USER MOD reduce.3.24.130724 H: found=0, std=0, add=253, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 252 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 ASN : amide:sc= -9.39! C(o=-10!,f=-11!) USER MOD Set 1.2: A 28 GLN : amide:sc= -0.697 K(o=-10,f=-11) USER MOD Set 2.1: A 22 TYR OH : rot 130:sc= -0.763 USER MOD Set 2.2: A 27 GLN :FLIP amide:sc= 0.0617 F(o=-3.1!,f=-0.7) USER MOD Single : A 1 CYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0.0225 USER MOD Single : A 4 LYS NZ :NH3+ 160:sc= -4.28! (180deg=-5.16!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 160:sc= -0.218 (180deg=-0.903) USER MOD Single : A 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= -0.0326 USER MOD Single : A 19 ASN : amide:sc= -1.58 K(o=-1.6,f=-6.4!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= -0.809 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 4.647 -9.484 -1.831 1.00 0.00 N ATOM 2 CA CYS A 1 3.486 -8.712 -1.310 1.00 0.00 C ATOM 3 C CYS A 1 3.809 -8.156 0.081 1.00 0.00 C ATOM 4 O CYS A 1 3.924 -8.887 1.043 1.00 0.00 O ATOM 5 CB CYS A 1 2.239 -9.612 -1.248 1.00 0.00 C ATOM 6 SG CYS A 1 2.118 -10.432 0.366 1.00 0.00 S ATOM 0 H1 CYS A 1 4.420 -9.858 -2.775 1.00 0.00 H new ATOM 0 H2 CYS A 1 5.477 -8.861 -1.896 1.00 0.00 H new ATOM 0 H3 CYS A 1 4.856 -10.273 -1.187 1.00 0.00 H new ATOM 0 HA CYS A 1 3.283 -7.879 -1.983 1.00 0.00 H new ATOM 0 HB2 CYS A 1 1.345 -9.015 -1.426 1.00 0.00 H new ATOM 0 HB3 CYS A 1 2.285 -10.361 -2.039 1.00 0.00 H new ATOM 13 N GLY A 2 3.950 -6.864 0.202 1.00 0.00 N ATOM 14 CA GLY A 2 4.248 -6.286 1.537 1.00 0.00 C ATOM 15 C GLY A 2 3.037 -6.516 2.442 1.00 0.00 C ATOM 16 O GLY A 2 1.914 -6.584 1.983 1.00 0.00 O ATOM 0 H GLY A 2 3.872 -6.191 -0.561 1.00 0.00 H new ATOM 0 HA2 GLY A 2 5.135 -6.754 1.964 1.00 0.00 H new ATOM 0 HA3 GLY A 2 4.460 -5.220 1.450 1.00 0.00 H new ATOM 20 N SER A 3 3.250 -6.637 3.720 1.00 0.00 N ATOM 21 CA SER A 3 2.105 -6.866 4.645 1.00 0.00 C ATOM 22 C SER A 3 1.656 -5.525 5.218 1.00 0.00 C ATOM 23 O SER A 3 2.190 -4.487 4.882 1.00 0.00 O ATOM 24 CB SER A 3 2.546 -7.783 5.787 1.00 0.00 C ATOM 25 OG SER A 3 1.395 -8.280 6.458 1.00 0.00 O ATOM 0 H SER A 3 4.166 -6.588 4.166 1.00 0.00 H new ATOM 0 HA SER A 3 1.282 -7.333 4.104 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.140 -8.610 5.397 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.180 -7.236 6.484 1.00 0.00 H new ATOM 0 HG SER A 3 1.672 -8.870 7.190 1.00 0.00 H new ATOM 31 N LYS A 4 0.682 -5.536 6.083 1.00 0.00 N ATOM 32 CA LYS A 4 0.206 -4.258 6.679 1.00 0.00 C ATOM 33 C LYS A 4 1.433 -3.469 7.145 1.00 0.00 C ATOM 34 O LYS A 4 2.224 -3.945 7.933 1.00 0.00 O ATOM 35 CB LYS A 4 -0.719 -4.600 7.856 1.00 0.00 C ATOM 36 CG LYS A 4 -1.321 -3.335 8.475 1.00 0.00 C ATOM 37 CD LYS A 4 -2.407 -3.748 9.479 1.00 0.00 C ATOM 38 CE LYS A 4 -2.648 -2.628 10.495 1.00 0.00 C ATOM 39 NZ LYS A 4 -2.501 -1.303 9.833 1.00 0.00 N ATOM 0 H LYS A 4 0.195 -6.373 6.403 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.349 -3.653 5.962 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -1.519 -5.256 7.514 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -0.159 -5.148 8.614 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -0.546 -2.753 8.974 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -1.746 -2.700 7.698 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -3.333 -3.974 8.950 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -2.105 -4.659 9.997 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -3.646 -2.722 10.923 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -1.939 -2.713 11.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -2.980 -0.576 10.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -1.492 -1.067 9.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -2.928 -1.339 8.885 1.00 0.00 H new ATOM 53 N ARG A 5 1.617 -2.280 6.624 1.00 0.00 N ATOM 54 CA ARG A 5 2.815 -1.477 6.996 1.00 0.00 C ATOM 55 C ARG A 5 4.071 -2.280 6.633 1.00 0.00 C ATOM 56 O ARG A 5 4.617 -2.988 7.453 1.00 0.00 O ATOM 57 CB ARG A 5 2.811 -1.182 8.502 1.00 0.00 C ATOM 58 CG ARG A 5 1.599 -0.317 8.867 1.00 0.00 C ATOM 59 CD ARG A 5 1.756 1.088 8.271 1.00 0.00 C ATOM 60 NE ARG A 5 0.986 2.065 9.102 1.00 0.00 N ATOM 61 CZ ARG A 5 1.602 3.015 9.767 1.00 0.00 C ATOM 62 NH1 ARG A 5 2.904 3.129 9.713 1.00 0.00 N ATOM 63 NH2 ARG A 5 0.910 3.850 10.489 1.00 0.00 N ATOM 0 H ARG A 5 0.987 -1.834 5.957 1.00 0.00 H new ATOM 0 HA ARG A 5 2.802 -0.530 6.457 1.00 0.00 H new ATOM 0 HB2 ARG A 5 2.783 -2.116 9.063 1.00 0.00 H new ATOM 0 HB3 ARG A 5 3.731 -0.669 8.782 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.686 -0.780 8.492 1.00 0.00 H new ATOM 0 HG3 ARG A 5 1.502 -0.252 9.951 1.00 0.00 H new ATOM 0 HD2 ARG A 5 2.809 1.368 8.242 1.00 0.00 H new ATOM 0 HD3 ARG A 5 1.394 1.102 7.243 1.00 0.00 H new ATOM 0 HE ARG A 5 -0.030 1.992 9.153 1.00 0.00 H new ATOM 0 HH11 ARG A 5 3.450 2.476 9.151 1.00 0.00 H new ATOM 0 HH12 ARG A 5 3.373 3.870 10.233 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -0.105 3.764 10.536 1.00 0.00 H new ATOM 0 HH22 ARG A 5 1.384 4.590 11.008 1.00 0.00 H new ATOM 77 N ALA A 6 4.532 -2.175 5.408 1.00 0.00 N ATOM 78 CA ALA A 6 5.750 -2.944 4.995 1.00 0.00 C ATOM 79 C ALA A 6 6.135 -2.616 3.545 1.00 0.00 C ATOM 80 O ALA A 6 5.300 -2.351 2.706 1.00 0.00 O ATOM 81 CB ALA A 6 5.465 -4.446 5.100 1.00 0.00 C ATOM 0 H ALA A 6 4.119 -1.593 4.679 1.00 0.00 H new ATOM 0 HA ALA A 6 6.572 -2.666 5.654 1.00 0.00 H new ATOM 0 HB1 ALA A 6 6.350 -5.006 4.800 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.209 -4.697 6.129 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.633 -4.705 4.446 1.00 0.00 H new ATOM 87 N TRP A 7 7.416 -2.636 3.263 1.00 0.00 N ATOM 88 CA TRP A 7 7.932 -2.320 1.891 1.00 0.00 C ATOM 89 C TRP A 7 7.039 -2.900 0.790 1.00 0.00 C ATOM 90 O TRP A 7 6.618 -4.039 0.837 1.00 0.00 O ATOM 91 CB TRP A 7 9.348 -2.893 1.759 1.00 0.00 C ATOM 92 CG TRP A 7 9.792 -2.852 0.330 1.00 0.00 C ATOM 93 CD1 TRP A 7 10.410 -1.809 -0.273 1.00 0.00 C ATOM 94 CD2 TRP A 7 9.670 -3.892 -0.677 1.00 0.00 C ATOM 95 NE1 TRP A 7 10.666 -2.145 -1.592 1.00 0.00 N ATOM 96 CE2 TRP A 7 10.228 -3.420 -1.888 1.00 0.00 C ATOM 97 CE3 TRP A 7 9.128 -5.186 -0.656 1.00 0.00 C ATOM 98 CZ2 TRP A 7 10.248 -4.209 -3.038 1.00 0.00 C ATOM 99 CZ3 TRP A 7 9.147 -5.985 -1.810 1.00 0.00 C ATOM 100 CH2 TRP A 7 9.706 -5.498 -2.998 1.00 0.00 C ATOM 0 H TRP A 7 8.143 -2.863 3.942 1.00 0.00 H new ATOM 0 HA TRP A 7 7.936 -1.237 1.767 1.00 0.00 H new ATOM 0 HB2 TRP A 7 10.039 -2.321 2.378 1.00 0.00 H new ATOM 0 HB3 TRP A 7 9.368 -3.920 2.124 1.00 0.00 H new ATOM 0 HD1 TRP A 7 10.662 -0.870 0.197 1.00 0.00 H new ATOM 0 HE1 TRP A 7 11.122 -1.526 -2.262 1.00 0.00 H new ATOM 0 HE3 TRP A 7 8.693 -5.570 0.255 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 10.679 -3.828 -3.952 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 8.728 -6.980 -1.781 1.00 0.00 H new ATOM 0 HH2 TRP A 7 9.719 -6.117 -3.883 1.00 0.00 H new ATOM 111 N CYS A 8 6.770 -2.100 -0.213 1.00 0.00 N ATOM 112 CA CYS A 8 5.927 -2.555 -1.363 1.00 0.00 C ATOM 113 C CYS A 8 6.625 -2.181 -2.675 1.00 0.00 C ATOM 114 O CYS A 8 7.438 -1.280 -2.712 1.00 0.00 O ATOM 115 CB CYS A 8 4.569 -1.855 -1.305 1.00 0.00 C ATOM 116 SG CYS A 8 4.781 -0.060 -1.229 1.00 0.00 S ATOM 0 H CYS A 8 7.103 -1.139 -0.284 1.00 0.00 H new ATOM 0 HA CYS A 8 5.787 -3.635 -1.309 1.00 0.00 H new ATOM 0 HB2 CYS A 8 3.979 -2.120 -2.183 1.00 0.00 H new ATOM 0 HB3 CYS A 8 4.014 -2.198 -0.432 1.00 0.00 H new ATOM 121 N LYS A 9 6.310 -2.841 -3.758 1.00 0.00 N ATOM 122 CA LYS A 9 6.954 -2.477 -5.056 1.00 0.00 C ATOM 123 C LYS A 9 6.038 -1.514 -5.810 1.00 0.00 C ATOM 124 O LYS A 9 6.472 -0.533 -6.379 1.00 0.00 O ATOM 125 CB LYS A 9 7.198 -3.738 -5.909 1.00 0.00 C ATOM 126 CG LYS A 9 8.706 -3.890 -6.204 1.00 0.00 C ATOM 127 CD LYS A 9 8.926 -4.241 -7.683 1.00 0.00 C ATOM 128 CE LYS A 9 10.331 -3.804 -8.101 1.00 0.00 C ATOM 129 NZ LYS A 9 10.480 -3.948 -9.575 1.00 0.00 N ATOM 0 H LYS A 9 5.641 -3.610 -3.802 1.00 0.00 H new ATOM 0 HA LYS A 9 7.915 -2.002 -4.860 1.00 0.00 H new ATOM 0 HB2 LYS A 9 6.831 -4.620 -5.384 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.641 -3.669 -6.843 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.226 -2.963 -5.962 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.131 -4.669 -5.571 1.00 0.00 H new ATOM 0 HD2 LYS A 9 8.805 -5.313 -7.836 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.179 -3.744 -8.302 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.503 -2.769 -7.807 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.079 -4.409 -7.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 11.436 -3.651 -9.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 10.333 -4.942 -9.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.776 -3.352 -10.055 1.00 0.00 H new ATOM 143 N GLU A 10 4.765 -1.789 -5.805 1.00 0.00 N ATOM 144 CA GLU A 10 3.796 -0.903 -6.500 1.00 0.00 C ATOM 145 C GLU A 10 2.408 -1.126 -5.903 1.00 0.00 C ATOM 146 O GLU A 10 2.250 -1.778 -4.893 1.00 0.00 O ATOM 147 CB GLU A 10 3.762 -1.216 -8.001 1.00 0.00 C ATOM 148 CG GLU A 10 3.809 -2.729 -8.214 1.00 0.00 C ATOM 149 CD GLU A 10 3.222 -3.082 -9.582 1.00 0.00 C ATOM 150 OE1 GLU A 10 3.571 -2.422 -10.546 1.00 0.00 O ATOM 151 OE2 GLU A 10 2.428 -4.008 -9.640 1.00 0.00 O ATOM 0 H GLU A 10 4.351 -2.599 -5.344 1.00 0.00 H new ATOM 0 HA GLU A 10 4.102 0.135 -6.368 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.857 -0.804 -8.448 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.607 -0.743 -8.500 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.838 -3.082 -8.148 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.248 -3.233 -7.427 1.00 0.00 H new ATOM 158 N LYS A 11 1.409 -0.578 -6.521 1.00 0.00 N ATOM 159 CA LYS A 11 0.020 -0.731 -6.007 1.00 0.00 C ATOM 160 C LYS A 11 -0.416 -2.203 -5.986 1.00 0.00 C ATOM 161 O LYS A 11 -1.051 -2.651 -5.053 1.00 0.00 O ATOM 162 CB LYS A 11 -0.920 0.069 -6.915 1.00 0.00 C ATOM 163 CG LYS A 11 -2.388 -0.160 -6.514 1.00 0.00 C ATOM 164 CD LYS A 11 -3.036 1.167 -6.114 1.00 0.00 C ATOM 165 CE LYS A 11 -4.545 0.972 -5.967 1.00 0.00 C ATOM 166 NZ LYS A 11 -5.209 2.303 -5.890 1.00 0.00 N ATOM 0 H LYS A 11 1.492 -0.022 -7.372 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.019 -0.361 -4.983 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.681 1.130 -6.849 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.771 -0.228 -7.953 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.935 -0.605 -7.345 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.441 -0.864 -5.684 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.611 1.523 -5.176 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.828 1.927 -6.867 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.934 0.407 -6.814 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.763 0.392 -5.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.236 2.173 -5.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.844 2.826 -5.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.011 2.841 -6.758 1.00 0.00 H new ATOM 180 N LYS A 12 -0.128 -2.950 -7.014 1.00 0.00 N ATOM 181 CA LYS A 12 -0.584 -4.374 -7.048 1.00 0.00 C ATOM 182 C LYS A 12 0.402 -5.313 -6.339 1.00 0.00 C ATOM 183 O LYS A 12 0.051 -6.417 -5.974 1.00 0.00 O ATOM 184 CB LYS A 12 -0.765 -4.813 -8.505 1.00 0.00 C ATOM 185 CG LYS A 12 -1.820 -5.922 -8.576 1.00 0.00 C ATOM 186 CD LYS A 12 -2.131 -6.245 -10.038 1.00 0.00 C ATOM 187 CE LYS A 12 -3.176 -7.363 -10.105 1.00 0.00 C ATOM 188 NZ LYS A 12 -4.249 -7.110 -9.098 1.00 0.00 N ATOM 0 H LYS A 12 0.400 -2.642 -7.830 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.533 -4.436 -6.515 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.072 -3.964 -9.116 1.00 0.00 H new ATOM 0 HB3 LYS A 12 0.182 -5.171 -8.909 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -1.458 -6.814 -8.065 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -2.728 -5.607 -8.062 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -2.502 -5.355 -10.547 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -1.222 -6.552 -10.555 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.607 -7.412 -11.105 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -2.704 -8.327 -9.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.102 -7.646 -9.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.922 -7.413 -8.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.472 -6.094 -9.076 1.00 0.00 H new ATOM 202 N ASP A 13 1.627 -4.911 -6.147 1.00 0.00 N ATOM 203 CA ASP A 13 2.597 -5.807 -5.481 1.00 0.00 C ATOM 204 C ASP A 13 2.300 -5.912 -3.983 1.00 0.00 C ATOM 205 O ASP A 13 2.984 -6.609 -3.273 1.00 0.00 O ATOM 206 CB ASP A 13 4.005 -5.269 -5.701 1.00 0.00 C ATOM 207 CG ASP A 13 4.593 -5.861 -6.983 1.00 0.00 C ATOM 208 OD1 ASP A 13 5.209 -6.912 -6.897 1.00 0.00 O ATOM 209 OD2 ASP A 13 4.401 -5.270 -8.030 1.00 0.00 O ATOM 0 H ASP A 13 1.993 -4.000 -6.424 1.00 0.00 H new ATOM 0 HA ASP A 13 2.514 -6.805 -5.911 1.00 0.00 H new ATOM 0 HB2 ASP A 13 3.982 -4.181 -5.769 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.637 -5.521 -4.850 1.00 0.00 H new ATOM 214 N CYS A 14 1.297 -5.237 -3.483 1.00 0.00 N ATOM 215 CA CYS A 14 0.999 -5.336 -2.037 1.00 0.00 C ATOM 216 C CYS A 14 0.010 -6.473 -1.805 1.00 0.00 C ATOM 217 O CYS A 14 -0.865 -6.726 -2.609 1.00 0.00 O ATOM 218 CB CYS A 14 0.391 -4.024 -1.565 1.00 0.00 C ATOM 219 SG CYS A 14 1.712 -2.827 -1.287 1.00 0.00 S ATOM 0 H CYS A 14 0.678 -4.626 -4.017 1.00 0.00 H new ATOM 0 HA CYS A 14 1.915 -5.535 -1.480 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.309 -3.645 -2.309 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -0.174 -4.181 -0.646 1.00 0.00 H new ATOM 224 N CYS A 15 0.151 -7.170 -0.715 1.00 0.00 N ATOM 225 CA CYS A 15 -0.772 -8.297 -0.440 1.00 0.00 C ATOM 226 C CYS A 15 -2.208 -7.800 -0.488 1.00 0.00 C ATOM 227 O CYS A 15 -2.582 -6.860 0.186 1.00 0.00 O ATOM 228 CB CYS A 15 -0.445 -8.897 0.932 1.00 0.00 C ATOM 229 SG CYS A 15 0.134 -10.603 0.719 1.00 0.00 S ATOM 0 H CYS A 15 0.865 -7.007 -0.005 1.00 0.00 H new ATOM 0 HA CYS A 15 -0.651 -9.073 -1.196 1.00 0.00 H new ATOM 0 HB2 CYS A 15 0.320 -8.301 1.429 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -1.329 -8.878 1.570 1.00 0.00 H new ATOM 234 N CYS A 16 -3.006 -8.432 -1.303 1.00 0.00 N ATOM 235 CA CYS A 16 -4.438 -8.031 -1.443 1.00 0.00 C ATOM 236 C CYS A 16 -4.934 -7.397 -0.139 1.00 0.00 C ATOM 237 O CYS A 16 -4.757 -7.940 0.933 1.00 0.00 O ATOM 238 CB CYS A 16 -5.273 -9.276 -1.768 1.00 0.00 C ATOM 239 SG CYS A 16 -6.927 -9.127 -1.038 1.00 0.00 S ATOM 0 H CYS A 16 -2.725 -9.220 -1.886 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.537 -7.301 -2.246 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -5.354 -9.397 -2.848 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -4.776 -10.167 -1.383 1.00 0.00 H new ATOM 0 HG CYS A 16 -7.624 -10.187 -1.323 1.00 0.00 H new ATOM 244 N GLY A 17 -5.555 -6.249 -0.225 1.00 0.00 N ATOM 245 CA GLY A 17 -6.069 -5.578 1.006 1.00 0.00 C ATOM 246 C GLY A 17 -5.149 -4.428 1.408 1.00 0.00 C ATOM 247 O GLY A 17 -5.505 -3.605 2.228 1.00 0.00 O ATOM 0 H GLY A 17 -5.728 -5.747 -1.096 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -7.076 -5.201 0.829 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.137 -6.300 1.820 1.00 0.00 H new ATOM 251 N TYR A 18 -3.970 -4.356 0.847 1.00 0.00 N ATOM 252 CA TYR A 18 -3.043 -3.246 1.219 1.00 0.00 C ATOM 253 C TYR A 18 -2.577 -2.489 -0.029 1.00 0.00 C ATOM 254 O TYR A 18 -2.417 -3.050 -1.095 1.00 0.00 O ATOM 255 CB TYR A 18 -1.832 -3.814 1.952 1.00 0.00 C ATOM 256 CG TYR A 18 -2.282 -4.548 3.192 1.00 0.00 C ATOM 257 CD1 TYR A 18 -2.999 -3.870 4.182 1.00 0.00 C ATOM 258 CD2 TYR A 18 -1.957 -5.899 3.365 1.00 0.00 C ATOM 259 CE1 TYR A 18 -3.390 -4.536 5.344 1.00 0.00 C ATOM 260 CE2 TYR A 18 -2.354 -6.570 4.527 1.00 0.00 C ATOM 261 CZ TYR A 18 -3.071 -5.888 5.518 1.00 0.00 C ATOM 262 OH TYR A 18 -3.456 -6.547 6.667 1.00 0.00 O ATOM 0 H TYR A 18 -3.611 -5.012 0.153 1.00 0.00 H new ATOM 0 HA TYR A 18 -3.576 -2.552 1.870 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -1.283 -4.491 1.297 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.149 -3.009 2.223 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -3.251 -2.828 4.047 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -1.400 -6.423 2.602 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -3.939 -4.008 6.110 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.108 -7.613 4.660 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.156 -7.479 6.626 1.00 0.00 H new ATOM 272 N ASN A 19 -2.360 -1.209 0.114 1.00 0.00 N ATOM 273 CA ASN A 19 -1.904 -0.368 -1.034 1.00 0.00 C ATOM 274 C ASN A 19 -0.385 -0.201 -0.964 1.00 0.00 C ATOM 275 O ASN A 19 0.280 -0.890 -0.229 1.00 0.00 O ATOM 276 CB ASN A 19 -2.578 1.009 -0.934 1.00 0.00 C ATOM 277 CG ASN A 19 -2.961 1.507 -2.329 1.00 0.00 C ATOM 278 OD1 ASN A 19 -3.690 0.846 -3.040 1.00 0.00 O ATOM 279 ND2 ASN A 19 -2.499 2.650 -2.751 1.00 0.00 N ATOM 0 H ASN A 19 -2.481 -0.702 0.991 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.171 -0.843 -1.978 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -3.466 0.943 -0.306 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.903 1.720 -0.458 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -2.750 2.990 -3.679 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -1.887 3.205 -2.153 1.00 0.00 H new ATOM 286 N CYS A 20 0.163 0.711 -1.725 1.00 0.00 N ATOM 287 CA CYS A 20 1.645 0.934 -1.708 1.00 0.00 C ATOM 288 C CYS A 20 1.924 2.439 -1.734 1.00 0.00 C ATOM 289 O CYS A 20 1.371 3.167 -2.535 1.00 0.00 O ATOM 290 CB CYS A 20 2.276 0.268 -2.932 1.00 0.00 C ATOM 291 SG CYS A 20 4.053 0.617 -2.991 1.00 0.00 S ATOM 0 H CYS A 20 -0.354 1.316 -2.363 1.00 0.00 H new ATOM 0 HA CYS A 20 2.074 0.499 -0.805 1.00 0.00 H new ATOM 0 HB2 CYS A 20 2.111 -0.809 -2.894 1.00 0.00 H new ATOM 0 HB3 CYS A 20 1.796 0.632 -3.841 1.00 0.00 H new ATOM 296 N VAL A 21 2.763 2.913 -0.849 1.00 0.00 N ATOM 297 CA VAL A 21 3.061 4.376 -0.808 1.00 0.00 C ATOM 298 C VAL A 21 4.555 4.603 -0.559 1.00 0.00 C ATOM 299 O VAL A 21 5.235 3.768 0.030 1.00 0.00 O ATOM 300 CB VAL A 21 2.246 5.002 0.324 1.00 0.00 C ATOM 301 CG1 VAL A 21 2.220 6.522 0.164 1.00 0.00 C ATOM 302 CG2 VAL A 21 0.819 4.456 0.268 1.00 0.00 C ATOM 0 H VAL A 21 3.254 2.351 -0.154 1.00 0.00 H new ATOM 0 HA VAL A 21 2.797 4.835 -1.761 1.00 0.00 H new ATOM 0 HB VAL A 21 2.700 4.754 1.283 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.638 6.963 0.973 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.239 6.909 0.197 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.765 6.779 -0.792 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.229 4.897 1.072 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.370 4.709 -0.692 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.839 3.372 0.385 1.00 0.00 H new ATOM 312 N TYR A 22 5.069 5.731 -0.979 1.00 0.00 N ATOM 313 CA TYR A 22 6.520 6.026 -0.777 1.00 0.00 C ATOM 314 C TYR A 22 6.771 6.398 0.692 1.00 0.00 C ATOM 315 O TYR A 22 6.130 7.276 1.236 1.00 0.00 O ATOM 316 CB TYR A 22 6.912 7.193 -1.684 1.00 0.00 C ATOM 317 CG TYR A 22 8.416 7.276 -1.801 1.00 0.00 C ATOM 318 CD1 TYR A 22 9.118 6.287 -2.503 1.00 0.00 C ATOM 319 CD2 TYR A 22 9.107 8.346 -1.223 1.00 0.00 C ATOM 320 CE1 TYR A 22 10.510 6.370 -2.625 1.00 0.00 C ATOM 321 CE2 TYR A 22 10.499 8.428 -1.343 1.00 0.00 C ATOM 322 CZ TYR A 22 11.200 7.440 -2.043 1.00 0.00 C ATOM 323 OH TYR A 22 12.573 7.521 -2.164 1.00 0.00 O ATOM 0 H TYR A 22 4.543 6.464 -1.455 1.00 0.00 H new ATOM 0 HA TYR A 22 7.118 5.149 -1.025 1.00 0.00 H new ATOM 0 HB2 TYR A 22 6.469 7.061 -2.671 1.00 0.00 H new ATOM 0 HB3 TYR A 22 6.519 8.126 -1.280 1.00 0.00 H new ATOM 0 HD1 TYR A 22 8.585 5.461 -2.950 1.00 0.00 H new ATOM 0 HD2 TYR A 22 8.566 9.109 -0.684 1.00 0.00 H new ATOM 0 HE1 TYR A 22 11.051 5.609 -3.168 1.00 0.00 H new ATOM 0 HE2 TYR A 22 11.032 9.254 -0.895 1.00 0.00 H new ATOM 0 HH TYR A 22 12.822 8.416 -2.476 1.00 0.00 H new ATOM 333 N ALA A 23 7.696 5.729 1.339 1.00 0.00 N ATOM 334 CA ALA A 23 7.986 6.032 2.779 1.00 0.00 C ATOM 335 C ALA A 23 9.303 6.812 2.912 1.00 0.00 C ATOM 336 O ALA A 23 10.376 6.280 2.710 1.00 0.00 O ATOM 337 CB ALA A 23 8.096 4.717 3.554 1.00 0.00 C ATOM 0 H ALA A 23 8.264 4.985 0.932 1.00 0.00 H new ATOM 0 HA ALA A 23 7.177 6.641 3.183 1.00 0.00 H new ATOM 0 HB1 ALA A 23 8.307 4.929 4.602 1.00 0.00 H new ATOM 0 HB2 ALA A 23 7.157 4.169 3.476 1.00 0.00 H new ATOM 0 HB3 ALA A 23 8.903 4.115 3.136 1.00 0.00 H new ATOM 343 N TRP A 24 9.224 8.066 3.264 1.00 0.00 N ATOM 344 CA TRP A 24 10.458 8.897 3.429 1.00 0.00 C ATOM 345 C TRP A 24 11.412 8.277 4.458 1.00 0.00 C ATOM 346 O TRP A 24 12.518 8.746 4.641 1.00 0.00 O ATOM 347 CB TRP A 24 10.068 10.302 3.902 1.00 0.00 C ATOM 348 CG TRP A 24 9.299 10.216 5.188 1.00 0.00 C ATOM 349 CD1 TRP A 24 9.761 9.692 6.352 1.00 0.00 C ATOM 350 CD2 TRP A 24 7.940 10.669 5.458 1.00 0.00 C ATOM 351 NE1 TRP A 24 8.769 9.793 7.311 1.00 0.00 N ATOM 352 CE2 TRP A 24 7.630 10.387 6.809 1.00 0.00 C ATOM 353 CE3 TRP A 24 6.959 11.289 4.667 1.00 0.00 C ATOM 354 CZ2 TRP A 24 6.387 10.709 7.356 1.00 0.00 C ATOM 355 CZ3 TRP A 24 5.707 11.616 5.214 1.00 0.00 C ATOM 356 CH2 TRP A 24 5.422 11.325 6.556 1.00 0.00 C ATOM 0 H TRP A 24 8.350 8.558 3.447 1.00 0.00 H new ATOM 0 HA TRP A 24 10.965 8.944 2.465 1.00 0.00 H new ATOM 0 HB2 TRP A 24 10.963 10.908 4.044 1.00 0.00 H new ATOM 0 HB3 TRP A 24 9.465 10.797 3.141 1.00 0.00 H new ATOM 0 HD1 TRP A 24 10.742 9.266 6.504 1.00 0.00 H new ATOM 0 HE1 TRP A 24 8.868 9.468 8.273 1.00 0.00 H new ATOM 0 HE3 TRP A 24 7.168 11.516 3.632 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 6.173 10.483 8.390 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 4.960 12.094 4.598 1.00 0.00 H new ATOM 0 HH2 TRP A 24 4.457 11.577 6.971 1.00 0.00 H new ATOM 367 N TYR A 25 10.986 7.271 5.175 1.00 0.00 N ATOM 368 CA TYR A 25 11.876 6.691 6.227 1.00 0.00 C ATOM 369 C TYR A 25 13.176 6.173 5.596 1.00 0.00 C ATOM 370 O TYR A 25 14.257 6.483 6.059 1.00 0.00 O ATOM 371 CB TYR A 25 11.134 5.562 6.952 1.00 0.00 C ATOM 372 CG TYR A 25 11.789 5.298 8.292 1.00 0.00 C ATOM 373 CD1 TYR A 25 11.771 6.294 9.278 1.00 0.00 C ATOM 374 CD2 TYR A 25 12.409 4.070 8.552 1.00 0.00 C ATOM 375 CE1 TYR A 25 12.370 6.062 10.522 1.00 0.00 C ATOM 376 CE2 TYR A 25 13.008 3.839 9.797 1.00 0.00 C ATOM 377 CZ TYR A 25 12.989 4.835 10.780 1.00 0.00 C ATOM 378 OH TYR A 25 13.579 4.605 12.007 1.00 0.00 O ATOM 0 H TYR A 25 10.072 6.829 5.081 1.00 0.00 H new ATOM 0 HA TYR A 25 12.138 7.464 6.950 1.00 0.00 H new ATOM 0 HB2 TYR A 25 10.088 5.834 7.095 1.00 0.00 H new ATOM 0 HB3 TYR A 25 11.148 4.657 6.345 1.00 0.00 H new ATOM 0 HD1 TYR A 25 11.294 7.242 9.078 1.00 0.00 H new ATOM 0 HD2 TYR A 25 12.425 3.301 7.793 1.00 0.00 H new ATOM 0 HE1 TYR A 25 12.354 6.830 11.281 1.00 0.00 H new ATOM 0 HE2 TYR A 25 13.485 2.891 9.999 1.00 0.00 H new ATOM 0 HH TYR A 25 13.962 3.703 12.022 1.00 0.00 H new ATOM 388 N ASN A 26 13.101 5.420 4.530 1.00 0.00 N ATOM 389 CA ASN A 26 14.358 4.934 3.875 1.00 0.00 C ATOM 390 C ASN A 26 14.136 4.847 2.366 1.00 0.00 C ATOM 391 O ASN A 26 14.394 3.835 1.745 1.00 0.00 O ATOM 392 CB ASN A 26 14.771 3.560 4.424 1.00 0.00 C ATOM 393 CG ASN A 26 13.536 2.712 4.713 1.00 0.00 C ATOM 394 OD1 ASN A 26 13.394 1.625 4.190 1.00 0.00 O ATOM 395 ND2 ASN A 26 12.637 3.158 5.538 1.00 0.00 N ATOM 0 H ASN A 26 12.233 5.121 4.085 1.00 0.00 H new ATOM 0 HA ASN A 26 15.161 5.638 4.092 1.00 0.00 H new ATOM 0 HB2 ASN A 26 15.410 3.050 3.703 1.00 0.00 H new ATOM 0 HB3 ASN A 26 15.356 3.686 5.335 1.00 0.00 H new ATOM 0 HD21 ASN A 26 11.812 2.595 5.746 1.00 0.00 H new ATOM 0 HD22 ASN A 26 12.756 4.071 5.977 1.00 0.00 H new ATOM 402 N GLN A 27 13.661 5.911 1.773 1.00 0.00 N ATOM 403 CA GLN A 27 13.418 5.910 0.301 1.00 0.00 C ATOM 404 C GLN A 27 12.811 4.571 -0.110 1.00 0.00 C ATOM 405 O GLN A 27 13.036 4.081 -1.199 1.00 0.00 O ATOM 406 CB GLN A 27 14.744 6.124 -0.431 1.00 0.00 C ATOM 407 CG GLN A 27 15.563 7.185 0.309 1.00 0.00 C ATOM 408 CD GLN A 27 14.699 8.425 0.545 1.00 0.00 C ATOM 409 OE1 GLN A 27 14.195 8.634 1.730 1.00 0.00 O flip ATOM 410 NE2 GLN A 27 14.474 9.205 -0.358 1.00 0.00 N flip ATOM 0 H GLN A 27 13.430 6.784 2.247 1.00 0.00 H new ATOM 0 HA GLN A 27 12.729 6.713 0.041 1.00 0.00 H new ATOM 0 HB2 GLN A 27 15.300 5.188 -0.481 1.00 0.00 H new ATOM 0 HB3 GLN A 27 14.559 6.441 -1.457 1.00 0.00 H new ATOM 0 HG2 GLN A 27 15.916 6.788 1.261 1.00 0.00 H new ATOM 0 HG3 GLN A 27 16.446 7.449 -0.273 1.00 0.00 H new ATOM 0 HE21 GLN A 27 14.869 9.041 -1.284 1.00 0.00 H new ATOM 0 HE22 GLN A 27 13.890 10.025 -0.190 1.00 0.00 H new ATOM 419 N GLN A 28 12.046 3.979 0.762 1.00 0.00 N ATOM 420 CA GLN A 28 11.412 2.668 0.454 1.00 0.00 C ATOM 421 C GLN A 28 9.892 2.828 0.512 1.00 0.00 C ATOM 422 O GLN A 28 9.373 3.638 1.251 1.00 0.00 O ATOM 423 CB GLN A 28 11.894 1.632 1.490 1.00 0.00 C ATOM 424 CG GLN A 28 10.715 1.074 2.297 1.00 0.00 C ATOM 425 CD GLN A 28 11.212 -0.036 3.224 1.00 0.00 C ATOM 426 OE1 GLN A 28 12.125 -0.763 2.886 1.00 0.00 O ATOM 427 NE2 GLN A 28 10.640 -0.201 4.384 1.00 0.00 N ATOM 0 H GLN A 28 11.830 4.352 1.686 1.00 0.00 H new ATOM 0 HA GLN A 28 11.690 2.327 -0.543 1.00 0.00 H new ATOM 0 HB2 GLN A 28 12.410 0.817 0.982 1.00 0.00 H new ATOM 0 HB3 GLN A 28 12.615 2.095 2.164 1.00 0.00 H new ATOM 0 HG2 GLN A 28 10.251 1.869 2.880 1.00 0.00 H new ATOM 0 HG3 GLN A 28 9.951 0.685 1.624 1.00 0.00 H new ATOM 0 HE21 GLN A 28 9.874 0.410 4.666 1.00 0.00 H new ATOM 0 HE22 GLN A 28 10.959 -0.941 5.009 1.00 0.00 H new ATOM 436 N SER A 29 9.177 2.063 -0.262 1.00 0.00 N ATOM 437 CA SER A 29 7.691 2.172 -0.252 1.00 0.00 C ATOM 438 C SER A 29 7.126 1.232 0.812 1.00 0.00 C ATOM 439 O SER A 29 7.785 0.310 1.224 1.00 0.00 O ATOM 440 CB SER A 29 7.150 1.770 -1.617 1.00 0.00 C ATOM 441 OG SER A 29 7.889 2.435 -2.634 1.00 0.00 O ATOM 0 H SER A 29 9.557 1.366 -0.902 1.00 0.00 H new ATOM 0 HA SER A 29 7.398 3.198 -0.029 1.00 0.00 H new ATOM 0 HB2 SER A 29 7.224 0.690 -1.746 1.00 0.00 H new ATOM 0 HB3 SER A 29 6.094 2.028 -1.692 1.00 0.00 H new ATOM 0 HG SER A 29 7.542 2.175 -3.513 1.00 0.00 H new ATOM 447 N SER A 30 5.911 1.447 1.260 1.00 0.00 N ATOM 448 CA SER A 30 5.334 0.550 2.295 1.00 0.00 C ATOM 449 C SER A 30 3.858 0.252 1.992 1.00 0.00 C ATOM 450 O SER A 30 3.090 1.137 1.671 1.00 0.00 O ATOM 451 CB SER A 30 5.446 1.218 3.668 1.00 0.00 C ATOM 452 OG SER A 30 5.198 0.252 4.682 1.00 0.00 O ATOM 0 H SER A 30 5.301 2.204 0.951 1.00 0.00 H new ATOM 0 HA SER A 30 5.888 -0.389 2.292 1.00 0.00 H new ATOM 0 HB2 SER A 30 6.439 1.649 3.795 1.00 0.00 H new ATOM 0 HB3 SER A 30 4.730 2.036 3.747 1.00 0.00 H new ATOM 0 HG SER A 30 5.271 0.676 5.563 1.00 0.00 H new ATOM 458 N CYS A 31 3.454 -0.994 2.097 1.00 0.00 N ATOM 459 CA CYS A 31 2.025 -1.342 1.824 1.00 0.00 C ATOM 460 C CYS A 31 1.136 -0.789 2.944 1.00 0.00 C ATOM 461 O CYS A 31 1.433 -0.945 4.110 1.00 0.00 O ATOM 462 CB CYS A 31 1.844 -2.867 1.752 1.00 0.00 C ATOM 463 SG CYS A 31 2.721 -3.540 0.318 1.00 0.00 S ATOM 0 H CYS A 31 4.050 -1.779 2.359 1.00 0.00 H new ATOM 0 HA CYS A 31 1.741 -0.902 0.868 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.220 -3.328 2.665 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.784 -3.111 1.685 1.00 0.00 H new ATOM 468 N GLU A 32 0.038 -0.157 2.610 1.00 0.00 N ATOM 469 CA GLU A 32 -0.858 0.378 3.680 1.00 0.00 C ATOM 470 C GLU A 32 -2.316 0.390 3.199 1.00 0.00 C ATOM 471 O GLU A 32 -2.606 0.633 2.047 1.00 0.00 O ATOM 472 CB GLU A 32 -0.391 1.785 4.087 1.00 0.00 C ATOM 473 CG GLU A 32 -1.062 2.842 3.220 1.00 0.00 C ATOM 474 CD GLU A 32 -0.815 4.226 3.823 1.00 0.00 C ATOM 475 OE1 GLU A 32 -0.725 4.315 5.037 1.00 0.00 O ATOM 476 OE2 GLU A 32 -0.721 5.176 3.063 1.00 0.00 O ATOM 0 H GLU A 32 -0.274 0.010 1.653 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.805 -0.269 4.555 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.627 1.963 5.136 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.692 1.858 3.987 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.667 2.800 2.205 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.133 2.648 3.154 1.00 0.00 H new ATOM 483 N ARG A 33 -3.231 0.127 4.091 1.00 0.00 N ATOM 484 CA ARG A 33 -4.680 0.107 3.729 1.00 0.00 C ATOM 485 C ARG A 33 -5.097 1.450 3.109 1.00 0.00 C ATOM 486 O ARG A 33 -4.417 2.447 3.248 1.00 0.00 O ATOM 487 CB ARG A 33 -5.493 -0.154 5.004 1.00 0.00 C ATOM 488 CG ARG A 33 -5.674 1.148 5.809 1.00 0.00 C ATOM 489 CD ARG A 33 -4.314 1.799 6.119 1.00 0.00 C ATOM 490 NE ARG A 33 -3.496 0.917 6.998 1.00 0.00 N ATOM 491 CZ ARG A 33 -2.338 1.339 7.439 1.00 0.00 C ATOM 492 NH1 ARG A 33 -1.937 2.549 7.159 1.00 0.00 N ATOM 493 NH2 ARG A 33 -1.586 0.559 8.167 1.00 0.00 N ATOM 0 H ARG A 33 -3.034 -0.078 5.071 1.00 0.00 H new ATOM 0 HA ARG A 33 -4.865 -0.678 2.996 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.468 -0.564 4.742 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -4.988 -0.900 5.618 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.295 1.845 5.246 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -6.199 0.934 6.740 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -3.778 1.993 5.190 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -4.469 2.762 6.605 1.00 0.00 H new ATOM 0 HE ARG A 33 -3.836 -0.010 7.255 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -2.526 3.164 6.597 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -1.035 2.879 7.502 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -1.900 -0.384 8.395 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -0.685 0.893 8.508 1.00 0.00 H new ATOM 507 N LYS A 34 -6.219 1.493 2.439 1.00 0.00 N ATOM 508 CA LYS A 34 -6.664 2.772 1.841 1.00 0.00 C ATOM 509 C LYS A 34 -8.183 2.759 1.605 1.00 0.00 C ATOM 510 O LYS A 34 -8.652 2.972 0.506 1.00 0.00 O ATOM 511 CB LYS A 34 -5.924 3.013 0.516 1.00 0.00 C ATOM 512 CG LYS A 34 -4.911 4.153 0.689 1.00 0.00 C ATOM 513 CD LYS A 34 -4.316 4.535 -0.673 1.00 0.00 C ATOM 514 CE LYS A 34 -5.252 5.519 -1.391 1.00 0.00 C ATOM 515 NZ LYS A 34 -5.122 5.350 -2.868 1.00 0.00 N ATOM 0 H LYS A 34 -6.839 0.698 2.284 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.431 3.581 2.533 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.412 2.103 0.204 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.637 3.263 -0.270 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.398 5.019 1.138 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.117 3.845 1.369 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.333 4.987 -0.537 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.175 3.642 -1.282 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.283 5.344 -1.085 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.005 6.543 -1.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.757 6.017 -3.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.140 5.538 -3.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.379 4.377 -3.130 1.00 0.00 H new