USER MOD reduce.3.24.130724 H: found=0, std=0, add=423, rem=0, adj=10 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 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 46 ASN : amide:sc= -0.78 X(o=-0.78,f=-0.39) USER MOD Set 2.1: A 40 HIS : no HE2:sc= -1.74! C(o=-4.4!,f=-12!) USER MOD Set 2.2: A 44 GLN : amide:sc= -2.68 X(o=-4.4,f=-4) USER MOD Set 3.1: A 1 ALA N :NH3+ -138:sc= -0.0915 (180deg=-0.836) USER MOD Set 3.2: A 4 THR OG1 : rot 130:sc= 0.689 USER MOD Single : A 2 SER OG : rot 51:sc= -0.278! USER MOD Single : A 9 TYR OH : rot -30:sc= -0.324 USER MOD Single : A 10 HYP OD1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -1.78 K(o=-1.8,f=-2.6!) USER MOD Single : A 15 ASN : amide:sc= -3.82 K(o=-3.8,f=-18!) USER MOD Single : A 18 LYS NZ :NH3+ -161:sc= -0.0596 (180deg=-0.419) USER MOD Single : A 19 LYS NZ :NH3+ 145:sc= 1.43 (180deg=0.175) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -4.98! C(o=-5!,f=-4.7!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -1.02 K(o=-1,f=-2) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.068) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -7.112 -6.860 -3.713 1.00 0.00 N ATOM 2 CA ALA A 1 -5.718 -6.714 -3.194 1.00 0.00 C ATOM 3 C ALA A 1 -4.827 -6.141 -4.315 1.00 0.00 C ATOM 4 O ALA A 1 -3.823 -6.714 -4.690 1.00 0.00 O ATOM 5 CB ALA A 1 -5.196 -8.097 -2.746 1.00 0.00 C ATOM 0 H1 ALA A 1 -7.787 -6.547 -2.987 1.00 0.00 H new ATOM 0 H2 ALA A 1 -7.227 -6.278 -4.567 1.00 0.00 H new ATOM 0 H3 ALA A 1 -7.293 -7.857 -3.947 1.00 0.00 H new ATOM 0 HA ALA A 1 -5.699 -6.037 -2.340 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -4.179 -7.997 -2.366 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -5.840 -8.492 -1.960 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -5.200 -8.780 -3.595 1.00 0.00 H new ATOM 13 N SER A 2 -5.230 -5.012 -4.830 1.00 0.00 N ATOM 14 CA SER A 2 -4.446 -4.364 -5.929 1.00 0.00 C ATOM 15 C SER A 2 -4.770 -2.862 -5.854 1.00 0.00 C ATOM 16 O SER A 2 -4.186 -2.135 -5.072 1.00 0.00 O ATOM 17 CB SER A 2 -4.891 -5.114 -7.266 1.00 0.00 C ATOM 18 OG SER A 2 -5.125 -4.167 -8.304 1.00 0.00 O ATOM 0 H SER A 2 -6.068 -4.507 -4.540 1.00 0.00 H new ATOM 0 HA SER A 2 -3.360 -4.443 -5.870 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.117 -5.817 -7.573 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.795 -5.695 -7.083 1.00 0.00 H new ATOM 0 HG SER A 2 -4.354 -3.566 -8.379 1.00 0.00 H new ATOM 24 N ALA A 3 -5.700 -2.415 -6.649 1.00 0.00 N ATOM 25 CA ALA A 3 -6.094 -0.974 -6.648 1.00 0.00 C ATOM 26 C ALA A 3 -7.224 -0.892 -5.614 1.00 0.00 C ATOM 27 O ALA A 3 -8.323 -0.434 -5.858 1.00 0.00 O ATOM 28 CB ALA A 3 -6.579 -0.602 -8.064 1.00 0.00 C ATOM 0 H ALA A 3 -6.214 -2.995 -7.312 1.00 0.00 H new ATOM 0 HA ALA A 3 -5.286 -0.287 -6.397 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -6.872 0.448 -8.084 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -5.774 -0.768 -8.780 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.435 -1.222 -8.330 1.00 0.00 H new ATOM 34 N THR A 4 -6.872 -1.364 -4.453 1.00 0.00 N ATOM 35 CA THR A 4 -7.795 -1.404 -3.290 1.00 0.00 C ATOM 36 C THR A 4 -7.268 -0.505 -2.149 1.00 0.00 C ATOM 37 O THR A 4 -6.610 -1.000 -1.255 1.00 0.00 O ATOM 38 CB THR A 4 -7.894 -2.904 -2.881 1.00 0.00 C ATOM 39 OG1 THR A 4 -6.595 -3.443 -3.122 1.00 0.00 O ATOM 40 CG2 THR A 4 -8.750 -3.688 -3.886 1.00 0.00 C ATOM 0 H THR A 4 -5.944 -1.738 -4.257 1.00 0.00 H new ATOM 0 HA THR A 4 -8.784 -1.014 -3.530 1.00 0.00 H new ATOM 0 HB THR A 4 -8.283 -2.974 -1.865 1.00 0.00 H new ATOM 0 HG1 THR A 4 -6.290 -3.929 -2.328 1.00 0.00 H new ATOM 0 HG21 THR A 4 -8.805 -4.733 -3.580 1.00 0.00 H new ATOM 0 HG22 THR A 4 -9.754 -3.265 -3.916 1.00 0.00 H new ATOM 0 HG23 THR A 4 -8.299 -3.623 -4.876 1.00 0.00 H new ATOM 48 N TRP A 5 -7.564 0.776 -2.214 1.00 0.00 N ATOM 49 CA TRP A 5 -7.102 1.753 -1.155 1.00 0.00 C ATOM 50 C TRP A 5 -8.226 2.574 -0.505 1.00 0.00 C ATOM 51 O TRP A 5 -7.954 3.415 0.328 1.00 0.00 O ATOM 52 CB TRP A 5 -6.108 2.741 -1.778 1.00 0.00 C ATOM 53 CG TRP A 5 -4.768 2.050 -1.985 1.00 0.00 C ATOM 54 CD1 TRP A 5 -4.365 1.347 -3.088 1.00 0.00 C ATOM 55 CD2 TRP A 5 -3.716 2.005 -1.107 1.00 0.00 C ATOM 56 NE1 TRP A 5 -3.156 0.886 -2.941 1.00 0.00 N ATOM 57 CE2 TRP A 5 -2.732 1.264 -1.758 1.00 0.00 C ATOM 58 CE3 TRP A 5 -3.483 2.513 0.170 1.00 0.00 C ATOM 59 CZ2 TRP A 5 -1.517 1.032 -1.122 1.00 0.00 C ATOM 60 CZ3 TRP A 5 -2.263 2.281 0.805 1.00 0.00 C ATOM 61 CH2 TRP A 5 -1.277 1.539 0.157 1.00 0.00 C ATOM 0 H TRP A 5 -8.113 1.196 -2.964 1.00 0.00 H new ATOM 0 HA TRP A 5 -6.656 1.141 -0.371 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -6.491 3.107 -2.730 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -5.986 3.608 -1.129 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -4.972 1.194 -3.968 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -2.634 0.333 -3.621 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -4.249 3.088 0.669 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -0.753 0.455 -1.621 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -2.083 2.675 1.795 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -0.330 1.357 0.643 1.00 0.00 H new ATOM 72 N GLY A 6 -9.458 2.334 -0.867 1.00 0.00 N ATOM 73 CA GLY A 6 -10.565 3.136 -0.248 1.00 0.00 C ATOM 74 C GLY A 6 -11.449 2.354 0.699 1.00 0.00 C ATOM 75 O GLY A 6 -12.468 2.867 1.103 1.00 0.00 O ATOM 0 H GLY A 6 -9.747 1.633 -1.550 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -10.130 3.977 0.292 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -11.184 3.553 -1.043 1.00 0.00 H new ATOM 79 N ALA A 7 -11.054 1.157 1.035 1.00 0.00 N ATOM 80 CA ALA A 7 -11.893 0.338 1.970 1.00 0.00 C ATOM 81 C ALA A 7 -11.494 0.560 3.432 1.00 0.00 C ATOM 82 O ALA A 7 -12.156 0.090 4.332 1.00 0.00 O ATOM 83 CB ALA A 7 -11.730 -1.146 1.608 1.00 0.00 C ATOM 0 H ALA A 7 -10.197 0.710 0.710 1.00 0.00 H new ATOM 0 HA ALA A 7 -12.933 0.647 1.863 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -12.335 -1.753 2.281 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -12.056 -1.308 0.581 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.683 -1.431 1.705 1.00 0.00 H new ATOM 89 N ALA A 8 -10.417 1.268 3.645 1.00 0.00 N ATOM 90 CA ALA A 8 -9.956 1.533 5.045 1.00 0.00 C ATOM 91 C ALA A 8 -10.339 2.933 5.523 1.00 0.00 C ATOM 92 O ALA A 8 -10.400 3.176 6.714 1.00 0.00 O ATOM 93 CB ALA A 8 -8.427 1.374 5.108 1.00 0.00 C ATOM 0 H ALA A 8 -9.835 1.675 2.913 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.448 0.815 5.701 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -8.083 1.565 6.124 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -8.154 0.359 4.818 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -7.959 2.085 4.427 1.00 0.00 H new ATOM 99 N TYR A 9 -10.582 3.819 4.585 1.00 0.00 N ATOM 100 CA TYR A 9 -10.961 5.220 4.976 1.00 0.00 C ATOM 101 C TYR A 9 -12.432 5.708 4.954 1.00 0.00 C ATOM 102 O TYR A 9 -12.636 6.847 5.319 1.00 0.00 O ATOM 103 CB TYR A 9 -10.099 6.194 4.107 1.00 0.00 C ATOM 104 CG TYR A 9 -10.488 6.349 2.609 1.00 0.00 C ATOM 105 CD1 TYR A 9 -11.592 5.760 2.005 1.00 0.00 C ATOM 106 CD2 TYR A 9 -9.671 7.145 1.822 1.00 0.00 C ATOM 107 CE1 TYR A 9 -11.863 5.969 0.669 1.00 0.00 C ATOM 108 CE2 TYR A 9 -9.948 7.348 0.488 1.00 0.00 C ATOM 109 CZ TYR A 9 -11.043 6.763 -0.098 1.00 0.00 C ATOM 110 OH TYR A 9 -11.318 6.972 -1.433 1.00 0.00 O ATOM 0 H TYR A 9 -10.536 3.640 3.582 1.00 0.00 H new ATOM 0 HA TYR A 9 -10.772 5.213 6.050 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -10.136 7.181 4.569 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -9.063 5.860 4.153 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -12.246 5.130 2.589 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -8.803 7.614 2.262 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -12.728 5.504 0.220 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -9.297 7.974 -0.103 1.00 0.00 H new ATOM 0 HH TYR A 9 -11.776 6.187 -1.799 1.00 0.00 H new HETATM 120 N HYP A 10 -13.427 4.938 4.567 1.00 0.00 N HETATM 121 CA HYP A 10 -14.765 5.490 4.144 1.00 0.00 C HETATM 122 C HYP A 10 -15.395 6.367 5.222 1.00 0.00 C HETATM 123 O HYP A 10 -16.184 7.263 4.967 1.00 0.00 O HETATM 124 CB HYP A 10 -15.677 4.306 3.815 1.00 0.00 C HETATM 125 CG HYP A 10 -14.958 3.131 4.478 1.00 0.00 C HETATM 126 CD HYP A 10 -13.458 3.452 4.478 1.00 0.00 C HETATM 127 OD1 HYP A 10 -15.133 2.095 3.530 1.00 0.00 O HETATM 0 HD23 HYP A 10 -12.970 3.093 3.572 1.00 0.00 H new HETATM 0 HD22 HYP A 10 -12.947 2.988 5.321 1.00 0.00 H new HETATM 0 HG HYP A 10 -15.308 2.907 5.485 1.00 0.00 H new HETATM 0 HD1 HYP A 10 -14.702 1.277 3.856 1.00 0.00 H new HETATM 0 HB3 HYP A 10 -16.681 4.445 4.217 1.00 0.00 H new HETATM 0 HB2 HYP A 10 -15.781 4.162 2.740 1.00 0.00 H new HETATM 0 HA HYP A 10 -14.628 6.129 3.271 1.00 0.00 H new ATOM 135 N ALA A 11 -15.002 6.050 6.420 1.00 0.00 N ATOM 136 CA ALA A 11 -15.472 6.771 7.632 1.00 0.00 C ATOM 137 C ALA A 11 -15.373 8.284 7.382 1.00 0.00 C ATOM 138 O ALA A 11 -16.226 9.052 7.780 1.00 0.00 O ATOM 139 CB ALA A 11 -14.579 6.352 8.777 1.00 0.00 C ATOM 0 H ALA A 11 -14.349 5.291 6.616 1.00 0.00 H new ATOM 0 HA ALA A 11 -16.509 6.534 7.867 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -14.893 6.861 9.688 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -14.653 5.274 8.920 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -13.547 6.618 8.550 1.00 0.00 H new ATOM 145 N CYS A 12 -14.302 8.623 6.711 1.00 0.00 N ATOM 146 CA CYS A 12 -13.990 10.041 6.350 1.00 0.00 C ATOM 147 C CYS A 12 -15.118 10.763 5.585 1.00 0.00 C ATOM 148 O CYS A 12 -15.085 11.969 5.459 1.00 0.00 O ATOM 149 CB CYS A 12 -12.700 10.026 5.515 1.00 0.00 C ATOM 150 SG CYS A 12 -11.645 11.502 5.536 1.00 0.00 S ATOM 0 H CYS A 12 -13.606 7.951 6.387 1.00 0.00 H new ATOM 0 HA CYS A 12 -13.874 10.608 7.274 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -12.097 9.182 5.849 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -12.977 9.830 4.479 1.00 0.00 H new ATOM 155 N GLU A 13 -16.065 10.004 5.102 1.00 0.00 N ATOM 156 CA GLU A 13 -17.241 10.545 4.335 1.00 0.00 C ATOM 157 C GLU A 13 -18.518 10.185 5.114 1.00 0.00 C ATOM 158 O GLU A 13 -19.451 10.955 5.284 1.00 0.00 O ATOM 159 CB GLU A 13 -17.280 9.886 2.942 1.00 0.00 C ATOM 160 CG GLU A 13 -18.454 10.422 2.059 1.00 0.00 C ATOM 161 CD GLU A 13 -19.869 10.012 2.555 1.00 0.00 C ATOM 162 OE1 GLU A 13 -19.998 8.882 3.024 1.00 0.00 O ATOM 163 OE2 GLU A 13 -20.750 10.851 2.436 1.00 0.00 O ATOM 0 H GLU A 13 -16.077 8.990 5.209 1.00 0.00 H new ATOM 0 HA GLU A 13 -17.163 11.626 4.216 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -16.334 10.066 2.432 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.379 8.807 3.057 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -18.397 11.510 2.021 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -18.321 10.060 1.040 1.00 0.00 H new ATOM 170 N ASN A 14 -18.522 8.958 5.559 1.00 0.00 N ATOM 171 CA ASN A 14 -19.684 8.437 6.341 1.00 0.00 C ATOM 172 C ASN A 14 -19.948 9.428 7.464 1.00 0.00 C ATOM 173 O ASN A 14 -21.077 9.719 7.793 1.00 0.00 O ATOM 174 CB ASN A 14 -19.337 7.055 6.906 1.00 0.00 C ATOM 175 CG ASN A 14 -18.800 6.132 5.804 1.00 0.00 C ATOM 176 OD1 ASN A 14 -18.235 5.095 6.075 1.00 0.00 O ATOM 177 ND2 ASN A 14 -18.934 6.449 4.547 1.00 0.00 N ATOM 0 H ASN A 14 -17.766 8.288 5.414 1.00 0.00 H new ATOM 0 HA ASN A 14 -20.572 8.332 5.717 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -18.592 7.157 7.695 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -20.223 6.610 7.359 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -18.568 5.831 3.823 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -19.405 7.316 4.287 1.00 0.00 H new ATOM 184 N ASN A 15 -18.876 9.921 8.008 1.00 0.00 N ATOM 185 CA ASN A 15 -18.937 10.916 9.120 1.00 0.00 C ATOM 186 C ASN A 15 -19.828 12.071 8.681 1.00 0.00 C ATOM 187 O ASN A 15 -20.652 12.493 9.461 1.00 0.00 O ATOM 188 CB ASN A 15 -17.498 11.441 9.438 1.00 0.00 C ATOM 189 CG ASN A 15 -16.773 11.864 8.150 1.00 0.00 C ATOM 190 OD1 ASN A 15 -17.270 11.670 7.064 1.00 0.00 O ATOM 191 ND2 ASN A 15 -15.607 12.436 8.174 1.00 0.00 N ATOM 0 H ASN A 15 -17.929 9.671 7.722 1.00 0.00 H new ATOM 0 HA ASN A 15 -19.344 10.453 10.019 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -17.558 12.288 10.122 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -16.926 10.663 9.944 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -15.151 12.701 7.301 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -15.148 12.620 9.066 1.00 0.00 H new ATOM 198 N CYS A 16 -19.679 12.532 7.470 1.00 0.00 N ATOM 199 CA CYS A 16 -20.505 13.667 6.970 1.00 0.00 C ATOM 200 C CYS A 16 -21.835 13.176 6.404 1.00 0.00 C ATOM 201 O CYS A 16 -22.761 13.950 6.268 1.00 0.00 O ATOM 202 CB CYS A 16 -19.750 14.412 5.861 1.00 0.00 C ATOM 203 SG CYS A 16 -18.103 15.109 6.157 1.00 0.00 S ATOM 0 H CYS A 16 -19.009 12.164 6.795 1.00 0.00 H new ATOM 0 HA CYS A 16 -20.699 14.331 7.812 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -19.659 13.725 5.020 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -20.390 15.232 5.535 1.00 0.00 H new ATOM 208 N ARG A 17 -21.914 11.911 6.092 1.00 0.00 N ATOM 209 CA ARG A 17 -23.199 11.370 5.526 1.00 0.00 C ATOM 210 C ARG A 17 -24.163 11.258 6.695 1.00 0.00 C ATOM 211 O ARG A 17 -25.281 11.743 6.648 1.00 0.00 O ATOM 212 CB ARG A 17 -22.941 9.996 4.906 1.00 0.00 C ATOM 213 CG ARG A 17 -24.282 9.330 4.509 1.00 0.00 C ATOM 214 CD ARG A 17 -24.120 8.590 3.178 1.00 0.00 C ATOM 215 NE ARG A 17 -25.488 8.325 2.643 1.00 0.00 N ATOM 216 CZ ARG A 17 -25.873 7.103 2.437 1.00 0.00 C ATOM 217 NH1 ARG A 17 -25.502 6.526 1.334 1.00 0.00 N ATOM 218 NH2 ARG A 17 -26.606 6.514 3.338 1.00 0.00 N ATOM 0 H ARG A 17 -21.161 11.232 6.199 1.00 0.00 H new ATOM 0 HA ARG A 17 -23.607 12.014 4.747 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -22.303 10.099 4.028 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -22.408 9.363 5.615 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -24.597 8.634 5.286 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -25.062 10.086 4.423 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -23.542 9.189 2.474 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -23.577 7.656 3.322 1.00 0.00 H new ATOM 0 HE ARG A 17 -26.118 9.101 2.440 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -24.926 7.033 0.662 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -25.787 5.566 1.140 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -26.868 7.013 4.188 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -26.918 5.554 3.194 1.00 0.00 H new ATOM 232 N LYS A 18 -23.671 10.609 7.717 1.00 0.00 N ATOM 233 CA LYS A 18 -24.481 10.422 8.944 1.00 0.00 C ATOM 234 C LYS A 18 -24.755 11.863 9.336 1.00 0.00 C ATOM 235 O LYS A 18 -25.903 12.239 9.465 1.00 0.00 O ATOM 236 CB LYS A 18 -23.648 9.691 10.023 1.00 0.00 C ATOM 237 CG LYS A 18 -23.981 8.182 10.009 1.00 0.00 C ATOM 238 CD LYS A 18 -23.420 7.522 8.727 1.00 0.00 C ATOM 239 CE LYS A 18 -23.668 6.003 8.772 1.00 0.00 C ATOM 240 NZ LYS A 18 -22.868 5.389 9.870 1.00 0.00 N ATOM 0 H LYS A 18 -22.737 10.200 7.749 1.00 0.00 H new ATOM 0 HA LYS A 18 -25.382 9.822 8.817 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -22.584 9.840 9.837 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -23.861 10.111 11.006 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -23.557 7.701 10.890 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -25.061 8.040 10.057 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -23.898 7.952 7.847 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -22.352 7.723 8.641 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -24.728 5.804 8.928 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -23.396 5.553 7.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -22.778 4.366 9.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -21.922 5.820 9.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -23.345 5.552 10.780 1.00 0.00 H new ATOM 254 N LYS A 19 -23.700 12.627 9.506 1.00 0.00 N ATOM 255 CA LYS A 19 -23.873 14.066 9.883 1.00 0.00 C ATOM 256 C LYS A 19 -25.052 14.691 9.133 1.00 0.00 C ATOM 257 O LYS A 19 -26.044 15.054 9.734 1.00 0.00 O ATOM 258 CB LYS A 19 -22.588 14.874 9.543 1.00 0.00 C ATOM 259 CG LYS A 19 -22.356 16.015 10.531 1.00 0.00 C ATOM 260 CD LYS A 19 -23.482 17.075 10.407 1.00 0.00 C ATOM 261 CE LYS A 19 -23.051 18.399 11.071 1.00 0.00 C ATOM 262 NZ LYS A 19 -23.484 19.565 10.244 1.00 0.00 N ATOM 0 H LYS A 19 -22.734 12.318 9.401 1.00 0.00 H new ATOM 0 HA LYS A 19 -24.064 14.103 10.955 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -21.726 14.206 9.550 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -22.669 15.278 8.534 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -22.327 15.624 11.548 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -21.388 16.479 10.340 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -23.714 17.247 9.356 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -24.392 16.704 10.878 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -23.486 18.471 12.068 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -21.968 18.415 11.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -23.745 20.355 10.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -22.704 19.858 9.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -24.305 19.295 9.666 1.00 0.00 H new ATOM 276 N TYR A 20 -24.929 14.785 7.834 1.00 0.00 N ATOM 277 CA TYR A 20 -26.005 15.391 6.988 1.00 0.00 C ATOM 278 C TYR A 20 -27.363 14.830 7.371 1.00 0.00 C ATOM 279 O TYR A 20 -28.295 15.547 7.679 1.00 0.00 O ATOM 280 CB TYR A 20 -25.664 15.113 5.451 1.00 0.00 C ATOM 281 CG TYR A 20 -26.890 14.803 4.564 1.00 0.00 C ATOM 282 CD1 TYR A 20 -27.430 13.536 4.529 1.00 0.00 C ATOM 283 CD2 TYR A 20 -27.477 15.786 3.795 1.00 0.00 C ATOM 284 CE1 TYR A 20 -28.532 13.262 3.748 1.00 0.00 C ATOM 285 CE2 TYR A 20 -28.582 15.513 3.012 1.00 0.00 C ATOM 286 CZ TYR A 20 -29.116 14.244 2.985 1.00 0.00 C ATOM 287 OH TYR A 20 -30.218 13.946 2.211 1.00 0.00 O ATOM 0 H TYR A 20 -24.114 14.462 7.313 1.00 0.00 H new ATOM 0 HA TYR A 20 -26.048 16.468 7.152 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -25.149 15.983 5.044 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -24.969 14.275 5.393 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -26.985 12.749 5.120 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -27.066 16.785 3.805 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -28.942 12.263 3.736 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -29.029 16.298 2.419 1.00 0.00 H new ATOM 0 HH TYR A 20 -30.510 14.751 1.734 1.00 0.00 H new ATOM 297 N ASP A 21 -27.421 13.534 7.365 1.00 0.00 N ATOM 298 CA ASP A 21 -28.685 12.832 7.704 1.00 0.00 C ATOM 299 C ASP A 21 -29.211 13.161 9.093 1.00 0.00 C ATOM 300 O ASP A 21 -30.402 13.110 9.335 1.00 0.00 O ATOM 301 CB ASP A 21 -28.412 11.341 7.557 1.00 0.00 C ATOM 302 CG ASP A 21 -28.946 10.887 6.189 1.00 0.00 C ATOM 303 OD1 ASP A 21 -30.158 10.913 6.031 1.00 0.00 O ATOM 304 OD2 ASP A 21 -28.112 10.538 5.369 1.00 0.00 O ATOM 0 H ASP A 21 -26.638 12.922 7.137 1.00 0.00 H new ATOM 0 HA ASP A 21 -29.472 13.165 7.028 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -27.343 11.141 7.633 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -28.898 10.785 8.358 1.00 0.00 H new ATOM 309 N LEU A 22 -28.310 13.495 9.971 1.00 0.00 N ATOM 310 CA LEU A 22 -28.726 13.836 11.365 1.00 0.00 C ATOM 311 C LEU A 22 -28.749 15.356 11.576 1.00 0.00 C ATOM 312 O LEU A 22 -29.287 15.826 12.559 1.00 0.00 O ATOM 313 CB LEU A 22 -27.732 13.174 12.344 1.00 0.00 C ATOM 314 CG LEU A 22 -27.639 11.637 12.072 1.00 0.00 C ATOM 315 CD1 LEU A 22 -26.281 11.110 12.570 1.00 0.00 C ATOM 316 CD2 LEU A 22 -28.769 10.902 12.822 1.00 0.00 C ATOM 0 H LEU A 22 -27.308 13.548 9.789 1.00 0.00 H new ATOM 0 HA LEU A 22 -29.735 13.465 11.545 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -26.747 13.629 12.235 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -28.052 13.349 13.371 1.00 0.00 H new ATOM 0 HG LEU A 22 -27.737 11.458 11.001 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -26.215 10.039 12.381 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -25.476 11.622 12.042 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -26.189 11.296 13.640 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -28.698 9.832 12.628 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -28.674 11.084 13.892 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -29.735 11.270 12.476 1.00 0.00 H new ATOM 328 N CYS A 23 -28.190 16.090 10.658 1.00 0.00 N ATOM 329 CA CYS A 23 -28.166 17.582 10.799 1.00 0.00 C ATOM 330 C CYS A 23 -29.316 18.221 10.044 1.00 0.00 C ATOM 331 O CYS A 23 -29.712 19.330 10.354 1.00 0.00 O ATOM 332 CB CYS A 23 -26.838 18.131 10.244 1.00 0.00 C ATOM 333 SG CYS A 23 -26.888 19.696 9.331 1.00 0.00 S ATOM 0 H CYS A 23 -27.747 15.727 9.814 1.00 0.00 H new ATOM 0 HA CYS A 23 -28.264 17.824 11.857 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -26.150 18.253 11.081 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -26.410 17.373 9.587 1.00 0.00 H new ATOM 338 N ILE A 24 -29.819 17.499 9.078 1.00 0.00 N ATOM 339 CA ILE A 24 -30.951 18.023 8.267 1.00 0.00 C ATOM 340 C ILE A 24 -32.243 17.982 9.086 1.00 0.00 C ATOM 341 O ILE A 24 -33.185 17.245 8.877 1.00 0.00 O ATOM 342 CB ILE A 24 -30.972 17.147 6.937 1.00 0.00 C ATOM 343 CG1 ILE A 24 -30.324 17.994 5.849 1.00 0.00 C ATOM 344 CG2 ILE A 24 -32.331 16.796 6.366 1.00 0.00 C ATOM 345 CD1 ILE A 24 -28.895 17.590 5.736 1.00 0.00 C ATOM 0 H ILE A 24 -29.493 16.568 8.817 1.00 0.00 H new ATOM 0 HA ILE A 24 -30.842 19.072 7.990 1.00 0.00 H new ATOM 0 HB ILE A 24 -30.482 16.212 7.211 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -30.837 17.849 4.898 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -30.402 19.053 6.095 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -32.203 16.199 5.463 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -32.898 16.225 7.101 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -32.871 17.711 6.122 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -28.409 18.184 4.962 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -28.393 17.756 6.689 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -28.835 16.534 5.474 1.00 0.00 H new ATOM 357 N ARG A 25 -32.245 18.861 10.040 1.00 0.00 N ATOM 358 CA ARG A 25 -33.402 18.980 10.942 1.00 0.00 C ATOM 359 C ARG A 25 -34.286 19.964 10.208 1.00 0.00 C ATOM 360 O ARG A 25 -34.511 21.055 10.691 1.00 0.00 O ATOM 361 CB ARG A 25 -32.963 19.566 12.307 1.00 0.00 C ATOM 362 CG ARG A 25 -32.186 18.561 13.190 1.00 0.00 C ATOM 363 CD ARG A 25 -32.856 17.170 13.253 1.00 0.00 C ATOM 364 NE ARG A 25 -32.107 16.286 12.308 1.00 0.00 N ATOM 365 CZ ARG A 25 -32.677 15.586 11.359 1.00 0.00 C ATOM 366 NH1 ARG A 25 -33.974 15.547 11.238 1.00 0.00 N ATOM 367 NH2 ARG A 25 -31.912 14.926 10.535 1.00 0.00 N ATOM 0 H ARG A 25 -31.481 19.509 10.232 1.00 0.00 H new ATOM 0 HA ARG A 25 -33.889 18.029 11.159 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -32.339 20.443 12.133 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -33.846 19.906 12.848 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -31.173 18.453 12.803 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -32.100 18.963 14.199 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -32.821 16.770 14.266 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -33.907 17.234 12.971 1.00 0.00 H new ATOM 0 HE ARG A 25 -31.094 16.225 12.408 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -34.563 16.067 11.889 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -34.400 14.996 10.493 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -30.898 14.964 10.639 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -32.327 14.372 9.786 1.00 0.00 H new ATOM 381 N CYS A 26 -34.798 19.592 9.060 1.00 0.00 N ATOM 382 CA CYS A 26 -35.673 20.586 8.348 1.00 0.00 C ATOM 383 C CYS A 26 -37.016 20.794 9.068 1.00 0.00 C ATOM 384 O CYS A 26 -37.975 21.266 8.487 1.00 0.00 O ATOM 385 CB CYS A 26 -36.004 20.144 6.953 1.00 0.00 C ATOM 386 SG CYS A 26 -34.623 19.510 5.971 1.00 0.00 S ATOM 0 H CYS A 26 -34.661 18.692 8.600 1.00 0.00 H new ATOM 0 HA CYS A 26 -35.096 21.511 8.335 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -36.768 19.369 7.011 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -36.445 20.987 6.421 1.00 0.00 H new ATOM 391 N GLN A 27 -37.041 20.425 10.317 1.00 0.00 N ATOM 392 CA GLN A 27 -38.247 20.548 11.169 1.00 0.00 C ATOM 393 C GLN A 27 -37.840 21.510 12.293 1.00 0.00 C ATOM 394 O GLN A 27 -36.735 21.996 12.232 1.00 0.00 O ATOM 395 CB GLN A 27 -38.630 19.165 11.762 1.00 0.00 C ATOM 396 CG GLN A 27 -37.368 18.352 12.219 1.00 0.00 C ATOM 397 CD GLN A 27 -36.950 17.398 11.108 1.00 0.00 C ATOM 398 OE1 GLN A 27 -36.440 16.329 11.352 1.00 0.00 O ATOM 399 NE2 GLN A 27 -37.147 17.746 9.872 1.00 0.00 N ATOM 0 H GLN A 27 -36.236 20.026 10.799 1.00 0.00 H new ATOM 0 HA GLN A 27 -39.111 20.908 10.609 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -39.297 19.307 12.612 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -39.181 18.591 11.017 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -36.550 19.032 12.456 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -37.591 17.793 13.128 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -37.577 18.646 9.658 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -36.872 17.119 9.116 1.00 0.00 H new ATOM 408 N GLY A 28 -38.685 21.750 13.270 1.00 0.00 N ATOM 409 CA GLY A 28 -38.362 22.687 14.419 1.00 0.00 C ATOM 410 C GLY A 28 -37.087 23.529 14.222 1.00 0.00 C ATOM 411 O GLY A 28 -37.177 24.689 13.876 1.00 0.00 O ATOM 0 H GLY A 28 -39.612 21.328 13.328 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -39.206 23.360 14.570 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -38.256 22.099 15.331 1.00 0.00 H new ATOM 415 N LYS A 29 -35.950 22.922 14.454 1.00 0.00 N ATOM 416 CA LYS A 29 -34.634 23.628 14.289 1.00 0.00 C ATOM 417 C LYS A 29 -34.637 24.496 13.010 1.00 0.00 C ATOM 418 O LYS A 29 -34.317 25.667 13.056 1.00 0.00 O ATOM 419 CB LYS A 29 -33.536 22.560 14.220 1.00 0.00 C ATOM 420 CG LYS A 29 -32.139 23.213 14.083 1.00 0.00 C ATOM 421 CD LYS A 29 -31.090 22.409 14.888 1.00 0.00 C ATOM 422 CE LYS A 29 -30.561 23.261 16.056 1.00 0.00 C ATOM 423 NZ LYS A 29 -30.041 22.373 17.133 1.00 0.00 N ATOM 0 H LYS A 29 -35.873 21.951 14.756 1.00 0.00 H new ATOM 0 HA LYS A 29 -34.455 24.296 15.131 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -33.567 21.942 15.118 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -33.718 21.900 13.372 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -31.850 23.252 13.033 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -32.174 24.241 14.443 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -31.537 21.491 15.269 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -30.266 22.116 14.238 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -29.770 23.924 15.705 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -31.358 23.894 16.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -29.685 22.953 17.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -30.806 21.758 17.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -29.268 21.787 16.757 1.00 0.00 H new ATOM 437 N TRP A 30 -35.001 23.900 11.903 1.00 0.00 N ATOM 438 CA TRP A 30 -35.047 24.646 10.610 1.00 0.00 C ATOM 439 C TRP A 30 -36.526 24.834 10.214 1.00 0.00 C ATOM 440 O TRP A 30 -36.864 24.753 9.046 1.00 0.00 O ATOM 441 CB TRP A 30 -34.373 23.866 9.471 1.00 0.00 C ATOM 442 CG TRP A 30 -32.871 23.717 9.635 1.00 0.00 C ATOM 443 CD1 TRP A 30 -32.230 22.981 10.567 1.00 0.00 C ATOM 444 CD2 TRP A 30 -31.885 24.268 8.882 1.00 0.00 C ATOM 445 NE1 TRP A 30 -30.931 23.036 10.448 1.00 0.00 N ATOM 446 CE2 TRP A 30 -30.680 23.818 9.424 1.00 0.00 C ATOM 447 CE3 TRP A 30 -31.897 25.099 7.781 1.00 0.00 C ATOM 448 CZ2 TRP A 30 -29.480 24.220 8.835 1.00 0.00 C ATOM 449 CZ3 TRP A 30 -30.714 25.496 7.202 1.00 0.00 C ATOM 450 CH2 TRP A 30 -29.498 25.063 7.720 1.00 0.00 C ATOM 0 H TRP A 30 -35.271 22.918 11.840 1.00 0.00 H new ATOM 0 HA TRP A 30 -34.524 25.592 10.751 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -34.822 22.875 9.407 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -34.578 24.371 8.527 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -32.737 22.408 11.329 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -30.245 22.563 11.036 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -32.837 25.439 7.373 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -28.538 23.880 9.240 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -30.730 26.147 6.341 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -28.571 25.377 7.263 1.00 0.00 H new ATOM 461 N ALA A 31 -37.371 25.083 11.179 1.00 0.00 N ATOM 462 CA ALA A 31 -38.839 25.283 10.942 1.00 0.00 C ATOM 463 C ALA A 31 -39.142 26.390 9.931 1.00 0.00 C ATOM 464 O ALA A 31 -39.547 27.485 10.277 1.00 0.00 O ATOM 465 CB ALA A 31 -39.513 25.610 12.286 1.00 0.00 C ATOM 0 H ALA A 31 -37.097 25.159 12.159 1.00 0.00 H new ATOM 0 HA ALA A 31 -39.232 24.360 10.516 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -40.582 25.758 12.131 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -39.359 24.785 12.981 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -39.077 26.519 12.700 1.00 0.00 H new ATOM 471 N GLY A 32 -38.926 26.052 8.691 1.00 0.00 N ATOM 472 CA GLY A 32 -39.184 27.046 7.606 1.00 0.00 C ATOM 473 C GLY A 32 -37.873 27.548 7.044 1.00 0.00 C ATOM 474 O GLY A 32 -37.829 28.287 6.083 1.00 0.00 O ATOM 0 H GLY A 32 -38.586 25.142 8.381 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -39.777 26.588 6.815 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -39.765 27.881 7.997 1.00 0.00 H new ATOM 478 N LYS A 33 -36.830 27.106 7.687 1.00 0.00 N ATOM 479 CA LYS A 33 -35.448 27.473 7.280 1.00 0.00 C ATOM 480 C LYS A 33 -35.073 26.395 6.253 1.00 0.00 C ATOM 481 O LYS A 33 -33.999 26.424 5.683 1.00 0.00 O ATOM 482 CB LYS A 33 -34.518 27.401 8.507 1.00 0.00 C ATOM 483 CG LYS A 33 -35.018 28.328 9.637 1.00 0.00 C ATOM 484 CD LYS A 33 -35.189 29.778 9.119 1.00 0.00 C ATOM 485 CE LYS A 33 -34.848 30.771 10.237 1.00 0.00 C ATOM 486 NZ LYS A 33 -33.370 30.924 10.346 1.00 0.00 N ATOM 0 H LYS A 33 -36.880 26.490 8.498 1.00 0.00 H new ATOM 0 HA LYS A 33 -35.365 28.481 6.874 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -34.468 26.374 8.870 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -33.507 27.687 8.218 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -35.969 27.960 10.023 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -34.311 28.314 10.466 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -34.540 29.946 8.260 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -36.213 29.935 8.780 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -35.308 31.737 10.030 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -35.257 30.420 11.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -33.146 31.598 11.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -32.941 30.002 10.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -32.990 31.279 9.445 1.00 0.00 H new ATOM 500 N ARG A 34 -35.993 25.471 6.062 1.00 0.00 N ATOM 501 CA ARG A 34 -35.851 24.327 5.106 1.00 0.00 C ATOM 502 C ARG A 34 -34.963 24.709 3.929 1.00 0.00 C ATOM 503 O ARG A 34 -34.097 23.948 3.544 1.00 0.00 O ATOM 504 CB ARG A 34 -37.266 23.923 4.607 1.00 0.00 C ATOM 505 CG ARG A 34 -37.186 22.940 3.398 1.00 0.00 C ATOM 506 CD ARG A 34 -36.469 21.619 3.828 1.00 0.00 C ATOM 507 NE ARG A 34 -37.420 20.504 4.148 1.00 0.00 N ATOM 508 CZ ARG A 34 -38.707 20.689 4.149 1.00 0.00 C ATOM 509 NH1 ARG A 34 -39.352 20.518 3.031 1.00 0.00 N ATOM 510 NH2 ARG A 34 -39.284 21.041 5.267 1.00 0.00 N ATOM 0 H ARG A 34 -36.883 25.470 6.561 1.00 0.00 H new ATOM 0 HA ARG A 34 -35.380 23.485 5.614 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -37.821 23.456 5.421 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -37.819 24.816 4.316 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -38.189 22.717 3.033 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -36.644 23.406 2.575 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -35.801 21.299 3.028 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -35.848 21.819 4.701 1.00 0.00 H new ATOM 0 HE ARG A 34 -37.049 19.580 4.370 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -38.847 20.247 2.187 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -40.362 20.655 2.999 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -38.726 21.164 6.112 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -40.292 21.192 5.295 1.00 0.00 H new ATOM 524 N GLY A 35 -35.240 25.885 3.417 1.00 0.00 N ATOM 525 CA GLY A 35 -34.500 26.484 2.261 1.00 0.00 C ATOM 526 C GLY A 35 -33.083 25.946 2.190 1.00 0.00 C ATOM 527 O GLY A 35 -32.604 25.615 1.123 1.00 0.00 O ATOM 0 H GLY A 35 -35.987 26.482 3.773 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -35.025 26.261 1.332 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -34.477 27.569 2.361 1.00 0.00 H new ATOM 531 N LYS A 36 -32.461 25.882 3.341 1.00 0.00 N ATOM 532 CA LYS A 36 -31.068 25.365 3.387 1.00 0.00 C ATOM 533 C LYS A 36 -30.827 24.253 4.422 1.00 0.00 C ATOM 534 O LYS A 36 -29.685 23.850 4.518 1.00 0.00 O ATOM 535 CB LYS A 36 -30.123 26.564 3.660 1.00 0.00 C ATOM 536 CG LYS A 36 -28.905 26.478 2.717 1.00 0.00 C ATOM 537 CD LYS A 36 -27.871 27.557 3.087 1.00 0.00 C ATOM 538 CE LYS A 36 -28.452 28.961 2.834 1.00 0.00 C ATOM 539 NZ LYS A 36 -27.339 29.929 2.647 1.00 0.00 N ATOM 0 H LYS A 36 -32.856 26.163 4.239 1.00 0.00 H new ATOM 0 HA LYS A 36 -30.867 24.896 2.424 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -30.654 27.503 3.503 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -29.794 26.554 4.699 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -28.451 25.489 2.786 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -29.226 26.610 1.684 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -27.589 27.456 4.135 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -26.964 27.419 2.498 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -29.090 28.949 1.951 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -29.076 29.265 3.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -27.729 30.878 2.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -26.747 29.947 3.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -26.761 29.640 1.832 1.00 0.00 H new ATOM 553 N CYS A 37 -31.821 23.766 5.142 1.00 0.00 N ATOM 554 CA CYS A 37 -31.554 22.672 6.161 1.00 0.00 C ATOM 555 C CYS A 37 -30.690 21.639 5.503 1.00 0.00 C ATOM 556 O CYS A 37 -29.679 21.155 5.981 1.00 0.00 O ATOM 557 CB CYS A 37 -32.853 21.948 6.611 1.00 0.00 C ATOM 558 SG CYS A 37 -33.763 21.191 5.238 1.00 0.00 S ATOM 0 H CYS A 37 -32.793 24.069 5.074 1.00 0.00 H new ATOM 0 HA CYS A 37 -31.091 23.134 7.033 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -32.598 21.177 7.338 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -33.502 22.662 7.118 1.00 0.00 H new ATOM 563 N ALA A 38 -31.209 21.367 4.349 1.00 0.00 N ATOM 564 CA ALA A 38 -30.580 20.378 3.491 1.00 0.00 C ATOM 565 C ALA A 38 -29.335 20.870 2.829 1.00 0.00 C ATOM 566 O ALA A 38 -28.275 20.433 3.232 1.00 0.00 O ATOM 567 CB ALA A 38 -31.633 19.968 2.504 1.00 0.00 C ATOM 0 H ALA A 38 -32.052 21.800 3.971 1.00 0.00 H new ATOM 0 HA ALA A 38 -30.233 19.529 4.079 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -31.223 19.221 1.824 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -32.486 19.546 3.036 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -31.956 20.839 1.934 1.00 0.00 H new ATOM 573 N ALA A 39 -29.489 21.724 1.849 1.00 0.00 N ATOM 574 CA ALA A 39 -28.307 22.285 1.120 1.00 0.00 C ATOM 575 C ALA A 39 -27.116 22.357 2.069 1.00 0.00 C ATOM 576 O ALA A 39 -26.105 21.712 1.872 1.00 0.00 O ATOM 577 CB ALA A 39 -28.650 23.688 0.604 1.00 0.00 C ATOM 0 H ALA A 39 -30.393 22.061 1.518 1.00 0.00 H new ATOM 0 HA ALA A 39 -28.054 21.643 0.276 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -27.792 24.100 0.073 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -29.502 23.628 -0.073 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -28.900 24.334 1.445 1.00 0.00 H new ATOM 583 N HIS A 40 -27.329 23.151 3.087 1.00 0.00 N ATOM 584 CA HIS A 40 -26.288 23.353 4.123 1.00 0.00 C ATOM 585 C HIS A 40 -25.566 22.068 4.451 1.00 0.00 C ATOM 586 O HIS A 40 -24.355 22.031 4.346 1.00 0.00 O ATOM 587 CB HIS A 40 -26.910 23.894 5.425 1.00 0.00 C ATOM 588 CG HIS A 40 -25.800 24.118 6.510 1.00 0.00 C ATOM 589 ND1 HIS A 40 -24.648 23.484 6.555 1.00 0.00 N ATOM 590 CD2 HIS A 40 -25.862 24.998 7.571 1.00 0.00 C ATOM 591 CE1 HIS A 40 -24.095 24.001 7.612 1.00 0.00 C ATOM 592 NE2 HIS A 40 -24.761 24.912 8.269 1.00 0.00 N ATOM 0 H HIS A 40 -28.193 23.672 3.241 1.00 0.00 H new ATOM 0 HA HIS A 40 -25.579 24.072 3.713 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -27.427 24.833 5.226 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -27.656 23.192 5.798 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -24.283 22.771 5.924 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -26.691 25.655 7.790 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -23.114 23.686 7.937 1.00 0.00 H new ATOM 600 N CYS A 41 -26.289 21.046 4.816 1.00 0.00 N ATOM 601 CA CYS A 41 -25.560 19.792 5.158 1.00 0.00 C ATOM 602 C CYS A 41 -25.322 18.817 4.031 1.00 0.00 C ATOM 603 O CYS A 41 -24.532 17.896 4.151 1.00 0.00 O ATOM 604 CB CYS A 41 -26.338 19.169 6.302 1.00 0.00 C ATOM 605 SG CYS A 41 -25.504 19.521 7.871 1.00 0.00 S ATOM 0 H CYS A 41 -27.306 21.020 4.891 1.00 0.00 H new ATOM 0 HA CYS A 41 -24.537 20.053 5.427 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -27.353 19.565 6.322 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -26.419 18.092 6.156 1.00 0.00 H new ATOM 610 N ILE A 42 -25.976 19.033 2.931 1.00 0.00 N ATOM 611 CA ILE A 42 -25.758 18.087 1.811 1.00 0.00 C ATOM 612 C ILE A 42 -24.435 18.507 1.161 1.00 0.00 C ATOM 613 O ILE A 42 -23.716 17.679 0.632 1.00 0.00 O ATOM 614 CB ILE A 42 -26.997 18.195 0.864 1.00 0.00 C ATOM 615 CG1 ILE A 42 -27.236 16.827 0.163 1.00 0.00 C ATOM 616 CG2 ILE A 42 -26.779 19.275 -0.203 1.00 0.00 C ATOM 617 CD1 ILE A 42 -28.558 16.852 -0.656 1.00 0.00 C ATOM 0 H ILE A 42 -26.631 19.796 2.760 1.00 0.00 H new ATOM 0 HA ILE A 42 -25.676 17.040 2.104 1.00 0.00 H new ATOM 0 HB ILE A 42 -27.865 18.467 1.465 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -26.398 16.599 -0.496 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -27.279 16.033 0.909 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -27.655 19.330 -0.849 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -26.624 20.239 0.281 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -25.903 19.024 -0.801 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -28.706 15.886 -1.138 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -29.395 17.057 0.011 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -28.501 17.631 -1.416 1.00 0.00 H new ATOM 629 N ILE A 43 -24.130 19.784 1.210 1.00 0.00 N ATOM 630 CA ILE A 43 -22.847 20.238 0.600 1.00 0.00 C ATOM 631 C ILE A 43 -21.721 19.616 1.440 1.00 0.00 C ATOM 632 O ILE A 43 -20.604 19.486 0.985 1.00 0.00 O ATOM 633 CB ILE A 43 -22.757 21.777 0.656 1.00 0.00 C ATOM 634 CG1 ILE A 43 -23.991 22.409 -0.025 1.00 0.00 C ATOM 635 CG2 ILE A 43 -21.492 22.240 -0.088 1.00 0.00 C ATOM 636 CD1 ILE A 43 -24.366 23.703 0.730 1.00 0.00 C ATOM 0 H ILE A 43 -24.702 20.513 1.636 1.00 0.00 H new ATOM 0 HA ILE A 43 -22.774 19.934 -0.444 1.00 0.00 H new ATOM 0 HB ILE A 43 -22.719 22.089 1.700 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -23.774 22.631 -1.070 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -24.827 21.710 -0.015 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -21.425 23.327 -0.050 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -20.612 21.806 0.386 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -21.542 21.915 -1.127 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -25.236 24.160 0.259 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -24.598 23.464 1.768 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -23.528 24.399 0.697 1.00 0.00 H new ATOM 648 N GLN A 44 -22.050 19.233 2.648 1.00 0.00 N ATOM 649 CA GLN A 44 -21.036 18.615 3.563 1.00 0.00 C ATOM 650 C GLN A 44 -20.826 17.146 3.149 1.00 0.00 C ATOM 651 O GLN A 44 -19.740 16.797 2.728 1.00 0.00 O ATOM 652 CB GLN A 44 -21.551 18.704 5.038 1.00 0.00 C ATOM 653 CG GLN A 44 -20.985 19.957 5.778 1.00 0.00 C ATOM 654 CD GLN A 44 -21.707 21.231 5.333 1.00 0.00 C ATOM 655 OE1 GLN A 44 -22.357 21.909 6.102 1.00 0.00 O ATOM 656 NE2 GLN A 44 -21.630 21.610 4.092 1.00 0.00 N ATOM 0 H GLN A 44 -22.985 19.322 3.045 1.00 0.00 H new ATOM 0 HA GLN A 44 -20.086 19.145 3.494 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -22.640 18.742 5.040 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -21.263 17.802 5.578 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -21.097 19.829 6.855 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -19.918 20.051 5.577 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -21.091 21.060 3.423 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -22.109 22.457 3.787 1.00 0.00 H new ATOM 665 N LYS A 45 -21.853 16.331 3.271 1.00 0.00 N ATOM 666 CA LYS A 45 -21.758 14.870 2.888 1.00 0.00 C ATOM 667 C LYS A 45 -21.138 14.704 1.511 1.00 0.00 C ATOM 668 O LYS A 45 -20.602 13.663 1.189 1.00 0.00 O ATOM 669 CB LYS A 45 -23.190 14.248 2.939 1.00 0.00 C ATOM 670 CG LYS A 45 -24.023 14.390 1.628 1.00 0.00 C ATOM 671 CD LYS A 45 -24.088 13.014 0.905 1.00 0.00 C ATOM 672 CE LYS A 45 -24.882 13.129 -0.419 1.00 0.00 C ATOM 673 NZ LYS A 45 -24.052 12.642 -1.565 1.00 0.00 N ATOM 0 H LYS A 45 -22.767 16.615 3.624 1.00 0.00 H new ATOM 0 HA LYS A 45 -21.109 14.350 3.593 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -23.100 13.189 3.181 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -23.743 14.715 3.754 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -25.029 14.739 1.860 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -23.569 15.135 0.975 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -23.079 12.657 0.700 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -24.560 12.278 1.555 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -25.800 12.546 -0.352 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -25.174 14.166 -0.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -24.596 12.724 -2.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -23.188 13.216 -1.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -23.795 11.647 -1.409 1.00 0.00 H new ATOM 687 N ASN A 46 -21.237 15.754 0.740 1.00 0.00 N ATOM 688 CA ASN A 46 -20.665 15.741 -0.637 1.00 0.00 C ATOM 689 C ASN A 46 -19.229 16.255 -0.485 1.00 0.00 C ATOM 690 O ASN A 46 -18.323 15.474 -0.683 1.00 0.00 O ATOM 691 CB ASN A 46 -21.484 16.669 -1.562 1.00 0.00 C ATOM 692 CG ASN A 46 -22.657 15.885 -2.151 1.00 0.00 C ATOM 693 OD1 ASN A 46 -22.578 15.300 -3.213 1.00 0.00 O ATOM 694 ND2 ASN A 46 -23.778 15.841 -1.496 1.00 0.00 N ATOM 0 H ASN A 46 -21.693 16.626 1.008 1.00 0.00 H new ATOM 0 HA ASN A 46 -20.689 14.747 -1.083 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -21.851 17.529 -1.002 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -20.852 17.056 -2.361 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -24.570 15.322 -1.875 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -23.866 16.325 -0.602 1.00 0.00 H new ATOM 701 N ASN A 47 -19.041 17.516 -0.147 1.00 0.00 N ATOM 702 CA ASN A 47 -17.650 18.094 0.025 1.00 0.00 C ATOM 703 C ASN A 47 -16.660 17.067 0.592 1.00 0.00 C ATOM 704 O ASN A 47 -15.548 16.920 0.131 1.00 0.00 O ATOM 705 CB ASN A 47 -17.679 19.302 0.991 1.00 0.00 C ATOM 706 CG ASN A 47 -18.100 20.587 0.268 1.00 0.00 C ATOM 707 OD1 ASN A 47 -18.459 20.602 -0.890 1.00 0.00 O ATOM 708 ND2 ASN A 47 -18.080 21.716 0.907 1.00 0.00 N ATOM 0 H ASN A 47 -19.797 18.180 0.020 1.00 0.00 H new ATOM 0 HA ASN A 47 -17.321 18.398 -0.969 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -18.371 19.099 1.809 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -16.693 19.439 1.435 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -18.360 22.575 0.434 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -17.784 21.745 1.883 1.00 0.00 H new ATOM 715 N CYS A 48 -17.136 16.400 1.606 1.00 0.00 N ATOM 716 CA CYS A 48 -16.361 15.339 2.331 1.00 0.00 C ATOM 717 C CYS A 48 -15.663 14.388 1.331 1.00 0.00 C ATOM 718 O CYS A 48 -14.478 14.104 1.392 1.00 0.00 O ATOM 719 CB CYS A 48 -17.369 14.586 3.226 1.00 0.00 C ATOM 720 SG CYS A 48 -16.877 14.099 4.900 1.00 0.00 S ATOM 0 H CYS A 48 -18.072 16.551 1.982 1.00 0.00 H new ATOM 0 HA CYS A 48 -15.568 15.776 2.938 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -18.258 15.210 3.314 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -17.666 13.681 2.696 1.00 0.00 H new ATOM 725 N LYS A 49 -16.453 13.920 0.397 1.00 0.00 N ATOM 726 CA LYS A 49 -15.935 12.977 -0.658 1.00 0.00 C ATOM 727 C LYS A 49 -14.857 13.598 -1.554 1.00 0.00 C ATOM 728 O LYS A 49 -14.260 12.931 -2.374 1.00 0.00 O ATOM 729 CB LYS A 49 -17.121 12.507 -1.538 1.00 0.00 C ATOM 730 CG LYS A 49 -17.580 11.096 -1.099 1.00 0.00 C ATOM 731 CD LYS A 49 -17.584 10.136 -2.307 1.00 0.00 C ATOM 732 CE LYS A 49 -18.835 10.390 -3.166 1.00 0.00 C ATOM 733 NZ LYS A 49 -18.463 10.403 -4.608 1.00 0.00 N ATOM 0 H LYS A 49 -17.443 14.149 0.315 1.00 0.00 H new ATOM 0 HA LYS A 49 -15.468 12.140 -0.138 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -17.949 13.211 -1.452 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -16.823 12.492 -2.586 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -16.915 10.714 -0.324 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -18.578 11.149 -0.665 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -16.684 10.284 -2.904 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -17.571 9.102 -1.962 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -19.579 9.615 -2.980 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -19.290 11.341 -2.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -19.312 10.575 -5.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -17.769 11.158 -4.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -18.048 9.485 -4.868 1.00 0.00 H new ATOM 747 N GLY A 50 -14.632 14.868 -1.374 1.00 0.00 N ATOM 748 CA GLY A 50 -13.605 15.597 -2.177 1.00 0.00 C ATOM 749 C GLY A 50 -12.420 15.956 -1.287 1.00 0.00 C ATOM 750 O GLY A 50 -11.576 16.748 -1.664 1.00 0.00 O ATOM 0 H GLY A 50 -15.124 15.445 -0.692 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -13.273 14.977 -3.010 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -14.038 16.501 -2.605 1.00 0.00 H new ATOM 754 N LYS A 51 -12.402 15.356 -0.124 1.00 0.00 N ATOM 755 CA LYS A 51 -11.295 15.616 0.845 1.00 0.00 C ATOM 756 C LYS A 51 -10.453 14.340 0.999 1.00 0.00 C ATOM 757 O LYS A 51 -9.240 14.386 0.928 1.00 0.00 O ATOM 758 CB LYS A 51 -11.956 16.099 2.199 1.00 0.00 C ATOM 759 CG LYS A 51 -12.073 15.021 3.323 1.00 0.00 C ATOM 760 CD LYS A 51 -13.033 15.536 4.441 1.00 0.00 C ATOM 761 CE LYS A 51 -12.489 15.205 5.858 1.00 0.00 C ATOM 762 NZ LYS A 51 -12.008 16.451 6.535 1.00 0.00 N ATOM 0 H LYS A 51 -13.109 14.695 0.197 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.614 16.395 0.502 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -11.376 16.937 2.585 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -12.955 16.477 1.979 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -12.450 14.086 2.907 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.089 14.810 3.743 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -13.162 16.614 4.343 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -14.017 15.084 4.313 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.272 14.738 6.455 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.673 14.486 5.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -11.647 16.215 7.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.247 16.881 5.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.796 17.124 6.623 1.00 0.00 H new ATOM 776 N CYS A 52 -11.128 13.241 1.209 1.00 0.00 N ATOM 777 CA CYS A 52 -10.455 11.912 1.381 1.00 0.00 C ATOM 778 C CYS A 52 -10.496 11.000 0.143 1.00 0.00 C ATOM 779 O CYS A 52 -9.569 10.253 -0.105 1.00 0.00 O ATOM 780 CB CYS A 52 -11.115 11.181 2.556 1.00 0.00 C ATOM 781 SG CYS A 52 -10.227 11.133 4.135 1.00 0.00 S ATOM 0 H CYS A 52 -12.145 13.205 1.271 1.00 0.00 H new ATOM 0 HA CYS A 52 -9.401 12.125 1.559 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -12.086 11.643 2.733 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -11.302 10.153 2.247 1.00 0.00 H new ATOM 786 N LYS A 53 -11.565 11.082 -0.604 1.00 0.00 N ATOM 787 CA LYS A 53 -11.696 10.225 -1.820 1.00 0.00 C ATOM 788 C LYS A 53 -11.199 10.967 -3.053 1.00 0.00 C ATOM 789 O LYS A 53 -11.155 12.181 -3.096 1.00 0.00 O ATOM 790 CB LYS A 53 -13.182 9.823 -2.038 1.00 0.00 C ATOM 791 CG LYS A 53 -13.747 8.987 -0.852 1.00 0.00 C ATOM 792 CD LYS A 53 -14.534 7.775 -1.420 1.00 0.00 C ATOM 793 CE LYS A 53 -15.379 7.087 -0.325 1.00 0.00 C ATOM 794 NZ LYS A 53 -15.882 5.773 -0.833 1.00 0.00 N ATOM 0 H LYS A 53 -12.353 11.705 -0.425 1.00 0.00 H new ATOM 0 HA LYS A 53 -11.092 9.330 -1.669 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -13.785 10.722 -2.166 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -13.269 9.248 -2.960 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -12.934 8.642 -0.213 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -14.399 9.603 -0.233 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -15.185 8.109 -2.228 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -13.837 7.055 -1.849 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -14.778 6.936 0.572 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -16.217 7.725 -0.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -16.451 5.310 -0.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -16.470 5.929 -1.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -15.076 5.165 -1.081 1.00 0.00 H new ATOM 808 N LYS A 54 -10.841 10.179 -4.033 1.00 0.00 N ATOM 809 CA LYS A 54 -10.322 10.732 -5.321 1.00 0.00 C ATOM 810 C LYS A 54 -11.390 10.645 -6.427 1.00 0.00 C ATOM 811 O LYS A 54 -11.146 10.999 -7.562 1.00 0.00 O ATOM 812 CB LYS A 54 -9.054 9.917 -5.699 1.00 0.00 C ATOM 813 CG LYS A 54 -7.969 10.056 -4.589 1.00 0.00 C ATOM 814 CD LYS A 54 -7.710 8.685 -3.891 1.00 0.00 C ATOM 815 CE LYS A 54 -6.431 8.016 -4.450 1.00 0.00 C ATOM 816 NZ LYS A 54 -6.530 7.813 -5.925 1.00 0.00 N ATOM 0 H LYS A 54 -10.887 9.161 -3.995 1.00 0.00 H new ATOM 0 HA LYS A 54 -10.073 11.787 -5.210 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.315 8.867 -5.832 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.657 10.270 -6.651 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -7.042 10.428 -5.025 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.290 10.790 -3.850 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.608 8.833 -2.816 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.566 8.027 -4.043 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.564 8.636 -4.223 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.274 7.056 -3.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.723 7.244 -6.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.417 7.317 -6.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.519 8.736 -6.404 1.00 0.00 H new ATOM 830 N GLU A 55 -12.553 10.175 -6.056 1.00 0.00 N ATOM 831 CA GLU A 55 -13.689 10.033 -7.026 1.00 0.00 C ATOM 832 C GLU A 55 -15.012 10.553 -6.426 1.00 0.00 C ATOM 833 O GLU A 55 -15.160 10.383 -5.226 1.00 0.00 O ATOM 834 CB GLU A 55 -13.818 8.542 -7.407 1.00 0.00 C ATOM 835 CG GLU A 55 -14.118 8.394 -8.920 1.00 0.00 C ATOM 836 CD GLU A 55 -13.380 7.156 -9.467 1.00 0.00 C ATOM 837 OE1 GLU A 55 -13.802 6.067 -9.106 1.00 0.00 O ATOM 838 OE2 GLU A 55 -12.437 7.365 -10.214 1.00 0.00 O ATOM 839 OXT GLU A 55 -15.803 11.083 -7.189 1.00 0.00 O ATOM 0 H GLU A 55 -12.770 9.877 -5.105 1.00 0.00 H new ATOM 0 HA GLU A 55 -13.482 10.633 -7.912 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -12.896 8.016 -7.160 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -14.615 8.079 -6.825 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -15.191 8.293 -9.081 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -13.798 9.288 -9.455 1.00 0.00 H new TER 846 GLU A 55