USER MOD reduce.3.24.130724 H: found=0, std=0, add=423, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 422 hydrogens (7 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 NoAdj-H: A 10 HYP H : A 10 HYP N : A 9 TYR C :(H bumps) USER MOD Set 1.1: A 1 ALA N :NH3+ 165:sc= -0.0241 (180deg=-0.276) USER MOD Set 1.2: A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 150:sc= -0.832 USER MOD Single : A 9 TYR OH : rot 135:sc= -1.3 USER MOD Single : A 10 HYP OD1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -5.92! C(o=-5.9!,f=-5.9!) USER MOD Single : A 15 ASN : amide:sc= -2.87! X(o=-2.9!,f=-2.5) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.0236) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -5.87! K(o=-5.9!,f=-2.4) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00402) USER MOD Single : A 36 LYS NZ :NH3+ -147:sc= 1.07 (180deg=-0.595) USER MOD Single : A 40 HIS : no HD1:sc= -3.11! C(o=-3.1!,f=-4.9!) USER MOD Single : A 44 GLN : amide:sc= -3.92! K(o=-3.9!,f=-0.29) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.345 K(o=-0.34,f=-2.7!) USER MOD Single : A 47 ASN : amide:sc= -0.155 K(o=-0.16,f=-1.3) USER MOD Single : A 49 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.0825) USER MOD Single : A 51 LYS NZ :NH3+ 153:sc= -0.067 (180deg=-0.382) USER MOD Single : A 53 LYS NZ :NH3+ -114:sc= 0.512 (180deg=-0.89) USER MOD Single : A 54 LYS NZ :NH3+ -149:sc= 0.224 (180deg=-0.205) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -13.642 -6.733 -7.112 1.00 0.00 N ATOM 2 CA ALA A 1 -12.232 -6.783 -6.615 1.00 0.00 C ATOM 3 C ALA A 1 -11.309 -6.030 -7.591 1.00 0.00 C ATOM 4 O ALA A 1 -10.194 -6.432 -7.864 1.00 0.00 O ATOM 5 CB ALA A 1 -11.781 -8.254 -6.497 1.00 0.00 C ATOM 0 H1 ALA A 1 -14.214 -7.440 -6.606 1.00 0.00 H new ATOM 0 H2 ALA A 1 -14.036 -5.785 -6.945 1.00 0.00 H new ATOM 0 H3 ALA A 1 -13.658 -6.940 -8.131 1.00 0.00 H new ATOM 0 HA ALA A 1 -12.176 -6.308 -5.635 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -10.754 -8.292 -6.135 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -12.432 -8.779 -5.798 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -11.839 -8.732 -7.475 1.00 0.00 H new ATOM 13 N SER A 2 -11.819 -4.941 -8.087 1.00 0.00 N ATOM 14 CA SER A 2 -11.060 -4.090 -9.052 1.00 0.00 C ATOM 15 C SER A 2 -10.690 -2.758 -8.374 1.00 0.00 C ATOM 16 O SER A 2 -11.420 -2.296 -7.519 1.00 0.00 O ATOM 17 CB SER A 2 -11.954 -3.848 -10.303 1.00 0.00 C ATOM 18 OG SER A 2 -12.972 -4.849 -10.243 1.00 0.00 O ATOM 0 H SER A 2 -12.751 -4.594 -7.861 1.00 0.00 H new ATOM 0 HA SER A 2 -10.139 -4.583 -9.361 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.386 -2.847 -10.289 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.374 -3.932 -11.222 1.00 0.00 H new ATOM 0 HG SER A 2 -13.575 -4.749 -11.009 1.00 0.00 H new ATOM 24 N ALA A 3 -9.570 -2.204 -8.781 1.00 0.00 N ATOM 25 CA ALA A 3 -9.034 -0.903 -8.242 1.00 0.00 C ATOM 26 C ALA A 3 -10.066 -0.006 -7.527 1.00 0.00 C ATOM 27 O ALA A 3 -10.753 0.781 -8.150 1.00 0.00 O ATOM 28 CB ALA A 3 -8.403 -0.126 -9.416 1.00 0.00 C ATOM 0 H ALA A 3 -8.977 -2.620 -9.499 1.00 0.00 H new ATOM 0 HA ALA A 3 -8.309 -1.164 -7.471 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -8.006 0.822 -9.053 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -7.595 -0.715 -9.850 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -9.161 0.065 -10.175 1.00 0.00 H new ATOM 34 N THR A 4 -10.146 -0.150 -6.232 1.00 0.00 N ATOM 35 CA THR A 4 -11.108 0.661 -5.435 1.00 0.00 C ATOM 36 C THR A 4 -10.364 1.409 -4.306 1.00 0.00 C ATOM 37 O THR A 4 -9.780 0.805 -3.426 1.00 0.00 O ATOM 38 CB THR A 4 -12.186 -0.340 -4.920 1.00 0.00 C ATOM 39 OG1 THR A 4 -13.067 0.428 -4.113 1.00 0.00 O ATOM 40 CG2 THR A 4 -11.631 -1.414 -3.966 1.00 0.00 C ATOM 0 H THR A 4 -9.580 -0.801 -5.688 1.00 0.00 H new ATOM 0 HA THR A 4 -11.593 1.443 -6.020 1.00 0.00 H new ATOM 0 HB THR A 4 -12.623 -0.832 -5.789 1.00 0.00 H new ATOM 0 HG1 THR A 4 -13.967 0.041 -4.152 1.00 0.00 H new ATOM 0 HG21 THR A 4 -12.440 -2.073 -3.650 1.00 0.00 H new ATOM 0 HG22 THR A 4 -10.867 -1.997 -4.480 1.00 0.00 H new ATOM 0 HG23 THR A 4 -11.193 -0.933 -3.092 1.00 0.00 H new ATOM 48 N TRP A 5 -10.389 2.713 -4.363 1.00 0.00 N ATOM 49 CA TRP A 5 -9.711 3.539 -3.327 1.00 0.00 C ATOM 50 C TRP A 5 -10.753 4.576 -2.913 1.00 0.00 C ATOM 51 O TRP A 5 -11.157 5.412 -3.695 1.00 0.00 O ATOM 52 CB TRP A 5 -8.450 4.154 -3.967 1.00 0.00 C ATOM 53 CG TRP A 5 -7.306 3.176 -3.652 1.00 0.00 C ATOM 54 CD1 TRP A 5 -6.700 2.292 -4.511 1.00 0.00 C ATOM 55 CD2 TRP A 5 -6.690 2.980 -2.435 1.00 0.00 C ATOM 56 NE1 TRP A 5 -5.779 1.589 -3.908 1.00 0.00 N ATOM 57 CE2 TRP A 5 -5.750 1.979 -2.660 1.00 0.00 C ATOM 58 CE3 TRP A 5 -6.816 3.530 -1.159 1.00 0.00 C ATOM 59 CZ2 TRP A 5 -4.940 1.528 -1.621 1.00 0.00 C ATOM 60 CZ3 TRP A 5 -6.006 3.080 -0.115 1.00 0.00 C ATOM 61 CH2 TRP A 5 -5.066 2.077 -0.349 1.00 0.00 C ATOM 0 H TRP A 5 -10.858 3.247 -5.095 1.00 0.00 H new ATOM 0 HA TRP A 5 -9.376 2.991 -2.447 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -8.576 4.276 -5.043 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -8.245 5.143 -3.556 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -6.954 2.191 -5.556 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -5.192 0.870 -4.331 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -7.544 4.307 -0.978 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -4.213 0.751 -1.803 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -6.107 3.508 0.872 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -4.437 1.727 0.456 1.00 0.00 H new ATOM 72 N GLY A 6 -11.150 4.470 -1.676 1.00 0.00 N ATOM 73 CA GLY A 6 -12.173 5.396 -1.109 1.00 0.00 C ATOM 74 C GLY A 6 -13.330 4.533 -0.598 1.00 0.00 C ATOM 75 O GLY A 6 -14.093 4.969 0.235 1.00 0.00 O ATOM 0 H GLY A 6 -10.803 3.769 -1.022 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -11.748 5.989 -0.299 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -12.521 6.096 -1.868 1.00 0.00 H new ATOM 79 N ALA A 7 -13.429 3.329 -1.112 1.00 0.00 N ATOM 80 CA ALA A 7 -14.535 2.412 -0.663 1.00 0.00 C ATOM 81 C ALA A 7 -14.108 1.528 0.527 1.00 0.00 C ATOM 82 O ALA A 7 -14.882 0.750 1.044 1.00 0.00 O ATOM 83 CB ALA A 7 -14.938 1.518 -1.835 1.00 0.00 C ATOM 0 H ALA A 7 -12.801 2.942 -1.816 1.00 0.00 H new ATOM 0 HA ALA A 7 -15.373 3.027 -0.334 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -15.739 0.848 -1.523 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -15.284 2.137 -2.663 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -14.078 0.930 -2.157 1.00 0.00 H new ATOM 89 N ALA A 8 -12.868 1.670 0.916 1.00 0.00 N ATOM 90 CA ALA A 8 -12.317 0.878 2.062 1.00 0.00 C ATOM 91 C ALA A 8 -12.218 1.649 3.395 1.00 0.00 C ATOM 92 O ALA A 8 -12.159 1.028 4.436 1.00 0.00 O ATOM 93 CB ALA A 8 -10.918 0.365 1.668 1.00 0.00 C ATOM 0 H ALA A 8 -12.202 2.310 0.483 1.00 0.00 H new ATOM 0 HA ALA A 8 -13.022 0.067 2.245 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.498 -0.215 2.490 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.998 -0.266 0.782 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.267 1.212 1.453 1.00 0.00 H new ATOM 99 N TYR A 9 -12.196 2.958 3.344 1.00 0.00 N ATOM 100 CA TYR A 9 -12.090 3.787 4.599 1.00 0.00 C ATOM 101 C TYR A 9 -13.341 4.500 5.218 1.00 0.00 C ATOM 102 O TYR A 9 -13.206 5.632 5.645 1.00 0.00 O ATOM 103 CB TYR A 9 -10.935 4.817 4.308 1.00 0.00 C ATOM 104 CG TYR A 9 -11.402 6.182 3.755 1.00 0.00 C ATOM 105 CD1 TYR A 9 -12.088 6.338 2.562 1.00 0.00 C ATOM 106 CD2 TYR A 9 -11.114 7.303 4.495 1.00 0.00 C ATOM 107 CE1 TYR A 9 -12.471 7.603 2.137 1.00 0.00 C ATOM 108 CE2 TYR A 9 -11.496 8.544 4.068 1.00 0.00 C ATOM 109 CZ TYR A 9 -12.173 8.723 2.893 1.00 0.00 C ATOM 110 OH TYR A 9 -12.526 10.009 2.516 1.00 0.00 O ATOM 0 H TYR A 9 -12.247 3.499 2.481 1.00 0.00 H new ATOM 0 HA TYR A 9 -11.916 3.068 5.399 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -10.379 4.986 5.230 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -10.242 4.371 3.595 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -12.326 5.473 1.961 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -10.578 7.202 5.427 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -13.007 7.714 1.206 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -11.257 9.405 4.674 1.00 0.00 H new ATOM 0 HH TYR A 9 -12.901 10.485 3.287 1.00 0.00 H new HETATM 120 N HYP A 10 -14.503 3.899 5.292 1.00 0.00 N HETATM 121 CA HYP A 10 -15.777 4.630 5.592 1.00 0.00 C HETATM 122 C HYP A 10 -15.938 5.172 7.047 1.00 0.00 C HETATM 123 O HYP A 10 -16.844 4.824 7.780 1.00 0.00 O HETATM 124 CB HYP A 10 -16.935 3.672 5.231 1.00 0.00 C HETATM 125 CG HYP A 10 -16.290 2.298 5.018 1.00 0.00 C HETATM 126 CD HYP A 10 -14.773 2.444 5.108 1.00 0.00 C HETATM 127 OD1 HYP A 10 -16.539 2.043 3.643 1.00 0.00 O HETATM 0 HD23 HYP A 10 -14.292 2.071 4.204 1.00 0.00 H new HETATM 0 HD22 HYP A 10 -14.376 1.866 5.942 1.00 0.00 H new HETATM 0 HG HYP A 10 -16.655 1.552 5.725 1.00 0.00 H new HETATM 0 HD1 HYP A 10 -16.159 1.174 3.398 1.00 0.00 H new HETATM 0 HB3 HYP A 10 -17.676 3.636 6.029 1.00 0.00 H new HETATM 0 HB2 HYP A 10 -17.452 4.005 4.331 1.00 0.00 H new HETATM 0 HA HYP A 10 -15.774 5.542 4.994 1.00 0.00 H new ATOM 135 N ALA A 11 -15.036 6.029 7.436 1.00 0.00 N ATOM 136 CA ALA A 11 -15.056 6.644 8.796 1.00 0.00 C ATOM 137 C ALA A 11 -14.966 8.143 8.537 1.00 0.00 C ATOM 138 O ALA A 11 -15.961 8.841 8.609 1.00 0.00 O ATOM 139 CB ALA A 11 -13.839 6.150 9.619 1.00 0.00 C ATOM 0 H ALA A 11 -14.261 6.339 6.850 1.00 0.00 H new ATOM 0 HA ALA A 11 -15.946 6.381 9.367 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -13.862 6.604 10.610 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -13.881 5.065 9.716 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -12.917 6.433 9.111 1.00 0.00 H new ATOM 145 N CYS A 12 -13.765 8.573 8.224 1.00 0.00 N ATOM 146 CA CYS A 12 -13.508 10.027 7.936 1.00 0.00 C ATOM 147 C CYS A 12 -14.524 10.585 6.951 1.00 0.00 C ATOM 148 O CYS A 12 -14.856 11.744 7.032 1.00 0.00 O ATOM 149 CB CYS A 12 -12.124 10.264 7.307 1.00 0.00 C ATOM 150 SG CYS A 12 -11.712 11.991 6.936 1.00 0.00 S ATOM 0 H CYS A 12 -12.942 7.974 8.155 1.00 0.00 H new ATOM 0 HA CYS A 12 -13.576 10.525 8.903 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -11.366 9.866 7.982 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -12.062 9.689 6.383 1.00 0.00 H new ATOM 155 N GLU A 13 -14.996 9.768 6.051 1.00 0.00 N ATOM 156 CA GLU A 13 -15.997 10.270 5.054 1.00 0.00 C ATOM 157 C GLU A 13 -17.410 9.817 5.404 1.00 0.00 C ATOM 158 O GLU A 13 -18.359 10.260 4.798 1.00 0.00 O ATOM 159 CB GLU A 13 -15.615 9.742 3.655 1.00 0.00 C ATOM 160 CG GLU A 13 -15.721 10.886 2.590 1.00 0.00 C ATOM 161 CD GLU A 13 -17.085 10.847 1.871 1.00 0.00 C ATOM 162 OE1 GLU A 13 -17.201 9.961 1.039 1.00 0.00 O ATOM 163 OE2 GLU A 13 -17.910 11.686 2.187 1.00 0.00 O ATOM 0 H GLU A 13 -14.739 8.785 5.958 1.00 0.00 H new ATOM 0 HA GLU A 13 -15.984 11.360 5.067 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -14.599 9.347 3.674 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -16.272 8.918 3.379 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.589 11.853 3.075 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -14.918 10.784 1.860 1.00 0.00 H new ATOM 170 N ASN A 14 -17.549 8.940 6.360 1.00 0.00 N ATOM 171 CA ASN A 14 -18.935 8.486 6.715 1.00 0.00 C ATOM 172 C ASN A 14 -19.479 9.375 7.820 1.00 0.00 C ATOM 173 O ASN A 14 -20.663 9.645 7.881 1.00 0.00 O ATOM 174 CB ASN A 14 -18.874 7.020 7.153 1.00 0.00 C ATOM 175 CG ASN A 14 -18.823 6.179 5.872 1.00 0.00 C ATOM 176 OD1 ASN A 14 -19.455 5.154 5.749 1.00 0.00 O ATOM 177 ND2 ASN A 14 -18.080 6.585 4.875 1.00 0.00 N ATOM 0 H ASN A 14 -16.790 8.525 6.901 1.00 0.00 H new ATOM 0 HA ASN A 14 -19.603 8.563 5.857 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -17.995 6.837 7.771 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -19.746 6.759 7.753 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -18.041 6.040 4.013 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -17.540 7.446 4.959 1.00 0.00 H new ATOM 184 N ASN A 15 -18.597 9.813 8.673 1.00 0.00 N ATOM 185 CA ASN A 15 -18.974 10.703 9.813 1.00 0.00 C ATOM 186 C ASN A 15 -19.799 11.857 9.243 1.00 0.00 C ATOM 187 O ASN A 15 -20.818 12.212 9.792 1.00 0.00 O ATOM 188 CB ASN A 15 -17.659 11.198 10.508 1.00 0.00 C ATOM 189 CG ASN A 15 -17.135 12.495 9.879 1.00 0.00 C ATOM 190 OD1 ASN A 15 -17.573 13.574 10.213 1.00 0.00 O ATOM 191 ND2 ASN A 15 -16.215 12.451 8.967 1.00 0.00 N ATOM 0 H ASN A 15 -17.603 9.587 8.629 1.00 0.00 H new ATOM 0 HA ASN A 15 -19.572 10.187 10.564 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -17.848 11.359 11.569 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -16.895 10.424 10.434 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -15.873 13.315 8.545 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -15.833 11.553 8.671 1.00 0.00 H new ATOM 198 N CYS A 16 -19.319 12.369 8.142 1.00 0.00 N ATOM 199 CA CYS A 16 -19.964 13.500 7.424 1.00 0.00 C ATOM 200 C CYS A 16 -21.247 13.068 6.727 1.00 0.00 C ATOM 201 O CYS A 16 -22.089 13.895 6.441 1.00 0.00 O ATOM 202 CB CYS A 16 -19.009 14.048 6.374 1.00 0.00 C ATOM 203 SG CYS A 16 -17.409 14.724 6.890 1.00 0.00 S ATOM 0 H CYS A 16 -18.467 12.031 7.694 1.00 0.00 H new ATOM 0 HA CYS A 16 -20.208 14.262 8.164 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -18.811 13.246 5.662 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -19.536 14.833 5.831 1.00 0.00 H new ATOM 208 N ARG A 17 -21.388 11.793 6.469 1.00 0.00 N ATOM 209 CA ARG A 17 -22.642 11.355 5.778 1.00 0.00 C ATOM 210 C ARG A 17 -23.680 11.341 6.890 1.00 0.00 C ATOM 211 O ARG A 17 -24.750 11.903 6.741 1.00 0.00 O ATOM 212 CB ARG A 17 -22.423 9.949 5.161 1.00 0.00 C ATOM 213 CG ARG A 17 -23.788 9.243 4.880 1.00 0.00 C ATOM 214 CD ARG A 17 -23.727 8.443 3.563 1.00 0.00 C ATOM 215 NE ARG A 17 -23.211 7.067 3.849 1.00 0.00 N ATOM 216 CZ ARG A 17 -22.073 6.667 3.352 1.00 0.00 C ATOM 217 NH1 ARG A 17 -21.799 6.918 2.106 1.00 0.00 N ATOM 218 NH2 ARG A 17 -21.253 6.026 4.124 1.00 0.00 N ATOM 0 H ARG A 17 -20.718 11.058 6.696 1.00 0.00 H new ATOM 0 HA ARG A 17 -22.949 12.000 4.955 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -21.858 10.039 4.233 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -21.827 9.339 5.839 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -24.035 8.575 5.706 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -24.583 9.987 4.823 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -24.717 8.387 3.111 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -23.078 8.947 2.847 1.00 0.00 H new ATOM 0 HE ARG A 17 -23.754 6.436 4.438 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -22.471 7.423 1.528 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -20.912 6.610 1.707 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -21.504 5.845 5.096 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -20.357 5.703 3.760 1.00 0.00 H new ATOM 232 N LYS A 18 -23.332 10.704 7.980 1.00 0.00 N ATOM 233 CA LYS A 18 -24.291 10.656 9.124 1.00 0.00 C ATOM 234 C LYS A 18 -24.544 12.140 9.436 1.00 0.00 C ATOM 235 O LYS A 18 -25.679 12.565 9.518 1.00 0.00 O ATOM 236 CB LYS A 18 -23.629 9.909 10.316 1.00 0.00 C ATOM 237 CG LYS A 18 -24.422 8.594 10.544 1.00 0.00 C ATOM 238 CD LYS A 18 -24.011 7.913 11.872 1.00 0.00 C ATOM 239 CE LYS A 18 -25.193 7.066 12.403 1.00 0.00 C ATOM 240 NZ LYS A 18 -24.691 5.946 13.250 1.00 0.00 N ATOM 0 H LYS A 18 -22.444 10.224 8.126 1.00 0.00 H new ATOM 0 HA LYS A 18 -25.219 10.125 8.915 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -22.583 9.693 10.099 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -23.647 10.528 11.213 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -25.491 8.809 10.558 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -24.245 7.911 9.713 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -23.138 7.280 11.714 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -23.730 8.666 12.608 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -25.868 7.695 12.984 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -25.768 6.668 11.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -25.496 5.387 13.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -24.065 5.337 12.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -24.162 6.332 14.058 1.00 0.00 H new ATOM 254 N LYS A 19 -23.474 12.881 9.598 1.00 0.00 N ATOM 255 CA LYS A 19 -23.559 14.349 9.891 1.00 0.00 C ATOM 256 C LYS A 19 -24.625 14.965 8.977 1.00 0.00 C ATOM 257 O LYS A 19 -25.572 15.559 9.443 1.00 0.00 O ATOM 258 CB LYS A 19 -22.176 15.006 9.625 1.00 0.00 C ATOM 259 CG LYS A 19 -21.838 16.045 10.695 1.00 0.00 C ATOM 260 CD LYS A 19 -22.668 17.337 10.498 1.00 0.00 C ATOM 261 CE LYS A 19 -22.730 18.092 11.832 1.00 0.00 C ATOM 262 NZ LYS A 19 -23.773 17.487 12.707 1.00 0.00 N ATOM 0 H LYS A 19 -22.522 12.521 9.538 1.00 0.00 H new ATOM 0 HA LYS A 19 -23.831 14.516 10.933 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -21.404 14.237 9.605 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -22.179 15.480 8.643 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -22.034 15.630 11.684 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -20.775 16.282 10.653 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -22.214 17.964 9.730 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -23.673 17.091 10.156 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -21.760 18.054 12.327 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -22.956 19.143 11.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -23.521 17.639 13.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -24.692 17.932 12.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -23.836 16.466 12.518 1.00 0.00 H new ATOM 276 N TYR A 20 -24.453 14.798 7.694 1.00 0.00 N ATOM 277 CA TYR A 20 -25.429 15.352 6.711 1.00 0.00 C ATOM 278 C TYR A 20 -26.835 14.857 7.052 1.00 0.00 C ATOM 279 O TYR A 20 -27.792 15.604 7.022 1.00 0.00 O ATOM 280 CB TYR A 20 -24.937 14.899 5.295 1.00 0.00 C ATOM 281 CG TYR A 20 -26.051 14.456 4.330 1.00 0.00 C ATOM 282 CD1 TYR A 20 -27.083 15.300 3.985 1.00 0.00 C ATOM 283 CD2 TYR A 20 -26.013 13.192 3.774 1.00 0.00 C ATOM 284 CE1 TYR A 20 -28.056 14.892 3.099 1.00 0.00 C ATOM 285 CE2 TYR A 20 -26.987 12.788 2.889 1.00 0.00 C ATOM 286 CZ TYR A 20 -28.013 13.631 2.545 1.00 0.00 C ATOM 287 OH TYR A 20 -28.970 13.211 1.648 1.00 0.00 O ATOM 0 H TYR A 20 -23.668 14.295 7.280 1.00 0.00 H new ATOM 0 HA TYR A 20 -25.483 16.440 6.736 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -24.387 15.722 4.838 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -24.234 14.075 5.418 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -27.130 16.291 4.413 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -25.213 12.515 4.036 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -28.858 15.566 2.837 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -26.943 11.797 2.461 1.00 0.00 H new ATOM 0 HH TYR A 20 -28.773 12.294 1.365 1.00 0.00 H new ATOM 297 N ASP A 21 -26.940 13.610 7.390 1.00 0.00 N ATOM 298 CA ASP A 21 -28.273 13.034 7.738 1.00 0.00 C ATOM 299 C ASP A 21 -28.731 13.463 9.132 1.00 0.00 C ATOM 300 O ASP A 21 -29.884 13.293 9.474 1.00 0.00 O ATOM 301 CB ASP A 21 -28.145 11.530 7.666 1.00 0.00 C ATOM 302 CG ASP A 21 -28.705 11.021 6.330 1.00 0.00 C ATOM 303 OD1 ASP A 21 -27.935 11.069 5.382 1.00 0.00 O ATOM 304 OD2 ASP A 21 -29.859 10.614 6.323 1.00 0.00 O ATOM 0 H ASP A 21 -26.159 12.956 7.443 1.00 0.00 H new ATOM 0 HA ASP A 21 -29.025 13.399 7.038 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -27.099 11.240 7.766 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -28.684 11.070 8.495 1.00 0.00 H new ATOM 309 N LEU A 22 -27.824 14.010 9.895 1.00 0.00 N ATOM 310 CA LEU A 22 -28.155 14.472 11.281 1.00 0.00 C ATOM 311 C LEU A 22 -28.210 16.005 11.367 1.00 0.00 C ATOM 312 O LEU A 22 -28.728 16.563 12.314 1.00 0.00 O ATOM 313 CB LEU A 22 -27.075 13.913 12.229 1.00 0.00 C ATOM 314 CG LEU A 22 -27.303 12.381 12.416 1.00 0.00 C ATOM 315 CD1 LEU A 22 -25.953 11.634 12.625 1.00 0.00 C ATOM 316 CD2 LEU A 22 -28.231 12.158 13.629 1.00 0.00 C ATOM 0 H LEU A 22 -26.854 14.160 9.616 1.00 0.00 H new ATOM 0 HA LEU A 22 -29.142 14.108 11.565 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -26.082 14.098 11.819 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -27.121 14.420 13.193 1.00 0.00 H new ATOM 0 HG LEU A 22 -27.767 11.978 11.515 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -26.143 10.568 12.753 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -25.314 11.787 11.755 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -25.456 12.023 13.514 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -28.397 11.090 13.769 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -27.767 12.573 14.524 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -29.186 12.653 13.453 1.00 0.00 H new ATOM 328 N CYS A 23 -27.679 16.642 10.363 1.00 0.00 N ATOM 329 CA CYS A 23 -27.662 18.134 10.321 1.00 0.00 C ATOM 330 C CYS A 23 -28.946 18.646 9.681 1.00 0.00 C ATOM 331 O CYS A 23 -29.291 19.803 9.830 1.00 0.00 O ATOM 332 CB CYS A 23 -26.423 18.593 9.500 1.00 0.00 C ATOM 333 SG CYS A 23 -26.578 19.993 8.355 1.00 0.00 S ATOM 0 H CYS A 23 -27.249 16.188 9.557 1.00 0.00 H new ATOM 0 HA CYS A 23 -27.599 18.539 11.331 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -25.633 18.838 10.210 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -26.078 17.735 8.922 1.00 0.00 H new ATOM 338 N ILE A 24 -29.615 17.754 8.996 1.00 0.00 N ATOM 339 CA ILE A 24 -30.892 18.114 8.305 1.00 0.00 C ATOM 340 C ILE A 24 -32.048 18.332 9.304 1.00 0.00 C ATOM 341 O ILE A 24 -33.062 17.662 9.385 1.00 0.00 O ATOM 342 CB ILE A 24 -31.102 16.942 7.230 1.00 0.00 C ATOM 343 CG1 ILE A 24 -30.893 17.558 5.836 1.00 0.00 C ATOM 344 CG2 ILE A 24 -32.482 16.273 7.200 1.00 0.00 C ATOM 345 CD1 ILE A 24 -30.187 16.553 4.916 1.00 0.00 C ATOM 0 H ILE A 24 -29.329 16.781 8.884 1.00 0.00 H new ATOM 0 HA ILE A 24 -30.861 19.077 7.795 1.00 0.00 H new ATOM 0 HB ILE A 24 -30.394 16.164 7.516 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -31.854 17.842 5.408 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -30.299 18.468 5.917 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -32.495 15.499 6.432 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -32.690 15.824 8.171 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -33.244 17.020 6.975 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -30.044 16.999 3.932 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -29.218 16.290 5.340 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -30.797 15.655 4.822 1.00 0.00 H new ATOM 357 N ARG A 25 -31.852 19.356 10.080 1.00 0.00 N ATOM 358 CA ARG A 25 -32.830 19.747 11.114 1.00 0.00 C ATOM 359 C ARG A 25 -33.884 20.615 10.440 1.00 0.00 C ATOM 360 O ARG A 25 -34.162 21.715 10.877 1.00 0.00 O ATOM 361 CB ARG A 25 -32.099 20.533 12.207 1.00 0.00 C ATOM 362 CG ARG A 25 -31.000 19.682 12.884 1.00 0.00 C ATOM 363 CD ARG A 25 -31.576 18.480 13.667 1.00 0.00 C ATOM 364 NE ARG A 25 -31.344 17.237 12.867 1.00 0.00 N ATOM 365 CZ ARG A 25 -32.267 16.314 12.809 1.00 0.00 C ATOM 366 NH1 ARG A 25 -32.271 15.383 13.721 1.00 0.00 N ATOM 367 NH2 ARG A 25 -33.148 16.354 11.851 1.00 0.00 N ATOM 0 H ARG A 25 -31.027 19.954 10.035 1.00 0.00 H new ATOM 0 HA ARG A 25 -33.305 18.878 11.570 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -31.652 21.428 11.775 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -32.816 20.866 12.958 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -30.308 19.318 12.124 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -30.425 20.311 13.563 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -31.096 18.398 14.642 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -32.642 18.621 13.847 1.00 0.00 H new ATOM 0 HE ARG A 25 -30.464 17.110 12.366 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -31.565 15.387 14.457 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -32.981 14.651 13.699 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -33.113 17.100 11.156 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -33.873 15.639 11.795 1.00 0.00 H new ATOM 381 N CYS A 26 -34.466 20.084 9.389 1.00 0.00 N ATOM 382 CA CYS A 26 -35.523 20.855 8.654 1.00 0.00 C ATOM 383 C CYS A 26 -36.737 21.106 9.568 1.00 0.00 C ATOM 384 O CYS A 26 -37.765 21.599 9.147 1.00 0.00 O ATOM 385 CB CYS A 26 -35.983 20.087 7.439 1.00 0.00 C ATOM 386 SG CYS A 26 -34.770 19.704 6.147 1.00 0.00 S ATOM 0 H CYS A 26 -34.258 19.160 9.011 1.00 0.00 H new ATOM 0 HA CYS A 26 -35.092 21.808 8.346 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -36.408 19.145 7.784 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -36.792 20.652 6.977 1.00 0.00 H new ATOM 391 N GLN A 27 -36.585 20.745 10.817 1.00 0.00 N ATOM 392 CA GLN A 27 -37.647 20.917 11.820 1.00 0.00 C ATOM 393 C GLN A 27 -37.043 21.804 12.909 1.00 0.00 C ATOM 394 O GLN A 27 -35.852 21.733 13.151 1.00 0.00 O ATOM 395 CB GLN A 27 -38.060 19.572 12.450 1.00 0.00 C ATOM 396 CG GLN A 27 -36.831 18.783 12.976 1.00 0.00 C ATOM 397 CD GLN A 27 -36.387 17.779 11.915 1.00 0.00 C ATOM 398 OE1 GLN A 27 -35.876 16.720 12.204 1.00 0.00 O ATOM 399 NE2 GLN A 27 -36.567 18.088 10.664 1.00 0.00 N ATOM 0 H GLN A 27 -35.731 20.324 11.183 1.00 0.00 H new ATOM 0 HA GLN A 27 -38.537 21.346 11.360 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -38.755 19.752 13.270 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -38.589 18.971 11.710 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -36.016 19.469 13.209 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -37.085 18.265 13.901 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -36.997 18.979 10.416 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -36.278 17.439 9.932 1.00 0.00 H new ATOM 408 N GLY A 28 -37.859 22.598 13.544 1.00 0.00 N ATOM 409 CA GLY A 28 -37.348 23.499 14.625 1.00 0.00 C ATOM 410 C GLY A 28 -36.200 24.380 14.106 1.00 0.00 C ATOM 411 O GLY A 28 -36.426 25.483 13.648 1.00 0.00 O ATOM 0 H GLY A 28 -38.861 22.665 13.364 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -38.158 24.129 14.992 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -37.001 22.902 15.468 1.00 0.00 H new ATOM 415 N LYS A 29 -35.003 23.857 14.188 1.00 0.00 N ATOM 416 CA LYS A 29 -33.774 24.581 13.729 1.00 0.00 C ATOM 417 C LYS A 29 -34.029 25.236 12.364 1.00 0.00 C ATOM 418 O LYS A 29 -33.750 26.400 12.164 1.00 0.00 O ATOM 419 CB LYS A 29 -32.644 23.559 13.646 1.00 0.00 C ATOM 420 CG LYS A 29 -31.324 24.221 13.209 1.00 0.00 C ATOM 421 CD LYS A 29 -30.105 23.498 13.828 1.00 0.00 C ATOM 422 CE LYS A 29 -29.232 24.514 14.585 1.00 0.00 C ATOM 423 NZ LYS A 29 -27.804 24.109 14.513 1.00 0.00 N ATOM 0 H LYS A 29 -34.820 22.928 14.566 1.00 0.00 H new ATOM 0 HA LYS A 29 -33.505 25.375 14.426 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -32.510 23.081 14.617 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -32.912 22.774 12.939 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -31.247 24.203 12.122 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -31.321 25.268 13.512 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -30.441 22.714 14.507 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -29.521 23.013 13.046 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -29.359 25.507 14.155 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -29.549 24.575 15.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -27.221 24.800 15.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -27.687 23.170 14.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -27.503 24.073 13.518 1.00 0.00 H new ATOM 437 N TRP A 30 -34.556 24.462 11.452 1.00 0.00 N ATOM 438 CA TRP A 30 -34.852 25.003 10.090 1.00 0.00 C ATOM 439 C TRP A 30 -36.379 25.065 9.950 1.00 0.00 C ATOM 440 O TRP A 30 -36.915 24.660 8.940 1.00 0.00 O ATOM 441 CB TRP A 30 -34.280 24.084 9.016 1.00 0.00 C ATOM 442 CG TRP A 30 -32.760 24.109 8.962 1.00 0.00 C ATOM 443 CD1 TRP A 30 -31.973 23.604 9.921 1.00 0.00 C ATOM 444 CD2 TRP A 30 -31.895 24.588 8.017 1.00 0.00 C ATOM 445 NE1 TRP A 30 -30.701 23.729 9.659 1.00 0.00 N ATOM 446 CE2 TRP A 30 -30.612 24.328 8.501 1.00 0.00 C ATOM 447 CE3 TRP A 30 -32.056 25.190 6.790 1.00 0.00 C ATOM 448 CZ2 TRP A 30 -29.500 24.689 7.737 1.00 0.00 C ATOM 449 CZ3 TRP A 30 -30.965 25.546 6.030 1.00 0.00 C ATOM 450 CH2 TRP A 30 -29.684 25.302 6.495 1.00 0.00 C ATOM 0 H TRP A 30 -34.794 23.480 11.590 1.00 0.00 H new ATOM 0 HA TRP A 30 -34.402 25.988 9.967 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -34.615 23.064 9.202 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -34.678 24.378 8.045 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -32.353 23.141 10.820 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -29.926 23.419 10.245 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -33.051 25.386 6.419 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -28.503 24.495 8.104 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -31.109 26.017 5.069 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -28.829 25.585 5.899 1.00 0.00 H new ATOM 461 N ALA A 31 -37.046 25.557 10.960 1.00 0.00 N ATOM 462 CA ALA A 31 -38.542 25.680 10.966 1.00 0.00 C ATOM 463 C ALA A 31 -39.134 26.389 9.737 1.00 0.00 C ATOM 464 O ALA A 31 -39.558 27.529 9.793 1.00 0.00 O ATOM 465 CB ALA A 31 -38.954 26.429 12.251 1.00 0.00 C ATOM 0 H ALA A 31 -36.602 25.892 11.815 1.00 0.00 H new ATOM 0 HA ALA A 31 -38.945 24.668 10.932 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -40.039 26.532 12.280 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -38.619 25.867 13.123 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -38.495 27.418 12.259 1.00 0.00 H new ATOM 471 N GLY A 32 -39.130 25.661 8.660 1.00 0.00 N ATOM 472 CA GLY A 32 -39.668 26.189 7.381 1.00 0.00 C ATOM 473 C GLY A 32 -38.539 26.336 6.388 1.00 0.00 C ATOM 474 O GLY A 32 -38.750 26.498 5.205 1.00 0.00 O ATOM 0 H GLY A 32 -38.771 24.708 8.611 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -40.429 25.515 6.987 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -40.150 27.152 7.546 1.00 0.00 H new ATOM 478 N LYS A 33 -37.342 26.253 6.891 1.00 0.00 N ATOM 479 CA LYS A 33 -36.128 26.378 6.044 1.00 0.00 C ATOM 480 C LYS A 33 -35.855 24.938 5.591 1.00 0.00 C ATOM 481 O LYS A 33 -34.774 24.390 5.683 1.00 0.00 O ATOM 482 CB LYS A 33 -35.006 26.965 6.939 1.00 0.00 C ATOM 483 CG LYS A 33 -35.398 28.380 7.449 1.00 0.00 C ATOM 484 CD LYS A 33 -35.936 28.262 8.895 1.00 0.00 C ATOM 485 CE LYS A 33 -36.356 29.634 9.441 1.00 0.00 C ATOM 486 NZ LYS A 33 -36.796 29.489 10.861 1.00 0.00 N ATOM 0 H LYS A 33 -37.150 26.100 7.881 1.00 0.00 H new ATOM 0 HA LYS A 33 -36.214 27.033 5.177 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -34.826 26.304 7.787 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -34.075 27.021 6.375 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -34.533 29.043 7.422 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -36.156 28.818 6.800 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -36.788 27.583 8.915 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -35.169 27.830 9.538 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -35.523 30.334 9.376 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -37.165 30.045 8.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -37.049 30.423 11.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -37.624 28.861 10.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -36.022 29.082 11.424 1.00 0.00 H new ATOM 500 N ARG A 34 -36.895 24.341 5.082 1.00 0.00 N ATOM 501 CA ARG A 34 -36.766 22.935 4.608 1.00 0.00 C ATOM 502 C ARG A 34 -36.263 23.068 3.156 1.00 0.00 C ATOM 503 O ARG A 34 -36.438 24.120 2.574 1.00 0.00 O ATOM 504 CB ARG A 34 -38.171 22.294 4.733 1.00 0.00 C ATOM 505 CG ARG A 34 -38.311 21.005 3.908 1.00 0.00 C ATOM 506 CD ARG A 34 -37.275 19.958 4.337 1.00 0.00 C ATOM 507 NE ARG A 34 -37.454 18.794 3.414 1.00 0.00 N ATOM 508 CZ ARG A 34 -36.604 18.548 2.457 1.00 0.00 C ATOM 509 NH1 ARG A 34 -36.534 19.383 1.460 1.00 0.00 N ATOM 510 NH2 ARG A 34 -35.863 17.479 2.530 1.00 0.00 N ATOM 0 H ARG A 34 -37.819 24.759 4.974 1.00 0.00 H new ATOM 0 HA ARG A 34 -36.079 22.300 5.167 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -38.373 22.073 5.781 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -38.924 23.012 4.408 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -39.315 20.599 4.030 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -38.186 21.232 2.849 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -36.264 20.359 4.267 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -37.429 19.660 5.374 1.00 0.00 H new ATOM 0 HE ARG A 34 -38.259 18.180 3.536 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -37.136 20.206 1.441 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -35.877 19.214 0.698 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -35.953 16.849 3.327 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -35.193 17.272 1.790 1.00 0.00 H new ATOM 524 N GLY A 35 -35.648 22.071 2.567 1.00 0.00 N ATOM 525 CA GLY A 35 -35.158 22.238 1.154 1.00 0.00 C ATOM 526 C GLY A 35 -33.748 22.795 1.355 1.00 0.00 C ATOM 527 O GLY A 35 -32.755 22.287 0.866 1.00 0.00 O ATOM 0 H GLY A 35 -35.464 21.162 2.991 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -35.147 21.291 0.614 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -35.787 22.922 0.585 1.00 0.00 H new ATOM 531 N LYS A 36 -33.736 23.856 2.117 1.00 0.00 N ATOM 532 CA LYS A 36 -32.484 24.569 2.463 1.00 0.00 C ATOM 533 C LYS A 36 -31.772 23.742 3.548 1.00 0.00 C ATOM 534 O LYS A 36 -30.584 23.515 3.406 1.00 0.00 O ATOM 535 CB LYS A 36 -32.865 25.983 2.970 1.00 0.00 C ATOM 536 CG LYS A 36 -31.770 26.996 2.570 1.00 0.00 C ATOM 537 CD LYS A 36 -32.089 28.396 3.176 1.00 0.00 C ATOM 538 CE LYS A 36 -31.223 28.660 4.434 1.00 0.00 C ATOM 539 NZ LYS A 36 -32.038 28.496 5.672 1.00 0.00 N ATOM 0 H LYS A 36 -34.576 24.267 2.525 1.00 0.00 H new ATOM 0 HA LYS A 36 -31.814 24.682 1.611 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -33.824 26.284 2.548 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -32.984 25.971 4.053 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -30.798 26.651 2.923 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -31.708 27.067 1.484 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -31.903 29.171 2.432 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -33.146 28.452 3.438 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -30.379 27.971 4.453 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -30.810 29.668 4.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -31.701 29.158 6.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -33.037 28.694 5.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -31.946 27.521 6.022 1.00 0.00 H new ATOM 553 N CYS A 37 -32.471 23.307 4.585 1.00 0.00 N ATOM 554 CA CYS A 37 -31.751 22.490 5.640 1.00 0.00 C ATOM 555 C CYS A 37 -31.121 21.308 4.958 1.00 0.00 C ATOM 556 O CYS A 37 -30.062 20.821 5.304 1.00 0.00 O ATOM 557 CB CYS A 37 -32.713 21.929 6.757 1.00 0.00 C ATOM 558 SG CYS A 37 -32.955 20.140 6.918 1.00 0.00 S ATOM 0 H CYS A 37 -33.465 23.471 4.746 1.00 0.00 H new ATOM 0 HA CYS A 37 -31.026 23.147 6.121 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -32.347 22.296 7.716 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -33.694 22.377 6.597 1.00 0.00 H new ATOM 563 N ALA A 38 -31.846 20.898 3.961 1.00 0.00 N ATOM 564 CA ALA A 38 -31.380 19.746 3.179 1.00 0.00 C ATOM 565 C ALA A 38 -30.112 20.109 2.424 1.00 0.00 C ATOM 566 O ALA A 38 -29.062 19.589 2.757 1.00 0.00 O ATOM 567 CB ALA A 38 -32.526 19.338 2.240 1.00 0.00 C ATOM 0 H ALA A 38 -32.730 21.310 3.662 1.00 0.00 H new ATOM 0 HA ALA A 38 -31.125 18.902 3.820 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -32.217 18.482 1.640 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -33.402 19.070 2.830 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -32.772 20.172 1.583 1.00 0.00 H new ATOM 573 N ALA A 39 -30.234 20.965 1.438 1.00 0.00 N ATOM 574 CA ALA A 39 -29.030 21.383 0.646 1.00 0.00 C ATOM 575 C ALA A 39 -27.828 21.580 1.592 1.00 0.00 C ATOM 576 O ALA A 39 -26.781 20.975 1.457 1.00 0.00 O ATOM 577 CB ALA A 39 -29.355 22.697 -0.084 1.00 0.00 C ATOM 0 H ALA A 39 -31.113 21.393 1.146 1.00 0.00 H new ATOM 0 HA ALA A 39 -28.774 20.614 -0.083 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -28.489 23.014 -0.665 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -30.203 22.542 -0.752 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -29.604 23.467 0.646 1.00 0.00 H new ATOM 583 N HIS A 40 -28.063 22.447 2.537 1.00 0.00 N ATOM 584 CA HIS A 40 -27.040 22.787 3.563 1.00 0.00 C ATOM 585 C HIS A 40 -26.338 21.563 4.146 1.00 0.00 C ATOM 586 O HIS A 40 -25.129 21.536 4.284 1.00 0.00 O ATOM 587 CB HIS A 40 -27.711 23.554 4.703 1.00 0.00 C ATOM 588 CG HIS A 40 -26.635 24.070 5.686 1.00 0.00 C ATOM 589 ND1 HIS A 40 -25.781 23.254 6.233 1.00 0.00 N ATOM 590 CD2 HIS A 40 -26.389 25.353 6.130 1.00 0.00 C ATOM 591 CE1 HIS A 40 -25.068 24.053 6.970 1.00 0.00 C ATOM 592 NE2 HIS A 40 -25.376 25.324 6.958 1.00 0.00 N ATOM 0 H HIS A 40 -28.946 22.947 2.643 1.00 0.00 H new ATOM 0 HA HIS A 40 -26.281 23.389 3.064 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -28.284 24.391 4.304 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -28.415 22.906 5.226 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -26.941 26.235 5.842 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -24.251 23.681 7.570 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -24.939 26.094 7.464 1.00 0.00 H new ATOM 600 N CYS A 41 -27.100 20.565 4.493 1.00 0.00 N ATOM 601 CA CYS A 41 -26.453 19.359 5.077 1.00 0.00 C ATOM 602 C CYS A 41 -25.764 18.513 4.030 1.00 0.00 C ATOM 603 O CYS A 41 -24.674 18.007 4.239 1.00 0.00 O ATOM 604 CB CYS A 41 -27.561 18.645 5.781 1.00 0.00 C ATOM 605 SG CYS A 41 -28.185 19.586 7.192 1.00 0.00 S ATOM 0 H CYS A 41 -28.115 20.530 4.401 1.00 0.00 H new ATOM 0 HA CYS A 41 -25.646 19.613 5.764 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -28.375 18.459 5.081 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -27.206 17.672 6.122 1.00 0.00 H new ATOM 610 N ILE A 42 -26.420 18.385 2.915 1.00 0.00 N ATOM 611 CA ILE A 42 -25.830 17.567 1.817 1.00 0.00 C ATOM 612 C ILE A 42 -24.404 18.060 1.503 1.00 0.00 C ATOM 613 O ILE A 42 -23.492 17.277 1.303 1.00 0.00 O ATOM 614 CB ILE A 42 -26.805 17.680 0.591 1.00 0.00 C ATOM 615 CG1 ILE A 42 -27.073 16.252 0.045 1.00 0.00 C ATOM 616 CG2 ILE A 42 -26.214 18.552 -0.537 1.00 0.00 C ATOM 617 CD1 ILE A 42 -28.108 16.285 -1.103 1.00 0.00 C ATOM 0 H ILE A 42 -27.328 18.804 2.714 1.00 0.00 H new ATOM 0 HA ILE A 42 -25.728 16.518 2.094 1.00 0.00 H new ATOM 0 HB ILE A 42 -27.728 18.154 0.926 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -26.141 15.814 -0.313 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -27.437 15.613 0.850 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -26.921 18.604 -1.365 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -26.024 19.557 -0.159 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -25.279 18.113 -0.885 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -28.278 15.272 -1.468 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -29.046 16.701 -0.735 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -27.730 16.905 -1.916 1.00 0.00 H new ATOM 629 N ILE A 43 -24.266 19.362 1.477 1.00 0.00 N ATOM 630 CA ILE A 43 -22.942 19.988 1.188 1.00 0.00 C ATOM 631 C ILE A 43 -21.863 19.374 2.073 1.00 0.00 C ATOM 632 O ILE A 43 -20.705 19.309 1.708 1.00 0.00 O ATOM 633 CB ILE A 43 -23.029 21.500 1.464 1.00 0.00 C ATOM 634 CG1 ILE A 43 -24.039 22.167 0.509 1.00 0.00 C ATOM 635 CG2 ILE A 43 -21.654 22.174 1.263 1.00 0.00 C ATOM 636 CD1 ILE A 43 -24.495 23.490 1.147 1.00 0.00 C ATOM 0 H ILE A 43 -25.023 20.024 1.646 1.00 0.00 H new ATOM 0 HA ILE A 43 -22.684 19.813 0.144 1.00 0.00 H new ATOM 0 HB ILE A 43 -23.353 21.626 2.497 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -23.580 22.351 -0.463 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -24.893 21.511 0.339 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -21.740 23.242 1.463 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -20.929 21.733 1.947 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -21.321 22.023 0.236 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -25.212 23.983 0.490 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -24.965 23.287 2.109 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -23.632 24.139 1.295 1.00 0.00 H new ATOM 648 N GLN A 44 -22.286 18.913 3.214 1.00 0.00 N ATOM 649 CA GLN A 44 -21.288 18.313 4.149 1.00 0.00 C ATOM 650 C GLN A 44 -20.944 16.868 3.765 1.00 0.00 C ATOM 651 O GLN A 44 -19.865 16.397 4.063 1.00 0.00 O ATOM 652 CB GLN A 44 -21.874 18.399 5.592 1.00 0.00 C ATOM 653 CG GLN A 44 -21.058 19.398 6.490 1.00 0.00 C ATOM 654 CD GLN A 44 -20.931 20.825 5.913 1.00 0.00 C ATOM 655 OE1 GLN A 44 -20.227 21.659 6.440 1.00 0.00 O ATOM 656 NE2 GLN A 44 -21.576 21.170 4.840 1.00 0.00 N ATOM 0 H GLN A 44 -23.253 18.922 3.538 1.00 0.00 H new ATOM 0 HA GLN A 44 -20.351 18.867 4.093 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -22.915 18.719 5.544 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -21.866 17.409 6.048 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -21.533 19.457 7.469 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -20.058 18.993 6.645 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -22.178 20.496 4.368 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -21.480 22.115 4.469 1.00 0.00 H new ATOM 665 N LYS A 45 -21.845 16.198 3.098 1.00 0.00 N ATOM 666 CA LYS A 45 -21.583 14.775 2.680 1.00 0.00 C ATOM 667 C LYS A 45 -20.733 14.832 1.420 1.00 0.00 C ATOM 668 O LYS A 45 -20.046 13.883 1.095 1.00 0.00 O ATOM 669 CB LYS A 45 -22.958 14.063 2.415 1.00 0.00 C ATOM 670 CG LYS A 45 -23.227 13.810 0.884 1.00 0.00 C ATOM 671 CD LYS A 45 -24.576 13.100 0.667 1.00 0.00 C ATOM 672 CE LYS A 45 -24.811 12.845 -0.849 1.00 0.00 C ATOM 673 NZ LYS A 45 -24.112 11.605 -1.313 1.00 0.00 N ATOM 0 H LYS A 45 -22.754 16.568 2.821 1.00 0.00 H new ATOM 0 HA LYS A 45 -21.058 14.209 3.450 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -22.977 13.111 2.945 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -23.763 14.673 2.825 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -23.222 14.760 0.349 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -22.423 13.205 0.466 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -24.589 12.154 1.209 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -25.385 13.709 1.070 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -25.880 12.755 -1.042 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -24.454 13.701 -1.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -24.290 11.465 -2.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -23.089 11.702 -1.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -24.471 10.785 -0.783 1.00 0.00 H new ATOM 687 N ASN A 46 -20.807 15.946 0.745 1.00 0.00 N ATOM 688 CA ASN A 46 -19.999 16.077 -0.497 1.00 0.00 C ATOM 689 C ASN A 46 -18.656 16.671 -0.056 1.00 0.00 C ATOM 690 O ASN A 46 -17.630 16.068 -0.286 1.00 0.00 O ATOM 691 CB ASN A 46 -20.747 17.012 -1.511 1.00 0.00 C ATOM 692 CG ASN A 46 -21.181 16.198 -2.752 1.00 0.00 C ATOM 693 OD1 ASN A 46 -20.533 15.259 -3.157 1.00 0.00 O ATOM 694 ND2 ASN A 46 -22.262 16.495 -3.418 1.00 0.00 N ATOM 0 H ASN A 46 -21.379 16.754 0.993 1.00 0.00 H new ATOM 0 HA ASN A 46 -19.846 15.124 -1.004 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -21.620 17.457 -1.033 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -20.095 17.832 -1.812 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -22.524 15.945 -4.236 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -22.846 17.277 -3.121 1.00 0.00 H new ATOM 701 N ASN A 47 -18.680 17.826 0.566 1.00 0.00 N ATOM 702 CA ASN A 47 -17.417 18.503 1.047 1.00 0.00 C ATOM 703 C ASN A 47 -16.377 17.468 1.532 1.00 0.00 C ATOM 704 O ASN A 47 -15.262 17.419 1.048 1.00 0.00 O ATOM 705 CB ASN A 47 -17.831 19.495 2.181 1.00 0.00 C ATOM 706 CG ASN A 47 -16.638 20.199 2.839 1.00 0.00 C ATOM 707 OD1 ASN A 47 -15.514 20.142 2.392 1.00 0.00 O ATOM 708 ND2 ASN A 47 -16.848 20.888 3.924 1.00 0.00 N ATOM 0 H ASN A 47 -19.535 18.344 0.768 1.00 0.00 H new ATOM 0 HA ASN A 47 -16.935 19.047 0.234 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -18.505 20.246 1.769 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -18.389 18.951 2.944 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -16.073 21.368 4.382 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -17.788 20.948 4.316 1.00 0.00 H new ATOM 715 N CYS A 48 -16.798 16.660 2.475 1.00 0.00 N ATOM 716 CA CYS A 48 -15.906 15.592 3.055 1.00 0.00 C ATOM 717 C CYS A 48 -15.184 14.778 1.956 1.00 0.00 C ATOM 718 O CYS A 48 -14.017 14.449 2.070 1.00 0.00 O ATOM 719 CB CYS A 48 -16.766 14.654 3.920 1.00 0.00 C ATOM 720 SG CYS A 48 -16.104 14.045 5.494 1.00 0.00 S ATOM 0 H CYS A 48 -17.735 16.692 2.877 1.00 0.00 H new ATOM 0 HA CYS A 48 -15.135 16.074 3.656 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -17.700 15.172 4.136 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -17.017 13.785 3.312 1.00 0.00 H new ATOM 725 N LYS A 49 -15.904 14.463 0.904 1.00 0.00 N ATOM 726 CA LYS A 49 -15.290 13.669 -0.231 1.00 0.00 C ATOM 727 C LYS A 49 -14.012 14.325 -0.795 1.00 0.00 C ATOM 728 O LYS A 49 -13.234 13.695 -1.485 1.00 0.00 O ATOM 729 CB LYS A 49 -16.284 13.520 -1.412 1.00 0.00 C ATOM 730 CG LYS A 49 -17.356 12.457 -1.104 1.00 0.00 C ATOM 731 CD LYS A 49 -18.469 12.477 -2.179 1.00 0.00 C ATOM 732 CE LYS A 49 -17.932 12.158 -3.600 1.00 0.00 C ATOM 733 NZ LYS A 49 -17.304 10.804 -3.658 1.00 0.00 N ATOM 0 H LYS A 49 -16.884 14.715 0.775 1.00 0.00 H new ATOM 0 HA LYS A 49 -15.042 12.699 0.199 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -16.764 14.478 -1.610 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -15.741 13.242 -2.315 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -16.896 11.469 -1.067 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -17.789 12.644 -0.121 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -19.238 11.752 -1.914 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -18.945 13.458 -2.186 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -18.749 12.212 -4.319 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -17.201 12.912 -3.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -17.218 10.503 -4.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -16.359 10.841 -3.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -17.897 10.124 -3.140 1.00 0.00 H new ATOM 747 N GLY A 50 -13.841 15.583 -0.481 1.00 0.00 N ATOM 748 CA GLY A 50 -12.646 16.349 -0.956 1.00 0.00 C ATOM 749 C GLY A 50 -11.712 16.638 0.220 1.00 0.00 C ATOM 750 O GLY A 50 -10.903 17.542 0.166 1.00 0.00 O ATOM 0 H GLY A 50 -14.489 16.122 0.094 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -12.118 15.778 -1.720 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -12.963 17.284 -1.418 1.00 0.00 H new ATOM 754 N LYS A 51 -11.860 15.851 1.254 1.00 0.00 N ATOM 755 CA LYS A 51 -11.023 15.995 2.484 1.00 0.00 C ATOM 756 C LYS A 51 -10.155 14.728 2.582 1.00 0.00 C ATOM 757 O LYS A 51 -8.964 14.812 2.356 1.00 0.00 O ATOM 758 CB LYS A 51 -12.013 16.204 3.707 1.00 0.00 C ATOM 759 CG LYS A 51 -11.870 15.189 4.889 1.00 0.00 C ATOM 760 CD LYS A 51 -12.598 15.742 6.145 1.00 0.00 C ATOM 761 CE LYS A 51 -11.685 15.646 7.386 1.00 0.00 C ATOM 762 NZ LYS A 51 -10.488 16.518 7.217 1.00 0.00 N ATOM 0 H LYS A 51 -12.544 15.095 1.298 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.349 16.852 2.472 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -11.866 17.210 4.099 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -13.036 16.154 3.333 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -12.293 14.225 4.606 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.816 15.022 5.112 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -12.886 16.780 5.978 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -13.516 15.180 6.317 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.238 15.945 8.277 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.372 14.613 7.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -10.138 16.812 8.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.743 15.992 6.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.747 17.360 6.664 1.00 0.00 H new ATOM 776 N CYS A 52 -10.728 13.593 2.903 1.00 0.00 N ATOM 777 CA CYS A 52 -9.914 12.337 3.007 1.00 0.00 C ATOM 778 C CYS A 52 -10.054 11.411 1.777 1.00 0.00 C ATOM 779 O CYS A 52 -9.444 10.356 1.752 1.00 0.00 O ATOM 780 CB CYS A 52 -10.339 11.538 4.231 1.00 0.00 C ATOM 781 SG CYS A 52 -9.957 12.043 5.928 1.00 0.00 S ATOM 0 H CYS A 52 -11.723 13.480 3.098 1.00 0.00 H new ATOM 0 HA CYS A 52 -8.876 12.663 3.076 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -11.423 11.442 4.175 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -9.923 10.538 4.106 1.00 0.00 H new ATOM 786 N LYS A 53 -10.822 11.803 0.790 1.00 0.00 N ATOM 787 CA LYS A 53 -10.990 10.923 -0.416 1.00 0.00 C ATOM 788 C LYS A 53 -10.098 11.430 -1.556 1.00 0.00 C ATOM 789 O LYS A 53 -10.056 12.602 -1.877 1.00 0.00 O ATOM 790 CB LYS A 53 -12.495 10.927 -0.866 1.00 0.00 C ATOM 791 CG LYS A 53 -13.191 9.567 -0.543 1.00 0.00 C ATOM 792 CD LYS A 53 -14.367 9.281 -1.515 1.00 0.00 C ATOM 793 CE LYS A 53 -15.419 8.320 -0.860 1.00 0.00 C ATOM 794 NZ LYS A 53 -15.379 6.969 -1.496 1.00 0.00 N ATOM 0 H LYS A 53 -11.336 12.684 0.763 1.00 0.00 H new ATOM 0 HA LYS A 53 -10.696 9.904 -0.164 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -13.024 11.736 -0.363 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -12.556 11.123 -1.937 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -12.461 8.760 -0.607 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -13.561 9.582 0.482 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -14.849 10.218 -1.793 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -13.984 8.835 -2.433 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -15.219 8.229 0.208 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -16.418 8.745 -0.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -16.273 6.795 -1.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -14.589 6.926 -2.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -15.247 6.244 -0.762 1.00 0.00 H new ATOM 808 N LYS A 54 -9.395 10.494 -2.132 1.00 0.00 N ATOM 809 CA LYS A 54 -8.467 10.792 -3.260 1.00 0.00 C ATOM 810 C LYS A 54 -9.215 11.262 -4.520 1.00 0.00 C ATOM 811 O LYS A 54 -9.410 10.529 -5.471 1.00 0.00 O ATOM 812 CB LYS A 54 -7.627 9.506 -3.562 1.00 0.00 C ATOM 813 CG LYS A 54 -8.433 8.184 -3.334 1.00 0.00 C ATOM 814 CD LYS A 54 -7.954 7.480 -2.025 1.00 0.00 C ATOM 815 CE LYS A 54 -9.059 7.423 -0.944 1.00 0.00 C ATOM 816 NZ LYS A 54 -8.584 8.123 0.284 1.00 0.00 N ATOM 0 H LYS A 54 -9.426 9.511 -1.861 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.812 11.612 -2.968 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.279 9.540 -4.594 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.741 9.499 -2.927 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.498 8.406 -3.268 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.299 7.516 -4.185 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.628 6.467 -2.260 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.088 8.010 -1.627 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.970 7.892 -1.314 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.305 6.386 -0.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -9.011 7.681 1.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.548 8.052 0.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.861 9.125 0.242 1.00 0.00 H new ATOM 830 N GLU A 55 -9.613 12.502 -4.479 1.00 0.00 N ATOM 831 CA GLU A 55 -10.353 13.123 -5.622 1.00 0.00 C ATOM 832 C GLU A 55 -9.404 14.078 -6.375 1.00 0.00 C ATOM 833 O GLU A 55 -9.540 14.114 -7.586 1.00 0.00 O ATOM 834 CB GLU A 55 -11.571 13.909 -5.070 1.00 0.00 C ATOM 835 CG GLU A 55 -12.386 14.575 -6.220 1.00 0.00 C ATOM 836 CD GLU A 55 -12.896 13.511 -7.212 1.00 0.00 C ATOM 837 OE1 GLU A 55 -13.729 12.731 -6.771 1.00 0.00 O ATOM 838 OE2 GLU A 55 -12.427 13.538 -8.340 1.00 0.00 O ATOM 839 OXT GLU A 55 -8.603 14.714 -5.708 1.00 0.00 O ATOM 0 H GLU A 55 -9.455 13.126 -3.688 1.00 0.00 H new ATOM 0 HA GLU A 55 -10.705 12.352 -6.307 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -12.217 13.235 -4.508 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -11.227 14.675 -4.375 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -13.230 15.125 -5.803 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -11.761 15.298 -6.744 1.00 0.00 H new TER 846 GLU A 55