new ATOM 0 HA ALA A 58 -13.550 4.460 -3.147 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.960 3.062 -5.106 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -11.711 4.305 -4.862 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -11.410 2.628 -4.348 1.00 0.00 H new ATOM 716 N TRP A 59 -12.465 1.604 -1.951 1.00 0.00 N ATOM 717 CA TRP A 59 -12.966 0.388 -1.283 1.00 0.00 C ATOM 718 C TRP A 59 -13.626 0.781 0.045 1.00 0.00 C ATOM 719 O TRP A 59 -14.697 0.318 0.375 1.00 0.00 O ATOM 720 CB TRP A 59 -11.744 -0.488 -1.037 1.00 0.00 C ATOM 721 CG TRP A 59 -12.146 -1.557 -0.087 1.00 0.00 C ATOM 722 CD1 TRP A 59 -12.828 -2.672 -0.419 1.00 0.00 C ATOM 723 CD2 TRP A 59 -11.944 -1.604 1.348 1.00 0.00 C ATOM 724 NE1 TRP A 59 -13.059 -3.409 0.726 1.00 0.00 N ATOM 725 CE2 TRP A 59 -12.525 -2.793 1.845 1.00 0.00 C ATOM 726 CE3 TRP A 59 -11.313 -0.737 2.256 1.00 0.00 C ATOM 727 CZ2 TRP A 59 -12.481 -3.111 3.203 1.00 0.00 C ATOM 728 CZ3 TRP A 59 -11.267 -1.050 3.619 1.00 0.00 C ATOM 729 CH2 TRP A 59 -11.850 -2.235 4.093 1.00 0.00 C ATOM 0 H TRP A 59 -11.450 1.690 -2.010 1.00 0.00 H new ATOM 0 HA TRP A 59 -13.708 -0.139 -1.882 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -11.387 -0.920 -1.972 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -10.925 0.103 -0.626 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -13.142 -2.944 -1.416 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -13.561 -4.297 0.745 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -10.861 0.177 1.900 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -12.930 -4.025 3.564 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -10.781 -0.377 4.309 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -11.812 -2.471 5.146 1.00 0.00 H new ATOM 740 N LYS A 60 -13.006 1.644 0.809 1.00 0.00 N ATOM 741 CA LYS A 60 -13.636 2.052 2.093 1.00 0.00 C ATOM 742 C LYS A 60 -15.078 2.438 1.803 1.00 0.00 C ATOM 743 O LYS A 60 -15.974 2.158 2.573 1.00 0.00 O ATOM 744 CB LYS A 60 -12.832 3.247 2.605 1.00 0.00 C ATOM 745 CG LYS A 60 -11.439 2.780 3.021 1.00 0.00 C ATOM 746 CD LYS A 60 -11.350 2.687 4.542 1.00 0.00 C ATOM 747 CE LYS A 60 -10.822 4.010 5.095 1.00 0.00 C ATOM 748 NZ LYS A 60 -10.024 3.635 6.295 1.00 0.00 N ATOM 0 H LYS A 60 -12.106 2.076 0.601 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.637 1.260 2.841 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -12.756 4.008 1.828 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -13.342 3.706 3.452 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.225 1.808 2.576 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.687 3.475 2.647 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -12.331 2.469 4.963 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.690 1.869 4.831 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.208 4.528 4.359 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.639 4.682 5.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -9.628 4.492 6.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.636 3.149 6.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.250 3.001 6.013 1.00 0.00 H new ATOM 762 N LYS A 61 -15.319 3.034 0.666 1.00 0.00 N ATOM 763 CA LYS A 61 -16.718 3.371 0.309 1.00 0.00 C ATOM 764 C LYS A 61 -17.441 2.045 0.115 1.00 0.00 C ATOM 765 O LYS A 61 -18.521 1.824 0.625 1.00 0.00 O ATOM 766 CB LYS A 61 -16.634 4.162 -0.998 1.00 0.00 C ATOM 767 CG LYS A 61 -17.992 4.142 -1.702 1.00 0.00 C ATOM 768 CD LYS A 61 -17.824 4.646 -3.136 1.00 0.00 C ATOM 769 CE LYS A 61 -19.201 4.846 -3.772 1.00 0.00 C ATOM 770 NZ LYS A 61 -19.688 6.148 -3.236 1.00 0.00 N ATOM 0 H LYS A 61 -14.613 3.298 -0.021 1.00 0.00 H new ATOM 0 HA LYS A 61 -17.248 3.959 1.059 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -16.335 5.190 -0.793 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -15.871 3.731 -1.647 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -18.398 3.131 -1.705 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -18.703 4.770 -1.164 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -17.270 5.585 -3.140 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -17.243 3.931 -3.718 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -19.134 4.867 -4.860 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -19.878 4.033 -3.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -20.337 6.585 -3.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -20.189 5.988 -2.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -18.879 6.781 -3.073 1.00 0.00 H new ATOM 784 N LEU A 62 -16.812 1.138 -0.590 1.00 0.00 N ATOM 785 CA LEU A 62 -17.420 -0.210 -0.786 1.00 0.00 C ATOM 786 C LEU A 62 -17.713 -0.834 0.583 1.00 0.00 C ATOM 787 O LEU A 62 -18.832 -0.836 1.056 1.00 0.00 O ATOM 788 CB LEU A 62 -16.342 -1.029 -1.493 1.00 0.00 C ATOM 789 CG LEU A 62 -16.690 -1.196 -2.964 1.00 0.00 C ATOM 790 CD1 LEU A 62 -15.718 -0.374 -3.813 1.00 0.00 C ATOM 791 CD2 LEU A 62 -16.580 -2.678 -3.340 1.00 0.00 C ATOM 0 H LEU A 62 -15.905 1.274 -1.037 1.00 0.00 H new ATOM 0 HA LEU A 62 -18.350 -0.170 -1.353 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -15.376 -0.534 -1.394 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -16.249 -2.007 -1.020 1.00 0.00 H new ATOM 0 HG LEU A 62 -17.707 -0.848 -3.146 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -15.966 -0.493 -4.868 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -15.795 0.678 -3.538 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -14.700 -0.721 -3.639 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -16.828 -2.805 -4.394 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -15.562 -3.024 -3.163 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -17.272 -3.260 -2.731 1.00 0.00 H new ATOM 803 N LYS A 63 -16.692 -1.359 1.213 1.00 0.00 N ATOM 804 CA LYS A 63 -16.844 -1.991 2.557 1.00 0.00 C ATOM 805 C LYS A 63 -17.907 -1.264 3.388 1.00 0.00 C ATOM 806 O LYS A 63 -18.832 -1.866 3.894 1.00 0.00 O ATOM 807 CB LYS A 63 -15.463 -1.829 3.197 1.00 0.00 C ATOM 808 CG LYS A 63 -15.393 -2.619 4.506 1.00 0.00 C ATOM 809 CD LYS A 63 -15.493 -1.653 5.689 1.00 0.00 C ATOM 810 CE LYS A 63 -14.541 -2.107 6.799 1.00 0.00 C ATOM 811 NZ LYS A 63 -14.063 -0.846 7.430 1.00 0.00 N ATOM 0 H LYS A 63 -15.741 -1.376 0.844 1.00 0.00 H new ATOM 0 HA LYS A 63 -17.166 -3.031 2.495 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -14.692 -2.179 2.510 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -15.264 -0.775 3.389 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -16.203 -3.347 4.548 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.459 -3.178 4.557 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -15.240 -0.642 5.369 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -16.517 -1.623 6.063 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -15.052 -2.742 7.523 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.711 -2.687 6.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -13.404 -1.072 8.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -13.576 -0.265 6.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -14.875 -0.319 7.811 1.00 0.00 H new ATOM 825 N LEU A 64 -17.777 0.026 3.533 1.00 0.00 N ATOM 826 CA LEU A 64 -18.775 0.791 4.332 1.00 0.00 C ATOM 827 C LEU A 64 -20.197 0.471 3.856 1.00 0.00 C ATOM 828 O LEU A 64 -21.063 0.140 4.641 1.00 0.00 O ATOM 829 CB LEU A 64 -18.439 2.262 4.079 1.00 0.00 C ATOM 830 CG LEU A 64 -17.168 2.636 4.846 1.00 0.00 C ATOM 831 CD1 LEU A 64 -16.637 3.977 4.335 1.00 0.00 C ATOM 832 CD2 LEU A 64 -17.492 2.754 6.337 1.00 0.00 C ATOM 0 H LEU A 64 -17.022 0.583 3.133 1.00 0.00 H new ATOM 0 HA LEU A 64 -18.735 0.540 5.392 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -18.297 2.435 3.012 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -19.268 2.895 4.397 1.00 0.00 H new ATOM 0 HG LEU A 64 -16.413 1.865 4.695 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -15.732 4.242 4.882 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -16.408 3.897 3.272 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -17.392 4.749 4.486 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -16.589 3.020 6.886 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -18.247 3.526 6.485 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -17.871 1.800 6.704 1.00 0.00 H new ATOM 844 N ASP A 65 -20.443 0.566 2.577 1.00 0.00 N ATOM 845 CA ASP A 65 -21.808 0.265 2.056 1.00 0.00 C ATOM 846 C ASP A 65 -22.149 -1.210 2.291 1.00 0.00 C ATOM 847 O ASP A 65 -23.302 -1.587 2.361 1.00 0.00 O ATOM 848 CB ASP A 65 -21.738 0.565 0.557 1.00 0.00 C ATOM 849 CG ASP A 65 -22.564 1.815 0.249 1.00 0.00 C ATOM 850 OD1 ASP A 65 -22.025 2.903 0.373 1.00 0.00 O ATOM 851 OD2 ASP A 65 -23.721 1.664 -0.106 1.00 0.00 O ATOM 0 H ASP A 65 -19.759 0.839 1.871 1.00 0.00 H new ATOM 0 HA ASP A 65 -22.578 0.854 2.554 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -20.702 0.716 0.253 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -22.116 -0.284 -0.013 1.00 0.00 H new ATOM 856 N GLY A 66 -21.153 -2.042 2.414 1.00 0.00 N ATOM 857 CA GLY A 66 -21.415 -3.491 2.645 1.00 0.00 C ATOM 858 C GLY A 66 -21.134 -4.270 1.360 1.00 0.00 C ATOM 859 O GLY A 66 -21.862 -5.172 0.997 1.00 0.00 O ATOM 0 H GLY A 66 -20.168 -1.782 2.365 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -20.784 -3.861 3.453 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -22.449 -3.640 2.954 1.00 0.00 H new ATOM 863 N LEU A 67 -20.084 -3.929 0.666 1.00 0.00 N ATOM 864 CA LEU A 67 -19.758 -4.648 -0.597 1.00 0.00 C ATOM 865 C LEU A 67 -18.725 -5.741 -0.332 1.00 0.00 C ATOM 866 O LEU A 67 -18.848 -6.855 -0.798 1.00 0.00 O ATOM 867 CB LEU A 67 -19.175 -3.581 -1.525 1.00 0.00 C ATOM 868 CG LEU A 67 -20.128 -2.377 -1.610 1.00 0.00 C ATOM 869 CD1 LEU A 67 -19.865 -1.612 -2.907 1.00 0.00 C ATOM 870 CD2 LEU A 67 -21.586 -2.855 -1.607 1.00 0.00 C ATOM 0 H LEU A 67 -19.437 -3.182 0.919 1.00 0.00 H new ATOM 0 HA LEU A 67 -20.633 -5.133 -1.030 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -18.202 -3.259 -1.155 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -19.016 -4.000 -2.519 1.00 0.00 H new ATOM 0 HG LEU A 67 -19.956 -1.731 -0.749 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -20.540 -0.758 -2.969 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -18.833 -1.261 -2.919 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -20.034 -2.271 -3.759 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -22.251 -1.994 -1.668 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -21.757 -3.507 -2.464 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -21.787 -3.405 -0.687 1.00 0.00 H new ATOM 882 N ASP A 68 -17.702 -5.425 0.408 1.00 0.00 N ATOM 883 CA ASP A 68 -16.655 -6.440 0.698 1.00 0.00 C ATOM 884 C ASP A 68 -17.060 -7.283 1.910 1.00 0.00 C ATOM 885 O ASP A 68 -16.268 -8.028 2.453 1.00 0.00 O ATOM 886 CB ASP A 68 -15.392 -5.618 0.966 1.00 0.00 C ATOM 887 CG ASP A 68 -14.494 -6.301 2.002 1.00 0.00 C ATOM 888 OD1 ASP A 68 -13.738 -7.174 1.614 1.00 0.00 O ATOM 889 OD2 ASP A 68 -14.583 -5.939 3.163 1.00 0.00 O ATOM 0 H ASP A 68 -17.545 -4.507 0.825 1.00 0.00 H new ATOM 0 HA ASP A 68 -16.503 -7.147 -0.118 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -14.840 -5.482 0.036 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -15.670 -4.625 1.320 1.00 0.00 H new ATOM 894 N GLU A 69 -18.292 -7.184 2.324 1.00 0.00 N ATOM 895 CA GLU A 69 -18.757 -7.992 3.486 1.00 0.00 C ATOM 896 C GLU A 69 -18.156 -9.391 3.419 1.00 0.00 C ATOM 897 O GLU A 69 -17.935 -10.043 4.420 1.00 0.00 O ATOM 898 CB GLU A 69 -20.267 -8.076 3.317 1.00 0.00 C ATOM 899 CG GLU A 69 -20.598 -8.588 1.914 1.00 0.00 C ATOM 900 CD GLU A 69 -22.112 -8.541 1.699 1.00 0.00 C ATOM 901 OE1 GLU A 69 -22.691 -7.489 1.922 1.00 0.00 O ATOM 902 OE2 GLU A 69 -22.669 -9.558 1.317 1.00 0.00 O ATOM 0 H GLU A 69 -18.998 -6.578 1.907 1.00 0.00 H new ATOM 0 HA GLU A 69 -18.465 -7.553 4.440 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -20.691 -8.743 4.068 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -20.716 -7.095 3.472 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -20.094 -7.978 1.164 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -20.234 -9.608 1.792 1.00 0.00 H new ATOM 909 N ASP A 70 -17.898 -9.850 2.232 1.00 0.00 N ATOM 910 CA ASP A 70 -17.313 -11.212 2.060 1.00 0.00 C ATOM 911 C ASP A 70 -15.794 -11.166 2.243 1.00 0.00 C ATOM 912 O ASP A 70 -15.214 -12.004 2.904 1.00 0.00 O ATOM 913 CB ASP A 70 -17.667 -11.614 0.628 1.00 0.00 C ATOM 914 CG ASP A 70 -18.179 -13.054 0.616 1.00 0.00 C ATOM 915 OD1 ASP A 70 -18.957 -13.394 1.493 1.00 0.00 O ATOM 916 OD2 ASP A 70 -17.786 -13.794 -0.271 1.00 0.00 O ATOM 0 H ASP A 70 -18.067 -9.340 1.365 1.00 0.00 H new ATOM 0 HA ASP A 70 -17.698 -11.922 2.792 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -18.427 -10.943 0.228 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -16.791 -11.523 -0.014 1.00 0.00 H new ATOM 921 N GLY A 71 -15.146 -10.194 1.661 1.00 0.00 N ATOM 922 CA GLY A 71 -13.666 -10.097 1.798 1.00 0.00 C ATOM 923 C GLY A 71 -13.018 -10.212 0.419 1.00 0.00 C ATOM 924 O GLY A 71 -11.887 -10.635 0.285 1.00 0.00 O ATOM 0 H GLY A 71 -15.578 -9.463 1.096 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -13.394 -9.148 2.261 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -13.298 -10.888 2.452 1.00 0.00 H new ATOM 928 N GLU A 72 -13.729 -9.842 -0.611 1.00 0.00 N ATOM 929 CA GLU A 72 -13.156 -9.933 -1.985 1.00 0.00 C ATOM 930 C GLU A 72 -12.452 -8.625 -2.353 1.00 0.00 C ATOM 931 O GLU A 72 -11.262 -8.597 -2.593 1.00 0.00 O ATOM 932 CB GLU A 72 -14.357 -10.175 -2.901 1.00 0.00 C ATOM 933 CG GLU A 72 -14.242 -11.560 -3.540 1.00 0.00 C ATOM 934 CD GLU A 72 -14.341 -11.428 -5.062 1.00 0.00 C ATOM 935 OE1 GLU A 72 -15.406 -11.072 -5.537 1.00 0.00 O ATOM 936 OE2 GLU A 72 -13.349 -11.683 -5.725 1.00 0.00 O ATOM 0 H GLU A 72 -14.682 -9.481 -0.561 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.413 -10.726 -2.071 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -15.283 -10.102 -2.331 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -14.398 -9.408 -3.675 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -13.294 -12.022 -3.265 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -15.033 -12.211 -3.168 1.00 0.00 H new ATOM 943 N LYS A 73 -13.177 -7.541 -2.398 1.00 0.00 N ATOM 944 CA LYS A 73 -12.541 -6.238 -2.749 1.00 0.00 C ATOM 945 C LYS A 73 -11.393 -5.943 -1.779 1.00 0.00 C ATOM 946 O LYS A 73 -10.287 -5.645 -2.183 1.00 0.00 O ATOM 947 CB LYS A 73 -13.650 -5.193 -2.605 1.00 0.00 C ATOM 948 CG LYS A 73 -14.874 -5.613 -3.425 1.00 0.00 C ATOM 949 CD LYS A 73 -14.432 -6.075 -4.816 1.00 0.00 C ATOM 950 CE LYS A 73 -15.600 -5.935 -5.796 1.00 0.00 C ATOM 951 NZ LYS A 73 -15.307 -4.693 -6.565 1.00 0.00 N ATOM 0 H LYS A 73 -14.178 -7.500 -2.208 1.00 0.00 H new ATOM 0 HA LYS A 73 -12.122 -6.240 -3.755 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -13.925 -5.084 -1.556 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.291 -4.221 -2.943 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -15.405 -6.417 -2.916 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -15.569 -4.778 -3.513 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -13.585 -5.480 -5.156 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -14.098 -7.112 -4.777 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -15.669 -6.801 -6.455 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -16.551 -5.859 -5.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -16.064 -4.528 -7.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -15.253 -3.885 -5.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -14.399 -4.798 -7.061 1.00 0.00 H new ATOM 965 N GLU A 74 -11.645 -6.030 -0.499 1.00 0.00 N ATOM 966 CA GLU A 74 -10.562 -5.759 0.491 1.00 0.00 C ATOM 967 C GLU A 74 -9.411 -6.746 0.287 1.00 0.00 C ATOM 968 O GLU A 74 -8.267 -6.444 0.558 1.00 0.00 O ATOM 969 CB GLU A 74 -11.207 -5.967 1.862 1.00 0.00 C ATOM 970 CG GLU A 74 -10.130 -5.899 2.949 1.00 0.00 C ATOM 971 CD GLU A 74 -9.313 -4.617 2.778 1.00 0.00 C ATOM 972 OE1 GLU A 74 -9.906 -3.551 2.795 1.00 0.00 O ATOM 973 OE2 GLU A 74 -8.105 -4.723 2.635 1.00 0.00 O ATOM 0 H GLU A 74 -12.550 -6.276 -0.098 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.150 -4.755 0.387 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.965 -5.204 2.038 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.712 -6.932 1.895 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.592 -5.919 3.936 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.478 -6.770 2.885 1.00 0.00 H new ATOM 980 N ALA A 75 -9.709 -7.923 -0.194 1.00 0.00 N ATOM 981 CA ALA A 75 -8.630 -8.925 -0.421 1.00 0.00 C ATOM 982 C ALA A 75 -7.618 -8.374 -1.421 1.00 0.00 C ATOM 983 O ALA A 75 -6.424 -8.526 -1.259 1.00 0.00 O ATOM 984 CB ALA A 75 -9.342 -10.154 -0.991 1.00 0.00 C ATOM 0 H ALA A 75 -10.650 -8.233 -0.439 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.082 -9.165 0.490 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -8.612 -10.940 -1.186 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -10.079 -10.513 -0.273 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -9.843 -9.886 -1.921 1.00 0.00 H new ATOM 990 N ARG A 76 -8.083 -7.719 -2.451 1.00 0.00 N ATOM 991 CA ARG A 76 -7.140 -7.144 -3.449 1.00 0.00 C ATOM 992 C ARG A 76 -6.265 -6.091 -2.769 1.00 0.00 C ATOM 993 O ARG A 76 -5.116 -5.903 -3.116 1.00 0.00 O ATOM 994 CB ARG A 76 -8.024 -6.504 -4.518 1.00 0.00 C ATOM 995 CG ARG A 76 -7.149 -5.964 -5.652 1.00 0.00 C ATOM 996 CD ARG A 76 -8.034 -5.294 -6.705 1.00 0.00 C ATOM 997 NE ARG A 76 -8.249 -6.338 -7.746 1.00 0.00 N ATOM 998 CZ ARG A 76 -9.117 -6.139 -8.700 1.00 0.00 C ATOM 999 NH1 ARG A 76 -9.190 -4.975 -9.285 1.00 0.00 N ATOM 1000 NH2 ARG A 76 -9.914 -7.106 -9.068 1.00 0.00 N ATOM 0 H ARG A 76 -9.072 -7.558 -2.643 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.476 -7.893 -3.880 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.730 -7.238 -4.908 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -8.612 -5.696 -4.082 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -6.427 -5.248 -5.259 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -6.579 -6.776 -6.104 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -8.980 -4.965 -6.275 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -7.550 -4.412 -7.124 1.00 0.00 H new ATOM 0 HE ARG A 76 -7.718 -7.208 -7.713 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -8.568 -4.219 -8.997 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -9.869 -4.821 -10.031 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -9.858 -8.016 -8.610 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -10.593 -6.952 -9.813 1.00 0.00 H new ATOM 1014 N LEU A 77 -6.803 -5.409 -1.793 1.00 0.00 N ATOM 1015 CA LEU A 77 -6.002 -4.375 -1.082 1.00 0.00 C ATOM 1016 C LEU A 77 -4.904 -5.050 -0.263 1.00 0.00 C ATOM 1017 O LEU A 77 -3.772 -4.615 -0.240 1.00 0.00 O ATOM 1018 CB LEU A 77 -6.991 -3.655 -0.160 1.00 0.00 C ATOM 1019 CG LEU A 77 -8.007 -2.891 -1.005 1.00 0.00 C ATOM 1020 CD1 LEU A 77 -9.159 -2.412 -0.118 1.00 0.00 C ATOM 1021 CD2 LEU A 77 -7.340 -1.683 -1.659 1.00 0.00 C ATOM 0 H LEU A 77 -7.760 -5.524 -1.459 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.518 -3.681 -1.770 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.501 -4.376 0.478 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.458 -2.968 0.498 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.392 -3.554 -1.780 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -9.883 -1.867 -0.724 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.646 -3.272 0.342 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.770 -1.756 0.660 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -8.072 -1.144 -2.260 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.947 -1.022 -0.887 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.524 -2.020 -2.298 1.00 0.00 H new ATOM 1033 N ILE A 78 -5.237 -6.113 0.410 1.00 0.00 N ATOM 1034 CA ILE A 78 -4.220 -6.827 1.230 1.00 0.00 C ATOM 1035 C ILE A 78 -3.124 -7.396 0.321 1.00 0.00 C ATOM 1036 O ILE A 78 -1.949 -7.324 0.628 1.00 0.00 O ATOM 1037 CB ILE A 78 -4.996 -7.951 1.916 1.00 0.00 C ATOM 1038 CG1 ILE A 78 -5.952 -7.350 2.949 1.00 0.00 C ATOM 1039 CG2 ILE A 78 -4.017 -8.895 2.616 1.00 0.00 C ATOM 1040 CD1 ILE A 78 -7.031 -8.375 3.303 1.00 0.00 C ATOM 0 H ILE A 78 -6.172 -6.520 0.428 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.726 -6.176 1.951 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.566 -8.507 1.171 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.402 -7.061 3.845 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.412 -6.445 2.552 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -4.571 -9.696 3.105 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -3.334 -9.322 1.881 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.447 -8.341 3.361 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.712 -7.947 4.039 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.588 -8.642 2.405 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -6.563 -9.268 3.718 1.00 0.00 H new ATOM 1052 N ARG A 79 -3.502 -7.955 -0.797 1.00 0.00 N ATOM 1053 CA ARG A 79 -2.486 -8.524 -1.729 1.00 0.00 C ATOM 1054 C ARG A 79 -1.642 -7.402 -2.334 1.00 0.00 C ATOM 1055 O ARG A 79 -0.460 -7.558 -2.550 1.00 0.00 O ATOM 1056 CB ARG A 79 -3.293 -9.240 -2.813 1.00 0.00 C ATOM 1057 CG ARG A 79 -2.726 -10.644 -3.027 1.00 0.00 C ATOM 1058 CD ARG A 79 -3.513 -11.649 -2.183 1.00 0.00 C ATOM 1059 NE ARG A 79 -2.731 -12.914 -2.264 1.00 0.00 N ATOM 1060 CZ ARG A 79 -3.046 -13.821 -3.148 1.00 0.00 C ATOM 1061 NH1 ARG A 79 -4.201 -14.424 -3.083 1.00 0.00 N ATOM 1062 NH2 ARG A 79 -2.202 -14.125 -4.097 1.00 0.00 N ATOM 0 H ARG A 79 -4.470 -8.042 -1.105 1.00 0.00 H new ATOM 0 HA ARG A 79 -1.797 -9.203 -1.226 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.341 -9.300 -2.521 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -3.254 -8.674 -3.744 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -2.785 -10.914 -4.081 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -1.672 -10.668 -2.750 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -3.609 -11.309 -1.152 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -4.523 -11.784 -2.569 1.00 0.00 H new ATOM 0 HE ARG A 79 -1.949 -13.072 -1.628 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -4.859 -14.187 -2.341 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -4.446 -15.133 -3.775 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -1.299 -13.654 -4.146 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -2.446 -14.834 -4.789 1.00 0.00 H new ATOM 1076 N ASN A 80 -2.235 -6.267 -2.599 1.00 0.00 N ATOM 1077 CA ASN A 80 -1.444 -5.141 -3.173 1.00 0.00 C ATOM 1078 C ASN A 80 -0.415 -4.679 -2.146 1.00 0.00 C ATOM 1079 O ASN A 80 0.755 -4.540 -2.440 1.00 0.00 O ATOM 1080 CB ASN A 80 -2.458 -4.030 -3.448 1.00 0.00 C ATOM 1081 CG ASN A 80 -3.157 -4.291 -4.783 1.00 0.00 C ATOM 1082 OD1 ASN A 80 -3.533 -5.407 -5.077 1.00 0.00 O ATOM 1083 ND2 ASN A 80 -3.346 -3.298 -5.607 1.00 0.00 N ATOM 0 H ASN A 80 -3.224 -6.073 -2.444 1.00 0.00 H new ATOM 0 HA ASN A 80 -0.908 -5.424 -4.079 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -3.193 -3.987 -2.644 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -1.955 -3.063 -3.472 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -3.811 -3.458 -6.501 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -3.029 -2.361 -5.358 1.00 0.00 H new ATOM 1090 N LEU A 81 -0.842 -4.458 -0.932 1.00 0.00 N ATOM 1091 CA LEU A 81 0.113 -4.024 0.121 1.00 0.00 C ATOM 1092 C LEU A 81 1.220 -5.065 0.256 1.00 0.00 C ATOM 1093 O LEU A 81 2.374 -4.737 0.331 1.00 0.00 O ATOM 1094 CB LEU A 81 -0.707 -3.941 1.408 1.00 0.00 C ATOM 1095 CG LEU A 81 -0.457 -2.591 2.085 1.00 0.00 C ATOM 1096 CD1 LEU A 81 1.049 -2.343 2.207 1.00 0.00 C ATOM 1097 CD2 LEU A 81 -1.088 -1.478 1.248 1.00 0.00 C ATOM 0 H LEU A 81 -1.810 -4.560 -0.627 1.00 0.00 H new ATOM 0 HA LEU A 81 0.584 -3.068 -0.110 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.767 -4.057 1.184 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.432 -4.754 2.080 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.902 -2.600 3.080 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.221 -1.381 2.689 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.501 -3.135 2.805 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.498 -2.337 1.214 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.911 -0.516 1.729 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.643 -1.474 0.253 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.161 -1.650 1.164 1.00 0.00 H new ATOM 1109 N ASN A 82 0.876 -6.319 0.275 1.00 0.00 N ATOM 1110 CA ASN A 82 1.918 -7.377 0.390 1.00 0.00 C ATOM 1111 C ASN A 82 2.829 -7.345 -0.844 1.00 0.00 C ATOM 1112 O ASN A 82 4.011 -7.621 -0.769 1.00 0.00 O ATOM 1113 CB ASN A 82 1.127 -8.683 0.447 1.00 0.00 C ATOM 1114 CG ASN A 82 0.995 -9.141 1.898 1.00 0.00 C ATOM 1115 OD1 ASN A 82 1.978 -9.449 2.543 1.00 0.00 O ATOM 1116 ND2 ASN A 82 -0.188 -9.202 2.444 1.00 0.00 N ATOM 0 H ASN A 82 -0.084 -6.660 0.216 1.00 0.00 H new ATOM 0 HA ASN A 82 2.561 -7.250 1.261 1.00 0.00 H new ATOM 0 HB2 ASN A 82 0.139 -8.541 0.009 1.00 0.00 H new ATOM 0 HB3 ASN A 82 1.629 -9.450 -0.142 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -0.288 -9.508 3.412 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -1.013 -8.944 1.903 1.00 0.00 H new ATOM 1123 N VAL A 83 2.284 -6.995 -1.976 1.00 0.00 N ATOM 1124 CA VAL A 83 3.101 -6.931 -3.223 1.00 0.00 C ATOM 1125 C VAL A 83 4.157 -5.830 -3.085 1.00 0.00 C ATOM 1126 O VAL A 83 5.330 -6.040 -3.331 1.00 0.00 O ATOM 1127 CB VAL A 83 2.085 -6.609 -4.326 1.00 0.00 C ATOM 1128 CG1 VAL A 83 2.763 -5.871 -5.481 1.00 0.00 C ATOM 1129 CG2 VAL A 83 1.481 -7.914 -4.849 1.00 0.00 C ATOM 0 H VAL A 83 1.301 -6.749 -2.093 1.00 0.00 H new ATOM 0 HA VAL A 83 3.642 -7.852 -3.438 1.00 0.00 H new ATOM 0 HB VAL A 83 1.304 -5.972 -3.911 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.027 -5.651 -6.254 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.194 -4.939 -5.114 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.552 -6.496 -5.899 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.758 -7.691 -5.634 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.273 -8.545 -5.253 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.982 -8.437 -4.033 1.00 0.00 H new ATOM 1139 N ILE A 84 3.751 -4.665 -2.670 1.00 0.00 N ATOM 1140 CA ILE A 84 4.724 -3.554 -2.486 1.00 0.00 C ATOM 1141 C ILE A 84 5.697 -3.945 -1.377 1.00 0.00 C ATOM 1142 O ILE A 84 6.898 -3.895 -1.533 1.00 0.00 O ATOM 1143 CB ILE A 84 3.861 -2.356 -2.078 1.00 0.00 C ATOM 1144 CG1 ILE A 84 3.125 -1.831 -3.309 1.00 0.00 C ATOM 1145 CG2 ILE A 84 4.738 -1.243 -1.498 1.00 0.00 C ATOM 1146 CD1 ILE A 84 1.755 -1.296 -2.896 1.00 0.00 C ATOM 0 H ILE A 84 2.783 -4.433 -2.449 1.00 0.00 H new ATOM 0 HA ILE A 84 5.316 -3.329 -3.373 1.00 0.00 H new ATOM 0 HB ILE A 84 3.145 -2.672 -1.319 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.707 -1.041 -3.784 1.00 0.00 H new ATOM 0 HG13 ILE A 84 3.009 -2.628 -4.044 1.00 0.00 H new ATOM 0 HG21 ILE A 84 4.112 -0.398 -1.212 1.00 0.00 H new ATOM 0 HG22 ILE A 84 5.266 -1.616 -0.621 1.00 0.00 H new ATOM 0 HG23 ILE A 84 5.461 -0.922 -2.248 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.231 -0.922 -3.775 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.174 -2.098 -2.441 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.882 -0.487 -2.177 1.00 0.00 H new ATOM 1158 N LEU A 85 5.173 -4.366 -0.267 1.00 0.00 N ATOM 1159 CA LEU A 85 6.034 -4.801 0.860 1.00 0.00 C ATOM 1160 C LEU A 85 6.908 -5.961 0.397 1.00 0.00 C ATOM 1161 O LEU A 85 7.943 -6.243 0.964 1.00 0.00 O ATOM 1162 CB LEU A 85 5.048 -5.253 1.935 1.00 0.00 C ATOM 1163 CG LEU A 85 4.225 -4.051 2.387 1.00 0.00 C ATOM 1164 CD1 LEU A 85 3.302 -4.461 3.534 1.00 0.00 C ATOM 1165 CD2 LEU A 85 5.160 -2.944 2.849 1.00 0.00 C ATOM 0 H LEU A 85 4.170 -4.428 -0.090 1.00 0.00 H new ATOM 0 HA LEU A 85 6.701 -4.021 1.227 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.394 -6.032 1.543 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.584 -5.683 2.781 1.00 0.00 H new ATOM 0 HG LEU A 85 3.621 -3.690 1.555 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.715 -3.600 3.855 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.632 -5.252 3.197 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.900 -4.824 4.370 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.574 -2.084 3.172 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.766 -3.303 3.680 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.811 -2.650 2.026 1.00 0.00 H new ATOM 1177 N ALA A 86 6.496 -6.624 -0.648 1.00 0.00 N ATOM 1178 CA ALA A 86 7.306 -7.755 -1.181 1.00 0.00 C ATOM 1179 C ALA A 86 8.376 -7.199 -2.123 1.00 0.00 C ATOM 1180 O ALA A 86 9.439 -7.763 -2.286 1.00 0.00 O ATOM 1181 CB ALA A 86 6.315 -8.630 -1.949 1.00 0.00 C ATOM 0 H ALA A 86 5.633 -6.431 -1.156 1.00 0.00 H new ATOM 0 HA ALA A 86 7.813 -8.321 -0.399 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.839 -9.487 -2.373 1.00 0.00 H new ATOM 0 HB2 ALA A 86 5.537 -8.979 -1.271 1.00 0.00 H new ATOM 0 HB3 ALA A 86 5.862 -8.048 -2.752 1.00 0.00 H new ATOM 1187 N LYS A 87 8.092 -6.084 -2.744 1.00 0.00 N ATOM 1188 CA LYS A 87 9.073 -5.464 -3.679 1.00 0.00 C ATOM 1189 C LYS A 87 10.070 -4.599 -2.908 1.00 0.00 C ATOM 1190 O LYS A 87 11.122 -4.251 -3.404 1.00 0.00 O ATOM 1191 CB LYS A 87 8.226 -4.574 -4.584 1.00 0.00 C ATOM 1192 CG LYS A 87 9.079 -4.064 -5.744 1.00 0.00 C ATOM 1193 CD LYS A 87 8.220 -3.199 -6.670 1.00 0.00 C ATOM 1194 CE LYS A 87 8.215 -3.806 -8.074 1.00 0.00 C ATOM 1195 NZ LYS A 87 7.130 -3.088 -8.798 1.00 0.00 N ATOM 0 H LYS A 87 7.215 -5.573 -2.642 1.00 0.00 H new ATOM 0 HA LYS A 87 9.645 -6.212 -4.228 1.00 0.00 H new ATOM 0 HB2 LYS A 87 7.372 -5.134 -4.966 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.828 -3.734 -4.015 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.919 -3.484 -5.363 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.497 -4.904 -6.298 1.00 0.00 H new ATOM 0 HD2 LYS A 87 7.202 -3.136 -6.286 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.612 -2.182 -6.703 1.00 0.00 H new ATOM 0 HE2 LYS A 87 9.177 -3.669 -8.567 1.00 0.00 H new ATOM 0 HE3 LYS A 87 8.025 -4.879 -8.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 7.064 -3.449 -9.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.225 -3.243 -8.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 7.342 -2.070 -8.820 1.00 0.00 H new ATOM 1209 N TYR A 88 9.733 -4.232 -1.707 1.00 0.00 N ATOM 1210 CA TYR A 88 10.641 -3.366 -0.908 1.00 0.00 C ATOM 1211 C TYR A 88 10.846 -3.954 0.485 1.00 0.00 C ATOM 1212 O TYR A 88 11.555 -3.400 1.301 1.00 0.00 O ATOM 1213 CB TYR A 88 9.901 -2.036 -0.788 1.00 0.00 C ATOM 1214 CG TYR A 88 9.307 -1.649 -2.117 1.00 0.00 C ATOM 1215 CD1 TYR A 88 10.148 -1.306 -3.176 1.00 0.00 C ATOM 1216 CD2 TYR A 88 7.918 -1.630 -2.287 1.00 0.00 C ATOM 1217 CE1 TYR A 88 9.606 -0.946 -4.412 1.00 0.00 C ATOM 1218 CE2 TYR A 88 7.368 -1.271 -3.524 1.00 0.00 C ATOM 1219 CZ TYR A 88 8.215 -0.929 -4.589 1.00 0.00 C ATOM 1220 OH TYR A 88 7.678 -0.569 -5.809 1.00 0.00 O ATOM 0 H TYR A 88 8.864 -4.495 -1.241 1.00 0.00 H new ATOM 0 HA TYR A 88 11.622 -3.268 -1.372 1.00 0.00 H new ATOM 0 HB2 TYR A 88 9.113 -2.116 -0.039 1.00 0.00 H new ATOM 0 HB3 TYR A 88 10.586 -1.260 -0.448 1.00 0.00 H new ATOM 0 HD1 TYR A 88 11.219 -1.319 -3.040 1.00 0.00 H new ATOM 0 HD2 TYR A 88 7.270 -1.892 -1.464 1.00 0.00 H new ATOM 0 HE1 TYR A 88 10.258 -0.681 -5.231 1.00 0.00 H new ATOM 0 HE2 TYR A 88 6.296 -1.257 -3.658 1.00 0.00 H new ATOM 0 HH TYR A 88 8.366 -0.132 -6.353 1.00 0.00 H new ATOM 1230 N GLY A 89 10.216 -5.055 0.773 1.00 0.00 N ATOM 1231 CA GLY A 89 10.361 -5.648 2.129 1.00 0.00 C ATOM 1232 C GLY A 89 10.215 -4.524 3.157 1.00 0.00 C ATOM 1233 O GLY A 89 10.926 -4.470 4.141 1.00 0.00 O ATOM 0 H GLY A 89 9.610 -5.568 0.133 1.00 0.00 H new ATOM 0 HA2 GLY A 89 9.603 -6.414 2.292 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.332 -6.133 2.231 1.00 0.00 H new ATOM 1237 N LEU A 90 9.299 -3.617 2.926 1.00 0.00 N ATOM 1238 CA LEU A 90 9.107 -2.487 3.878 1.00 0.00 C ATOM 1239 C LEU A 90 8.565 -3.017 5.208 1.00 0.00 C ATOM 1240 O LEU A 90 8.906 -2.535 6.270 1.00 0.00 O ATOM 1241 CB LEU A 90 8.072 -1.581 3.208 1.00 0.00 C ATOM 1242 CG LEU A 90 8.698 -0.809 2.041 1.00 0.00 C ATOM 1243 CD1 LEU A 90 7.661 -0.657 0.920 1.00 0.00 C ATOM 1244 CD2 LEU A 90 9.118 0.580 2.513 1.00 0.00 C ATOM 0 H LEU A 90 8.677 -3.613 2.118 1.00 0.00 H new ATOM 0 HA LEU A 90 10.036 -1.959 4.092 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.237 -2.181 2.847 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.668 -0.880 3.939 1.00 0.00 H new ATOM 0 HG LEU A 90 9.569 -1.353 1.675 1.00 0.00 H new ATOM 0 HD11 LEU A 90 8.102 -0.108 0.088 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.347 -1.643 0.578 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.796 -0.111 1.296 1.00 0.00 H new ATOM 0 HD21 LEU A 90 9.563 1.128 1.682 1.00 0.00 H new ATOM 0 HD22 LEU A 90 8.244 1.120 2.877 1.00 0.00 H new ATOM 0 HD23 LEU A 90 9.847 0.486 3.317 1.00 0.00 H new