USER MOD reduce.3.24.130724 H: found=0, std=0, add=253, rem=0, adj=13 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 Single : A 1 CYS N :NH3+ -156:sc= 0.0925 (180deg=0.0255) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 160:sc= -0.133 (180deg=-0.707) USER MOD Single : A 12 LYS NZ :NH3+ 155:sc= -1.89! (180deg=-3!) USER MOD Single : A 16 CYS SG : rot 70:sc= 0.271 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -3.18! C(o=-3.2!,f=-13!) USER MOD Single : A 22 TYR OH : rot 165:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -3.56! C(o=-3.6!,f=-5.1!) USER MOD Single : A 27 GLN :FLIP amide:sc= -0.294 F(o=-0.95,f=-0.29) USER MOD Single : A 28 GLN :FLIP amide:sc= -3.07 F(o=-12!,f=-3.1) USER MOD Single : A 29 SER OG : rot 180:sc= -0.185 USER MOD Single : A 30 SER OG : rot 101:sc= 0.534 USER MOD Single : A 34 LYS NZ :NH3+ 171:sc= 1.21 (180deg=1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 4.395 -10.139 -1.101 1.00 0.00 N ATOM 2 CA CYS A 1 3.426 -9.010 -1.026 1.00 0.00 C ATOM 3 C CYS A 1 3.604 -8.265 0.300 1.00 0.00 C ATOM 4 O CYS A 1 3.498 -8.851 1.358 1.00 0.00 O ATOM 5 CB CYS A 1 1.993 -9.555 -1.086 1.00 0.00 C ATOM 6 SG CYS A 1 1.645 -10.472 0.441 1.00 0.00 S ATOM 0 H1 CYS A 1 4.570 -10.381 -2.097 1.00 0.00 H new ATOM 0 H2 CYS A 1 5.290 -9.859 -0.651 1.00 0.00 H new ATOM 0 H3 CYS A 1 4.003 -10.966 -0.607 1.00 0.00 H new ATOM 0 HA CYS A 1 3.606 -8.335 -1.863 1.00 0.00 H new ATOM 0 HB2 CYS A 1 1.283 -8.736 -1.203 1.00 0.00 H new ATOM 0 HB3 CYS A 1 1.874 -10.206 -1.952 1.00 0.00 H new ATOM 13 N GLY A 2 3.860 -6.981 0.273 1.00 0.00 N ATOM 14 CA GLY A 2 4.012 -6.257 1.562 1.00 0.00 C ATOM 15 C GLY A 2 2.625 -6.025 2.168 1.00 0.00 C ATOM 16 O GLY A 2 1.762 -5.424 1.562 1.00 0.00 O ATOM 0 H GLY A 2 3.968 -6.416 -0.569 1.00 0.00 H new ATOM 0 HA2 GLY A 2 4.631 -6.835 2.248 1.00 0.00 H new ATOM 0 HA3 GLY A 2 4.517 -5.305 1.402 1.00 0.00 H new ATOM 20 N SER A 3 2.403 -6.495 3.362 1.00 0.00 N ATOM 21 CA SER A 3 1.074 -6.296 4.013 1.00 0.00 C ATOM 22 C SER A 3 1.187 -5.115 4.973 1.00 0.00 C ATOM 23 O SER A 3 2.261 -4.584 5.167 1.00 0.00 O ATOM 24 CB SER A 3 0.699 -7.557 4.796 1.00 0.00 C ATOM 25 OG SER A 3 0.834 -8.689 3.949 1.00 0.00 O ATOM 0 H SER A 3 3.085 -7.010 3.919 1.00 0.00 H new ATOM 0 HA SER A 3 0.308 -6.101 3.263 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.343 -7.662 5.669 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.325 -7.481 5.162 1.00 0.00 H new ATOM 0 HG SER A 3 0.597 -9.500 4.446 1.00 0.00 H new ATOM 31 N LYS A 4 0.104 -4.700 5.587 1.00 0.00 N ATOM 32 CA LYS A 4 0.191 -3.554 6.549 1.00 0.00 C ATOM 33 C LYS A 4 1.620 -3.507 7.095 1.00 0.00 C ATOM 34 O LYS A 4 2.142 -4.507 7.545 1.00 0.00 O ATOM 35 CB LYS A 4 -0.833 -3.785 7.685 1.00 0.00 C ATOM 36 CG LYS A 4 -0.262 -3.389 9.069 1.00 0.00 C ATOM 37 CD LYS A 4 -0.623 -4.466 10.109 1.00 0.00 C ATOM 38 CE LYS A 4 0.400 -4.470 11.257 1.00 0.00 C ATOM 39 NZ LYS A 4 0.623 -5.875 11.698 1.00 0.00 N ATOM 0 H LYS A 4 -0.827 -5.100 5.466 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.039 -2.604 6.066 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -1.734 -3.205 7.485 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -1.127 -4.835 7.701 1.00 0.00 H new ATOM 0 HG2 LYS A 4 0.821 -3.278 9.008 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.665 -2.424 9.376 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -1.621 -4.278 10.504 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -0.648 -5.446 9.633 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.339 -4.025 10.927 1.00 0.00 H new ATOM 0 HE3 LYS A 4 0.036 -3.867 12.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.314 -5.889 12.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -0.276 -6.283 12.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 0.987 -6.435 10.901 1.00 0.00 H new ATOM 53 N ARG A 5 2.265 -2.373 7.040 1.00 0.00 N ATOM 54 CA ARG A 5 3.666 -2.299 7.541 1.00 0.00 C ATOM 55 C ARG A 5 4.541 -3.269 6.734 1.00 0.00 C ATOM 56 O ARG A 5 4.811 -4.372 7.165 1.00 0.00 O ATOM 57 CB ARG A 5 3.671 -2.701 9.023 1.00 0.00 C ATOM 58 CG ARG A 5 5.098 -2.772 9.575 1.00 0.00 C ATOM 59 CD ARG A 5 5.100 -3.542 10.901 1.00 0.00 C ATOM 60 NE ARG A 5 4.550 -4.913 10.673 1.00 0.00 N ATOM 61 CZ ARG A 5 4.966 -5.927 11.380 1.00 0.00 C ATOM 62 NH1 ARG A 5 5.888 -5.767 12.283 1.00 0.00 N ATOM 63 NH2 ARG A 5 4.456 -7.110 11.170 1.00 0.00 N ATOM 0 H ARG A 5 1.885 -1.501 6.672 1.00 0.00 H new ATOM 0 HA ARG A 5 4.060 -1.289 7.430 1.00 0.00 H new ATOM 0 HB2 ARG A 5 3.091 -1.980 9.600 1.00 0.00 H new ATOM 0 HB3 ARG A 5 3.184 -3.669 9.141 1.00 0.00 H new ATOM 0 HG2 ARG A 5 5.753 -3.265 8.856 1.00 0.00 H new ATOM 0 HG3 ARG A 5 5.490 -1.766 9.726 1.00 0.00 H new ATOM 0 HD2 ARG A 5 6.113 -3.605 11.297 1.00 0.00 H new ATOM 0 HD3 ARG A 5 4.500 -3.015 11.643 1.00 0.00 H new ATOM 0 HE ARG A 5 3.840 -5.057 9.955 1.00 0.00 H new ATOM 0 HH11 ARG A 5 6.291 -4.844 12.442 1.00 0.00 H new ATOM 0 HH12 ARG A 5 6.208 -6.565 12.832 1.00 0.00 H new ATOM 0 HH21 ARG A 5 3.737 -7.236 10.457 1.00 0.00 H new ATOM 0 HH22 ARG A 5 4.776 -7.908 11.719 1.00 0.00 H new ATOM 77 N ALA A 6 4.992 -2.864 5.568 1.00 0.00 N ATOM 78 CA ALA A 6 5.859 -3.764 4.742 1.00 0.00 C ATOM 79 C ALA A 6 6.185 -3.110 3.394 1.00 0.00 C ATOM 80 O ALA A 6 5.319 -2.661 2.674 1.00 0.00 O ATOM 81 CB ALA A 6 5.152 -5.098 4.477 1.00 0.00 C ATOM 0 H ALA A 6 4.797 -1.952 5.155 1.00 0.00 H new ATOM 0 HA ALA A 6 6.780 -3.939 5.299 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.797 -5.739 3.876 1.00 0.00 H new ATOM 0 HB2 ALA A 6 4.935 -5.589 5.425 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.220 -4.916 3.941 1.00 0.00 H new ATOM 87 N TRP A 7 7.445 -3.074 3.059 1.00 0.00 N ATOM 88 CA TRP A 7 7.894 -2.475 1.769 1.00 0.00 C ATOM 89 C TRP A 7 6.991 -2.939 0.615 1.00 0.00 C ATOM 90 O TRP A 7 6.697 -4.109 0.468 1.00 0.00 O ATOM 91 CB TRP A 7 9.344 -2.924 1.539 1.00 0.00 C ATOM 92 CG TRP A 7 9.649 -3.004 0.080 1.00 0.00 C ATOM 93 CD1 TRP A 7 9.564 -1.977 -0.791 1.00 0.00 C ATOM 94 CD2 TRP A 7 10.102 -4.159 -0.681 1.00 0.00 C ATOM 95 NE1 TRP A 7 9.919 -2.433 -2.051 1.00 0.00 N ATOM 96 CE2 TRP A 7 10.264 -3.774 -2.031 1.00 0.00 C ATOM 97 CE3 TRP A 7 10.380 -5.493 -0.332 1.00 0.00 C ATOM 98 CZ2 TRP A 7 10.690 -4.682 -3.003 1.00 0.00 C ATOM 99 CZ3 TRP A 7 10.811 -6.409 -1.305 1.00 0.00 C ATOM 100 CH2 TRP A 7 10.965 -6.003 -2.637 1.00 0.00 C ATOM 0 H TRP A 7 8.199 -3.443 3.638 1.00 0.00 H new ATOM 0 HA TRP A 7 7.833 -1.387 1.808 1.00 0.00 H new ATOM 0 HB2 TRP A 7 10.027 -2.224 2.020 1.00 0.00 H new ATOM 0 HB3 TRP A 7 9.506 -3.897 2.003 1.00 0.00 H new ATOM 0 HD1 TRP A 7 9.268 -0.967 -0.547 1.00 0.00 H new ATOM 0 HE1 TRP A 7 9.925 -1.852 -2.890 1.00 0.00 H new ATOM 0 HE3 TRP A 7 10.261 -5.815 0.692 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 10.806 -4.366 -4.029 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 11.025 -7.430 -1.026 1.00 0.00 H new ATOM 0 HH2 TRP A 7 11.297 -6.711 -3.382 1.00 0.00 H new ATOM 111 N CYS A 8 6.567 -2.016 -0.210 1.00 0.00 N ATOM 112 CA CYS A 8 5.692 -2.365 -1.377 1.00 0.00 C ATOM 113 C CYS A 8 6.480 -2.081 -2.667 1.00 0.00 C ATOM 114 O CYS A 8 7.115 -1.053 -2.791 1.00 0.00 O ATOM 115 CB CYS A 8 4.446 -1.471 -1.357 1.00 0.00 C ATOM 116 SG CYS A 8 4.928 0.261 -1.477 1.00 0.00 S ATOM 0 H CYS A 8 6.791 -1.024 -0.126 1.00 0.00 H new ATOM 0 HA CYS A 8 5.395 -3.413 -1.327 1.00 0.00 H new ATOM 0 HB2 CYS A 8 3.788 -1.732 -2.186 1.00 0.00 H new ATOM 0 HB3 CYS A 8 3.883 -1.638 -0.438 1.00 0.00 H new ATOM 121 N LYS A 9 6.454 -2.969 -3.629 1.00 0.00 N ATOM 122 CA LYS A 9 7.214 -2.714 -4.894 1.00 0.00 C ATOM 123 C LYS A 9 6.308 -1.976 -5.898 1.00 0.00 C ATOM 124 O LYS A 9 6.749 -1.103 -6.617 1.00 0.00 O ATOM 125 CB LYS A 9 7.688 -4.052 -5.494 1.00 0.00 C ATOM 126 CG LYS A 9 8.919 -3.830 -6.407 1.00 0.00 C ATOM 127 CD LYS A 9 8.514 -3.944 -7.883 1.00 0.00 C ATOM 128 CE LYS A 9 9.531 -3.218 -8.769 1.00 0.00 C ATOM 129 NZ LYS A 9 8.926 -2.965 -10.109 1.00 0.00 N ATOM 0 H LYS A 9 5.945 -3.852 -3.596 1.00 0.00 H new ATOM 0 HA LYS A 9 8.085 -2.096 -4.677 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.942 -4.747 -4.693 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.880 -4.507 -6.067 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.350 -2.847 -6.216 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.689 -4.566 -6.176 1.00 0.00 H new ATOM 0 HD2 LYS A 9 8.454 -4.994 -8.171 1.00 0.00 H new ATOM 0 HD3 LYS A 9 7.522 -3.516 -8.030 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.826 -2.276 -8.307 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.434 -3.819 -8.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 9.614 -2.472 -10.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.665 -3.871 -10.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.076 -2.376 -10.000 1.00 0.00 H new ATOM 143 N GLU A 10 5.041 -2.310 -5.931 1.00 0.00 N ATOM 144 CA GLU A 10 4.089 -1.622 -6.865 1.00 0.00 C ATOM 145 C GLU A 10 2.718 -1.536 -6.197 1.00 0.00 C ATOM 146 O GLU A 10 2.501 -2.045 -5.115 1.00 0.00 O ATOM 147 CB GLU A 10 3.886 -2.400 -8.186 1.00 0.00 C ATOM 148 CG GLU A 10 5.043 -3.358 -8.474 1.00 0.00 C ATOM 149 CD GLU A 10 4.519 -4.549 -9.283 1.00 0.00 C ATOM 150 OE1 GLU A 10 3.568 -5.169 -8.831 1.00 0.00 O ATOM 151 OE2 GLU A 10 5.077 -4.826 -10.331 1.00 0.00 O ATOM 0 H GLU A 10 4.621 -3.034 -5.348 1.00 0.00 H new ATOM 0 HA GLU A 10 4.515 -0.644 -7.087 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.954 -2.963 -8.135 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.787 -1.694 -9.010 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.828 -2.843 -9.028 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.486 -3.704 -7.540 1.00 0.00 H new ATOM 158 N LYS A 11 1.788 -0.922 -6.870 1.00 0.00 N ATOM 159 CA LYS A 11 0.403 -0.809 -6.338 1.00 0.00 C ATOM 160 C LYS A 11 -0.206 -2.206 -6.153 1.00 0.00 C ATOM 161 O LYS A 11 -0.855 -2.486 -5.166 1.00 0.00 O ATOM 162 CB LYS A 11 -0.422 0.030 -7.345 1.00 0.00 C ATOM 163 CG LYS A 11 -1.888 0.071 -6.914 1.00 0.00 C ATOM 164 CD LYS A 11 -2.606 1.171 -7.707 1.00 0.00 C ATOM 165 CE LYS A 11 -2.611 0.839 -9.204 1.00 0.00 C ATOM 166 NZ LYS A 11 -3.182 -0.520 -9.420 1.00 0.00 N ATOM 0 H LYS A 11 1.931 -0.487 -7.781 1.00 0.00 H new ATOM 0 HA LYS A 11 0.401 -0.321 -5.363 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.022 1.043 -7.401 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.340 -0.400 -8.343 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.361 -0.894 -7.094 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.962 0.268 -5.844 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.630 1.276 -7.349 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.111 2.128 -7.543 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.197 1.580 -9.748 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.596 0.883 -9.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.497 -0.611 -10.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.456 -1.237 -9.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.992 -0.661 -8.784 1.00 0.00 H new ATOM 180 N LYS A 12 -0.070 -3.081 -7.102 1.00 0.00 N ATOM 181 CA LYS A 12 -0.572 -4.454 -7.004 1.00 0.00 C ATOM 182 C LYS A 12 0.375 -5.362 -6.212 1.00 0.00 C ATOM 183 O LYS A 12 0.016 -6.455 -5.817 1.00 0.00 O ATOM 184 CB LYS A 12 -0.719 -5.026 -8.417 1.00 0.00 C ATOM 185 CG LYS A 12 0.239 -4.306 -9.366 1.00 0.00 C ATOM 186 CD LYS A 12 0.174 -4.950 -10.751 1.00 0.00 C ATOM 187 CE LYS A 12 1.060 -4.163 -11.717 1.00 0.00 C ATOM 188 NZ LYS A 12 2.331 -3.792 -11.035 1.00 0.00 N ATOM 0 H LYS A 12 0.396 -2.877 -7.986 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.528 -4.422 -6.481 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -0.506 -6.095 -8.411 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -1.746 -4.908 -8.763 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -0.025 -3.250 -9.433 1.00 0.00 H new ATOM 0 HG3 LYS A 12 1.256 -4.357 -8.978 1.00 0.00 H new ATOM 0 HD2 LYS A 12 0.506 -5.987 -10.698 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -0.855 -4.962 -11.111 1.00 0.00 H new ATOM 0 HE2 LYS A 12 1.272 -4.762 -12.603 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.541 -3.266 -12.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 3.078 -3.652 -11.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 2.193 -2.911 -10.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 2.610 -4.553 -10.384 1.00 0.00 H new ATOM 202 N ASP A 13 1.587 -4.938 -6.006 1.00 0.00 N ATOM 203 CA ASP A 13 2.561 -5.799 -5.274 1.00 0.00 C ATOM 204 C ASP A 13 2.219 -5.881 -3.787 1.00 0.00 C ATOM 205 O ASP A 13 2.800 -6.665 -3.068 1.00 0.00 O ATOM 206 CB ASP A 13 3.972 -5.240 -5.459 1.00 0.00 C ATOM 207 CG ASP A 13 4.849 -6.271 -6.176 1.00 0.00 C ATOM 208 OD1 ASP A 13 5.064 -7.330 -5.611 1.00 0.00 O ATOM 209 OD2 ASP A 13 5.281 -5.988 -7.278 1.00 0.00 O ATOM 0 H ASP A 13 1.948 -4.034 -6.311 1.00 0.00 H new ATOM 0 HA ASP A 13 2.509 -6.808 -5.684 1.00 0.00 H new ATOM 0 HB2 ASP A 13 3.934 -4.317 -6.037 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.405 -4.992 -4.490 1.00 0.00 H new ATOM 214 N CYS A 14 1.277 -5.117 -3.307 1.00 0.00 N ATOM 215 CA CYS A 14 0.929 -5.219 -1.883 1.00 0.00 C ATOM 216 C CYS A 14 -0.130 -6.299 -1.741 1.00 0.00 C ATOM 217 O CYS A 14 -0.983 -6.461 -2.593 1.00 0.00 O ATOM 218 CB CYS A 14 0.381 -3.889 -1.397 1.00 0.00 C ATOM 219 SG CYS A 14 1.739 -2.718 -1.162 1.00 0.00 S ATOM 0 H CYS A 14 0.742 -4.434 -3.844 1.00 0.00 H new ATOM 0 HA CYS A 14 1.808 -5.470 -1.289 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.332 -3.493 -2.120 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -0.158 -4.028 -0.460 1.00 0.00 H new ATOM 224 N CYS A 15 -0.072 -7.058 -0.695 1.00 0.00 N ATOM 225 CA CYS A 15 -1.062 -8.143 -0.532 1.00 0.00 C ATOM 226 C CYS A 15 -2.466 -7.574 -0.661 1.00 0.00 C ATOM 227 O CYS A 15 -2.729 -6.428 -0.348 1.00 0.00 O ATOM 228 CB CYS A 15 -0.866 -8.818 0.827 1.00 0.00 C ATOM 229 SG CYS A 15 -0.371 -10.540 0.567 1.00 0.00 S ATOM 0 H CYS A 15 0.616 -6.975 0.053 1.00 0.00 H new ATOM 0 HA CYS A 15 -0.921 -8.893 -1.311 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -0.105 -8.291 1.402 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -1.789 -8.775 1.405 1.00 0.00 H new ATOM 234 N CYS A 16 -3.358 -8.368 -1.152 1.00 0.00 N ATOM 235 CA CYS A 16 -4.748 -7.908 -1.344 1.00 0.00 C ATOM 236 C CYS A 16 -5.251 -7.244 -0.069 1.00 0.00 C ATOM 237 O CYS A 16 -5.297 -7.834 0.992 1.00 0.00 O ATOM 238 CB CYS A 16 -5.607 -9.120 -1.719 1.00 0.00 C ATOM 239 SG CYS A 16 -4.527 -10.426 -2.372 1.00 0.00 S ATOM 0 H CYS A 16 -3.181 -9.332 -1.433 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.804 -7.170 -2.144 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -6.150 -9.482 -0.846 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -6.351 -8.839 -2.464 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.802 -10.912 -1.408 1.00 0.00 H new ATOM 244 N GLY A 17 -5.616 -6.000 -0.184 1.00 0.00 N ATOM 245 CA GLY A 17 -6.116 -5.240 1.000 1.00 0.00 C ATOM 246 C GLY A 17 -5.055 -4.236 1.450 1.00 0.00 C ATOM 247 O GLY A 17 -5.255 -3.485 2.384 1.00 0.00 O ATOM 0 H GLY A 17 -5.590 -5.469 -1.055 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -7.040 -4.719 0.747 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.350 -5.927 1.814 1.00 0.00 H new ATOM 251 N TYR A 18 -3.932 -4.215 0.789 1.00 0.00 N ATOM 252 CA TYR A 18 -2.854 -3.256 1.163 1.00 0.00 C ATOM 253 C TYR A 18 -2.369 -2.543 -0.110 1.00 0.00 C ATOM 254 O TYR A 18 -2.340 -3.127 -1.174 1.00 0.00 O ATOM 255 CB TYR A 18 -1.706 -4.031 1.814 1.00 0.00 C ATOM 256 CG TYR A 18 -2.229 -4.814 2.997 1.00 0.00 C ATOM 257 CD1 TYR A 18 -2.400 -4.192 4.239 1.00 0.00 C ATOM 258 CD2 TYR A 18 -2.542 -6.169 2.847 1.00 0.00 C ATOM 259 CE1 TYR A 18 -2.887 -4.929 5.327 1.00 0.00 C ATOM 260 CE2 TYR A 18 -3.028 -6.904 3.934 1.00 0.00 C ATOM 261 CZ TYR A 18 -3.200 -6.283 5.174 1.00 0.00 C ATOM 262 OH TYR A 18 -3.681 -7.004 6.247 1.00 0.00 O ATOM 0 H TYR A 18 -3.713 -4.824 0.001 1.00 0.00 H new ATOM 0 HA TYR A 18 -3.224 -2.514 1.870 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -1.253 -4.707 1.089 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.926 -3.342 2.137 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -2.157 -3.146 4.359 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -2.408 -6.649 1.889 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -3.021 -4.450 6.286 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.270 -7.950 3.815 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.849 -7.929 5.971 1.00 0.00 H new ATOM 272 N ASN A 19 -2.008 -1.284 -0.019 1.00 0.00 N ATOM 273 CA ASN A 19 -1.545 -0.540 -1.239 1.00 0.00 C ATOM 274 C ASN A 19 -0.096 -0.075 -1.061 1.00 0.00 C ATOM 275 O ASN A 19 0.456 -0.140 0.015 1.00 0.00 O ATOM 276 CB ASN A 19 -2.436 0.684 -1.458 1.00 0.00 C ATOM 277 CG ASN A 19 -2.580 1.454 -0.144 1.00 0.00 C ATOM 278 OD1 ASN A 19 -2.921 0.884 0.872 1.00 0.00 O ATOM 279 ND2 ASN A 19 -2.327 2.733 -0.118 1.00 0.00 N ATOM 0 H ASN A 19 -2.013 -0.740 0.844 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.605 -1.207 -2.099 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -2.004 1.329 -2.224 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -3.416 0.373 -1.819 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -2.416 3.253 0.755 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -2.040 3.214 -0.971 1.00 0.00 H new ATOM 286 N CYS A 20 0.516 0.393 -2.121 1.00 0.00 N ATOM 287 CA CYS A 20 1.934 0.863 -2.045 1.00 0.00 C ATOM 288 C CYS A 20 1.959 2.350 -1.683 1.00 0.00 C ATOM 289 O CYS A 20 1.301 3.161 -2.307 1.00 0.00 O ATOM 290 CB CYS A 20 2.585 0.665 -3.421 1.00 0.00 C ATOM 291 SG CYS A 20 4.398 0.796 -3.348 1.00 0.00 S ATOM 0 H CYS A 20 0.089 0.470 -3.044 1.00 0.00 H new ATOM 0 HA CYS A 20 2.476 0.299 -1.286 1.00 0.00 H new ATOM 0 HB2 CYS A 20 2.309 -0.313 -3.815 1.00 0.00 H new ATOM 0 HB3 CYS A 20 2.196 1.410 -4.116 1.00 0.00 H new ATOM 296 N VAL A 21 2.712 2.713 -0.681 1.00 0.00 N ATOM 297 CA VAL A 21 2.785 4.147 -0.269 1.00 0.00 C ATOM 298 C VAL A 21 4.247 4.583 -0.201 1.00 0.00 C ATOM 299 O VAL A 21 5.074 3.918 0.392 1.00 0.00 O ATOM 300 CB VAL A 21 2.131 4.307 1.102 1.00 0.00 C ATOM 301 CG1 VAL A 21 1.819 5.783 1.365 1.00 0.00 C ATOM 302 CG2 VAL A 21 0.831 3.501 1.126 1.00 0.00 C ATOM 0 H VAL A 21 3.283 2.076 -0.126 1.00 0.00 H new ATOM 0 HA VAL A 21 2.261 4.768 -0.996 1.00 0.00 H new ATOM 0 HB VAL A 21 2.811 3.946 1.874 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.353 5.887 2.345 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.743 6.360 1.339 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.139 6.153 0.598 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.355 3.608 2.101 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.159 3.871 0.351 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.052 2.449 0.943 1.00 0.00 H new ATOM 312 N TYR A 22 4.578 5.690 -0.805 1.00 0.00 N ATOM 313 CA TYR A 22 5.991 6.150 -0.771 1.00 0.00 C ATOM 314 C TYR A 22 6.313 6.670 0.629 1.00 0.00 C ATOM 315 O TYR A 22 5.730 7.627 1.097 1.00 0.00 O ATOM 316 CB TYR A 22 6.182 7.278 -1.789 1.00 0.00 C ATOM 317 CG TYR A 22 7.657 7.482 -2.054 1.00 0.00 C ATOM 318 CD1 TYR A 22 8.288 6.760 -3.074 1.00 0.00 C ATOM 319 CD2 TYR A 22 8.394 8.394 -1.285 1.00 0.00 C ATOM 320 CE1 TYR A 22 9.651 6.948 -3.326 1.00 0.00 C ATOM 321 CE2 TYR A 22 9.759 8.581 -1.537 1.00 0.00 C ATOM 322 CZ TYR A 22 10.387 7.857 -2.558 1.00 0.00 C ATOM 323 OH TYR A 22 11.730 8.045 -2.812 1.00 0.00 O ATOM 0 H TYR A 22 3.934 6.292 -1.318 1.00 0.00 H new ATOM 0 HA TYR A 22 6.655 5.322 -1.018 1.00 0.00 H new ATOM 0 HB2 TYR A 22 5.666 7.034 -2.718 1.00 0.00 H new ATOM 0 HB3 TYR A 22 5.740 8.200 -1.412 1.00 0.00 H new ATOM 0 HD1 TYR A 22 7.722 6.057 -3.667 1.00 0.00 H new ATOM 0 HD2 TYR A 22 7.909 8.952 -0.498 1.00 0.00 H new ATOM 0 HE1 TYR A 22 10.136 6.391 -4.114 1.00 0.00 H new ATOM 0 HE2 TYR A 22 10.327 9.283 -0.944 1.00 0.00 H new ATOM 0 HH TYR A 22 12.036 8.863 -2.368 1.00 0.00 H new ATOM 333 N ALA A 23 7.250 6.056 1.296 1.00 0.00 N ATOM 334 CA ALA A 23 7.620 6.526 2.657 1.00 0.00 C ATOM 335 C ALA A 23 8.732 7.568 2.519 1.00 0.00 C ATOM 336 O ALA A 23 9.896 7.241 2.404 1.00 0.00 O ATOM 337 CB ALA A 23 8.098 5.332 3.495 1.00 0.00 C ATOM 0 H ALA A 23 7.774 5.250 0.957 1.00 0.00 H new ATOM 0 HA ALA A 23 6.762 6.975 3.157 1.00 0.00 H new ATOM 0 HB1 ALA A 23 8.370 5.674 4.494 1.00 0.00 H new ATOM 0 HB2 ALA A 23 7.298 4.596 3.569 1.00 0.00 H new ATOM 0 HB3 ALA A 23 8.966 4.877 3.018 1.00 0.00 H new ATOM 343 N TRP A 24 8.371 8.818 2.496 1.00 0.00 N ATOM 344 CA TRP A 24 9.387 9.894 2.335 1.00 0.00 C ATOM 345 C TRP A 24 10.500 9.741 3.375 1.00 0.00 C ATOM 346 O TRP A 24 11.663 9.928 3.075 1.00 0.00 O ATOM 347 CB TRP A 24 8.712 11.258 2.489 1.00 0.00 C ATOM 348 CG TRP A 24 8.248 11.449 3.900 1.00 0.00 C ATOM 349 CD1 TRP A 24 7.485 10.577 4.599 1.00 0.00 C ATOM 350 CD2 TRP A 24 8.492 12.579 4.786 1.00 0.00 C ATOM 351 NE1 TRP A 24 7.256 11.096 5.859 1.00 0.00 N ATOM 352 CE2 TRP A 24 7.856 12.326 6.023 1.00 0.00 C ATOM 353 CE3 TRP A 24 9.201 13.784 4.639 1.00 0.00 C ATOM 354 CZ2 TRP A 24 7.920 13.236 7.078 1.00 0.00 C ATOM 355 CZ3 TRP A 24 9.267 14.703 5.699 1.00 0.00 C ATOM 356 CH2 TRP A 24 8.628 14.429 6.916 1.00 0.00 C ATOM 0 H TRP A 24 7.408 9.144 2.582 1.00 0.00 H new ATOM 0 HA TRP A 24 9.831 9.817 1.342 1.00 0.00 H new ATOM 0 HB2 TRP A 24 9.410 12.050 2.218 1.00 0.00 H new ATOM 0 HB3 TRP A 24 7.865 11.332 1.807 1.00 0.00 H new ATOM 0 HD1 TRP A 24 7.116 9.631 4.232 1.00 0.00 H new ATOM 0 HE1 TRP A 24 6.709 10.626 6.580 1.00 0.00 H new ATOM 0 HE3 TRP A 24 9.698 14.004 3.706 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 7.426 13.020 8.014 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 9.813 15.626 5.576 1.00 0.00 H new ATOM 0 HH2 TRP A 24 8.683 15.140 7.728 1.00 0.00 H new ATOM 367 N TYR A 25 10.168 9.403 4.593 1.00 0.00 N ATOM 368 CA TYR A 25 11.237 9.246 5.620 1.00 0.00 C ATOM 369 C TYR A 25 11.993 7.944 5.343 1.00 0.00 C ATOM 370 O TYR A 25 11.407 6.932 5.024 1.00 0.00 O ATOM 371 CB TYR A 25 10.615 9.251 7.029 1.00 0.00 C ATOM 372 CG TYR A 25 10.233 7.849 7.469 1.00 0.00 C ATOM 373 CD1 TYR A 25 9.389 7.061 6.677 1.00 0.00 C ATOM 374 CD2 TYR A 25 10.710 7.352 8.691 1.00 0.00 C ATOM 375 CE1 TYR A 25 9.023 5.777 7.107 1.00 0.00 C ATOM 376 CE2 TYR A 25 10.346 6.069 9.117 1.00 0.00 C ATOM 377 CZ TYR A 25 9.502 5.282 8.325 1.00 0.00 C ATOM 378 OH TYR A 25 9.136 4.021 8.748 1.00 0.00 O ATOM 0 H TYR A 25 9.216 9.231 4.917 1.00 0.00 H new ATOM 0 HA TYR A 25 11.940 10.078 5.570 1.00 0.00 H new ATOM 0 HB2 TYR A 25 11.323 9.677 7.740 1.00 0.00 H new ATOM 0 HB3 TYR A 25 9.732 9.890 7.037 1.00 0.00 H new ATOM 0 HD1 TYR A 25 9.020 7.441 5.736 1.00 0.00 H new ATOM 0 HD2 TYR A 25 11.359 7.960 9.304 1.00 0.00 H new ATOM 0 HE1 TYR A 25 8.371 5.170 6.497 1.00 0.00 H new ATOM 0 HE2 TYR A 25 10.716 5.687 10.057 1.00 0.00 H new ATOM 0 HH TYR A 25 9.556 3.831 9.613 1.00 0.00 H new ATOM 388 N ASN A 26 13.296 7.975 5.428 1.00 0.00 N ATOM 389 CA ASN A 26 14.092 6.750 5.135 1.00 0.00 C ATOM 390 C ASN A 26 13.742 6.249 3.724 1.00 0.00 C ATOM 391 O ASN A 26 14.088 5.152 3.339 1.00 0.00 O ATOM 392 CB ASN A 26 13.795 5.674 6.193 1.00 0.00 C ATOM 393 CG ASN A 26 12.861 4.610 5.618 1.00 0.00 C ATOM 394 OD1 ASN A 26 13.303 3.639 5.038 1.00 0.00 O ATOM 395 ND2 ASN A 26 11.576 4.756 5.758 1.00 0.00 N ATOM 0 H ASN A 26 13.843 8.796 5.688 1.00 0.00 H new ATOM 0 HA ASN A 26 15.157 6.977 5.172 1.00 0.00 H new ATOM 0 HB2 ASN A 26 14.725 5.211 6.523 1.00 0.00 H new ATOM 0 HB3 ASN A 26 13.339 6.133 7.070 1.00 0.00 H new ATOM 0 HD21 ASN A 26 10.939 4.055 5.380 1.00 0.00 H new ATOM 0 HD22 ASN A 26 11.206 5.572 6.245 1.00 0.00 H new ATOM 402 N GLN A 27 13.069 7.065 2.948 1.00 0.00 N ATOM 403 CA GLN A 27 12.702 6.664 1.556 1.00 0.00 C ATOM 404 C GLN A 27 12.029 5.278 1.570 1.00 0.00 C ATOM 405 O GLN A 27 11.451 4.877 2.560 1.00 0.00 O ATOM 406 CB GLN A 27 13.982 6.648 0.691 1.00 0.00 C ATOM 407 CG GLN A 27 14.096 7.959 -0.101 1.00 0.00 C ATOM 408 CD GLN A 27 14.520 9.086 0.841 1.00 0.00 C ATOM 409 OE1 GLN A 27 13.617 9.899 1.316 1.00 0.00 O flip ATOM 410 NE2 GLN A 27 15.686 9.226 1.152 1.00 0.00 N flip ATOM 0 H GLN A 27 12.757 7.997 3.222 1.00 0.00 H new ATOM 0 HA GLN A 27 11.994 7.377 1.133 1.00 0.00 H new ATOM 0 HB2 GLN A 27 14.859 6.520 1.326 1.00 0.00 H new ATOM 0 HB3 GLN A 27 13.958 5.800 0.006 1.00 0.00 H new ATOM 0 HG2 GLN A 27 14.824 7.849 -0.905 1.00 0.00 H new ATOM 0 HG3 GLN A 27 13.140 8.200 -0.567 1.00 0.00 H new ATOM 0 HE21 GLN A 27 16.393 8.591 0.781 1.00 0.00 H new ATOM 0 HE22 GLN A 27 15.958 9.979 1.784 1.00 0.00 H new ATOM 419 N GLN A 28 12.081 4.559 0.474 1.00 0.00 N ATOM 420 CA GLN A 28 11.437 3.212 0.412 1.00 0.00 C ATOM 421 C GLN A 28 9.927 3.345 0.589 1.00 0.00 C ATOM 422 O GLN A 28 9.445 4.167 1.340 1.00 0.00 O ATOM 423 CB GLN A 28 12.014 2.302 1.509 1.00 0.00 C ATOM 424 CG GLN A 28 11.172 1.032 1.664 1.00 0.00 C ATOM 425 CD GLN A 28 11.400 0.127 0.454 1.00 0.00 C ATOM 426 OE1 GLN A 28 10.962 0.499 -0.715 1.00 0.00 O flip ATOM 427 NE2 GLN A 28 12.001 -0.921 0.573 1.00 0.00 N flip ATOM 0 H GLN A 28 12.546 4.851 -0.386 1.00 0.00 H new ATOM 0 HA GLN A 28 11.642 2.768 -0.562 1.00 0.00 H new ATOM 0 HB2 GLN A 28 13.041 2.034 1.262 1.00 0.00 H new ATOM 0 HB3 GLN A 28 12.044 2.841 2.456 1.00 0.00 H new ATOM 0 HG2 GLN A 28 11.446 0.510 2.581 1.00 0.00 H new ATOM 0 HG3 GLN A 28 10.116 1.289 1.747 1.00 0.00 H new ATOM 0 HE21 GLN A 28 12.344 -1.211 1.489 1.00 0.00 H new ATOM 0 HE22 GLN A 28 12.163 -1.511 -0.243 1.00 0.00 H new ATOM 436 N SER A 29 9.185 2.526 -0.103 1.00 0.00 N ATOM 437 CA SER A 29 7.702 2.565 0.040 1.00 0.00 C ATOM 438 C SER A 29 7.234 1.451 0.934 1.00 0.00 C ATOM 439 O SER A 29 7.910 0.459 1.099 1.00 0.00 O ATOM 440 CB SER A 29 7.091 2.339 -1.369 1.00 0.00 C ATOM 441 OG SER A 29 7.475 3.391 -2.241 1.00 0.00 O ATOM 0 H SER A 29 9.540 1.832 -0.761 1.00 0.00 H new ATOM 0 HA SER A 29 7.398 3.520 0.468 1.00 0.00 H new ATOM 0 HB2 SER A 29 7.426 1.383 -1.770 1.00 0.00 H new ATOM 0 HB3 SER A 29 6.004 2.292 -1.300 1.00 0.00 H new ATOM 0 HG SER A 29 7.086 3.239 -3.128 1.00 0.00 H new ATOM 447 N SER A 30 6.079 1.591 1.530 1.00 0.00 N ATOM 448 CA SER A 30 5.583 0.530 2.437 1.00 0.00 C ATOM 449 C SER A 30 4.102 0.262 2.192 1.00 0.00 C ATOM 450 O SER A 30 3.313 1.166 2.002 1.00 0.00 O ATOM 451 CB SER A 30 5.790 0.953 3.891 1.00 0.00 C ATOM 452 OG SER A 30 5.376 -0.101 4.751 1.00 0.00 O ATOM 0 H SER A 30 5.462 2.396 1.424 1.00 0.00 H new ATOM 0 HA SER A 30 6.143 -0.384 2.238 1.00 0.00 H new ATOM 0 HB2 SER A 30 6.839 1.190 4.067 1.00 0.00 H new ATOM 0 HB3 SER A 30 5.219 1.857 4.104 1.00 0.00 H new ATOM 0 HG SER A 30 6.162 -0.592 5.069 1.00 0.00 H new ATOM 458 N CYS A 31 3.725 -0.986 2.208 1.00 0.00 N ATOM 459 CA CYS A 31 2.300 -1.342 1.992 1.00 0.00 C ATOM 460 C CYS A 31 1.466 -0.830 3.171 1.00 0.00 C ATOM 461 O CYS A 31 1.926 -0.781 4.292 1.00 0.00 O ATOM 462 CB CYS A 31 2.144 -2.865 1.893 1.00 0.00 C ATOM 463 SG CYS A 31 2.868 -3.481 0.344 1.00 0.00 S ATOM 0 H CYS A 31 4.349 -1.778 2.363 1.00 0.00 H new ATOM 0 HA CYS A 31 1.957 -0.885 1.064 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.631 -3.342 2.744 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.088 -3.132 1.939 1.00 0.00 H new ATOM 468 N GLU A 32 0.235 -0.464 2.933 1.00 0.00 N ATOM 469 CA GLU A 32 -0.625 0.017 4.052 1.00 0.00 C ATOM 470 C GLU A 32 -2.059 -0.451 3.813 1.00 0.00 C ATOM 471 O GLU A 32 -2.548 -0.450 2.702 1.00 0.00 O ATOM 472 CB GLU A 32 -0.554 1.550 4.162 1.00 0.00 C ATOM 473 CG GLU A 32 -1.630 2.200 3.298 1.00 0.00 C ATOM 474 CD GLU A 32 -1.746 3.683 3.657 1.00 0.00 C ATOM 475 OE1 GLU A 32 -0.722 4.290 3.928 1.00 0.00 O ATOM 476 OE2 GLU A 32 -2.856 4.190 3.650 1.00 0.00 O ATOM 0 H GLU A 32 -0.211 -0.477 2.016 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.268 -0.398 4.995 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.683 1.852 5.201 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.431 1.897 3.849 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.380 2.089 2.243 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.587 1.701 3.454 1.00 0.00 H new ATOM 483 N ARG A 33 -2.730 -0.869 4.847 1.00 0.00 N ATOM 484 CA ARG A 33 -4.123 -1.351 4.679 1.00 0.00 C ATOM 485 C ARG A 33 -5.033 -0.220 4.207 1.00 0.00 C ATOM 486 O ARG A 33 -4.783 0.944 4.450 1.00 0.00 O ATOM 487 CB ARG A 33 -4.651 -1.901 6.009 1.00 0.00 C ATOM 488 CG ARG A 33 -5.778 -2.913 5.727 1.00 0.00 C ATOM 489 CD ARG A 33 -7.073 -2.467 6.407 1.00 0.00 C ATOM 490 NE ARG A 33 -7.065 -2.921 7.831 1.00 0.00 N ATOM 491 CZ ARG A 33 -7.348 -2.089 8.806 1.00 0.00 C ATOM 492 NH1 ARG A 33 -7.656 -0.847 8.547 1.00 0.00 N ATOM 493 NH2 ARG A 33 -7.320 -2.507 10.043 1.00 0.00 N ATOM 0 H ARG A 33 -2.372 -0.897 5.802 1.00 0.00 H new ATOM 0 HA ARG A 33 -4.121 -2.141 3.928 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -3.845 -2.382 6.563 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.024 -1.087 6.630 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.936 -3.002 4.652 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.490 -3.900 6.090 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -7.167 -1.382 6.360 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -7.934 -2.885 5.885 1.00 0.00 H new ATOM 0 HE ARG A 33 -6.836 -3.891 8.048 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -7.678 -0.518 7.582 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -7.875 -0.206 9.310 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -7.079 -3.477 10.248 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -7.539 -1.864 10.804 1.00 0.00 H new ATOM 507 N LYS A 34 -6.103 -0.567 3.556 1.00 0.00 N ATOM 508 CA LYS A 34 -7.063 0.453 3.084 1.00 0.00 C ATOM 509 C LYS A 34 -8.406 -0.212 2.829 1.00 0.00 C ATOM 510 O LYS A 34 -8.833 -0.377 1.702 1.00 0.00 O ATOM 511 CB LYS A 34 -6.580 1.089 1.793 1.00 0.00 C ATOM 512 CG LYS A 34 -6.331 -0.014 0.745 1.00 0.00 C ATOM 513 CD LYS A 34 -6.884 0.415 -0.638 1.00 0.00 C ATOM 514 CE LYS A 34 -7.771 -0.689 -1.243 1.00 0.00 C ATOM 515 NZ LYS A 34 -9.206 -0.358 -1.002 1.00 0.00 N ATOM 0 H LYS A 34 -6.354 -1.529 3.329 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.155 1.226 3.847 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.321 1.797 1.423 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.663 1.651 1.971 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.263 -0.217 0.669 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.809 -0.940 1.063 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.461 1.334 -0.534 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.056 0.633 -1.313 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.581 -0.778 -2.313 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.528 -1.653 -0.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.809 -1.016 -1.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.416 -0.443 0.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.395 0.616 -1.314 1.00 0.00 H new