USER MOD reduce.3.24.130724 H: found=0, std=0, add=262, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 262 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 8 THR OG1 : rot 180:sc= -0.276 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= -0.17 USER MOD Single : A 3 THR OG1 : rot -129:sc= -0.0293 USER MOD Single : A 4 ASN : amide:sc=-0.00748 X(o=-0.0075,f=-0.36) USER MOD Single : A 6 SER OG : rot -3:sc= 0.612! USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -163:sc=-0.00273 (180deg=-0.27) USER MOD Single : A 15 SER OG : rot 180:sc= 0.00143 USER MOD Single : A 18 GLN : amide:sc= -0.779 K(o=-0.78,f=0) USER MOD Single : A 21 HIS : no HE2:sc= -1.55 K(o=-1.5,f=-2.6) USER MOD Single : A 22 ASN : amide:sc= -0.0344 X(o=-0.034,f=-0.14) USER MOD Single : A 23 THR OG1 : rot 99:sc= -0.503 USER MOD Single : A 24 SER OG : rot 180:sc= -0.0294 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0.459 K(o=0.46,f=-4.6!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -122:sc= -0.158 (180deg=-1.42) USER MOD ----------------------------------------------------------------- ATOM 15 N PHE A 2 2.831 3.548 -0.100 1.00 20.00 N ATOM 16 CA PHE A 2 3.175 4.497 -1.198 1.00 20.00 C ATOM 17 C PHE A 2 4.259 3.936 -2.120 1.00 20.00 C ATOM 18 O PHE A 2 5.152 3.247 -1.669 1.00 20.00 O ATOM 19 CB PHE A 2 3.651 5.787 -0.559 1.00 20.00 C ATOM 20 CG PHE A 2 2.638 6.176 0.521 1.00 20.00 C ATOM 21 CD1 PHE A 2 1.386 6.647 0.179 1.00 20.00 C ATOM 22 CD2 PHE A 2 2.971 6.047 1.856 1.00 20.00 C ATOM 23 CE1 PHE A 2 0.480 6.989 1.161 1.00 20.00 C ATOM 24 CE2 PHE A 2 2.065 6.391 2.839 1.00 20.00 C ATOM 25 CZ PHE A 2 0.817 6.859 2.491 1.00 20.00 C ATOM 0 HA PHE A 2 2.293 4.667 -1.816 1.00 20.00 H new ATOM 0 HB2 PHE A 2 4.642 5.655 -0.124 1.00 20.00 H new ATOM 0 HB3 PHE A 2 3.734 6.576 -1.307 1.00 20.00 H new ATOM 0 HD1 PHE A 2 1.115 6.748 -0.862 1.00 20.00 H new ATOM 0 HD2 PHE A 2 3.946 5.675 2.132 1.00 20.00 H new ATOM 0 HE1 PHE A 2 -0.497 7.360 0.887 1.00 20.00 H new ATOM 0 HE2 PHE A 2 2.334 6.293 3.880 1.00 20.00 H new ATOM 0 HZ PHE A 2 0.105 7.123 3.258 1.00 20.00 H new ATOM 35 N THR A 3 4.153 4.245 -3.388 1.00 20.00 N ATOM 36 CA THR A 3 5.162 3.755 -4.371 1.00 20.00 C ATOM 37 C THR A 3 5.739 5.014 -5.031 1.00 20.00 C ATOM 38 O THR A 3 5.054 6.011 -5.161 1.00 20.00 O ATOM 39 CB THR A 3 4.466 2.842 -5.413 1.00 20.00 C ATOM 40 OG1 THR A 3 3.417 3.633 -5.946 1.00 20.00 O ATOM 41 CG2 THR A 3 3.746 1.646 -4.752 1.00 20.00 C ATOM 0 H THR A 3 3.408 4.818 -3.784 1.00 20.00 H new ATOM 0 HA THR A 3 5.951 3.165 -3.904 1.00 20.00 H new ATOM 0 HB THR A 3 5.208 2.477 -6.123 1.00 20.00 H new ATOM 0 HG1 THR A 3 2.576 3.131 -5.907 1.00 20.00 H new ATOM 0 HG21 THR A 3 3.274 1.035 -5.521 1.00 20.00 H new ATOM 0 HG22 THR A 3 4.470 1.043 -4.204 1.00 20.00 H new ATOM 0 HG23 THR A 3 2.986 2.014 -4.064 1.00 20.00 H new ATOM 49 N ASN A 4 6.982 4.941 -5.430 1.00 20.00 N ATOM 50 CA ASN A 4 7.651 6.110 -6.086 1.00 20.00 C ATOM 51 C ASN A 4 7.296 6.161 -7.575 1.00 20.00 C ATOM 52 O ASN A 4 8.054 6.654 -8.388 1.00 20.00 O ATOM 53 CB ASN A 4 9.153 5.951 -5.914 1.00 20.00 C ATOM 54 CG ASN A 4 9.439 5.676 -4.435 1.00 20.00 C ATOM 55 OD1 ASN A 4 9.482 4.540 -4.006 1.00 20.00 O ATOM 56 ND2 ASN A 4 9.639 6.677 -3.621 1.00 20.00 N ATOM 0 H ASN A 4 7.570 4.114 -5.329 1.00 20.00 H new ATOM 0 HA ASN A 4 7.313 7.039 -5.627 1.00 20.00 H new ATOM 0 HB2 ASN A 4 9.522 5.132 -6.531 1.00 20.00 H new ATOM 0 HB3 ASN A 4 9.671 6.853 -6.240 1.00 20.00 H new ATOM 0 HD21 ASN A 4 9.829 6.502 -2.634 1.00 20.00 H new ATOM 0 HD22 ASN A 4 9.605 7.634 -3.972 1.00 20.00 H new ATOM 63 N VAL A 5 6.141 5.642 -7.886 1.00 20.00 N ATOM 64 CA VAL A 5 5.667 5.616 -9.296 1.00 20.00 C ATOM 65 C VAL A 5 4.838 6.838 -9.678 1.00 20.00 C ATOM 66 O VAL A 5 3.879 7.126 -9.001 1.00 20.00 O ATOM 67 CB VAL A 5 4.830 4.334 -9.485 1.00 20.00 C ATOM 68 CG1 VAL A 5 4.134 4.302 -10.847 1.00 20.00 C ATOM 69 CG2 VAL A 5 5.714 3.093 -9.373 1.00 20.00 C ATOM 0 H VAL A 5 5.497 5.229 -7.212 1.00 20.00 H new ATOM 0 HA VAL A 5 6.539 5.630 -9.949 1.00 20.00 H new ATOM 0 HB VAL A 5 4.075 4.336 -8.698 1.00 20.00 H new ATOM 0 HG11 VAL A 5 3.556 3.383 -10.939 1.00 20.00 H new ATOM 0 HG12 VAL A 5 3.468 5.160 -10.935 1.00 20.00 H new ATOM 0 HG13 VAL A 5 4.882 4.340 -11.639 1.00 20.00 H new ATOM 0 HG21 VAL A 5 5.105 2.199 -9.509 1.00 20.00 H new ATOM 0 HG22 VAL A 5 6.487 3.126 -10.141 1.00 20.00 H new ATOM 0 HG23 VAL A 5 6.182 3.067 -8.389 1.00 20.00 H new ATOM 79 N SER A 6 5.180 7.544 -10.726 1.00 20.00 N ATOM 80 CA SER A 6 4.341 8.726 -11.073 1.00 20.00 C ATOM 81 C SER A 6 3.313 8.201 -12.082 1.00 20.00 C ATOM 82 O SER A 6 3.670 7.529 -13.032 1.00 20.00 O ATOM 83 CB SER A 6 5.217 9.817 -11.707 1.00 20.00 C ATOM 84 OG SER A 6 5.643 9.274 -12.948 1.00 20.00 O ATOM 0 H SER A 6 5.976 7.361 -11.337 1.00 20.00 H new ATOM 0 HA SER A 6 3.860 9.169 -10.201 1.00 20.00 H new ATOM 0 HB2 SER A 6 4.655 10.739 -11.852 1.00 20.00 H new ATOM 0 HB3 SER A 6 6.068 10.059 -11.070 1.00 20.00 H new ATOM 0 HG SER A 6 5.309 8.357 -13.036 1.00 20.00 H new ATOM 90 N CYS A 7 2.063 8.506 -11.869 1.00 20.00 N ATOM 91 CA CYS A 7 1.027 8.011 -12.827 1.00 20.00 C ATOM 92 C CYS A 7 0.688 9.032 -13.907 1.00 20.00 C ATOM 93 O CYS A 7 1.153 10.155 -13.894 1.00 20.00 O ATOM 94 CB CYS A 7 -0.256 7.703 -12.100 1.00 20.00 C ATOM 95 SG CYS A 7 -1.195 9.144 -11.536 1.00 20.00 S ATOM 0 H CYS A 7 1.715 9.065 -11.090 1.00 20.00 H new ATOM 0 HA CYS A 7 1.453 7.121 -13.290 1.00 20.00 H new ATOM 0 HB2 CYS A 7 -0.893 7.110 -12.757 1.00 20.00 H new ATOM 0 HB3 CYS A 7 -0.023 7.081 -11.236 1.00 20.00 H new ATOM 100 N THR A 8 -0.133 8.576 -14.813 1.00 20.00 N ATOM 101 CA THR A 8 -0.595 9.421 -15.947 1.00 20.00 C ATOM 102 C THR A 8 -2.038 9.798 -15.598 1.00 20.00 C ATOM 103 O THR A 8 -2.499 10.887 -15.881 1.00 20.00 O ATOM 104 CB THR A 8 -0.552 8.607 -17.238 1.00 20.00 C ATOM 105 OG1 THR A 8 -1.457 7.537 -17.013 1.00 20.00 O ATOM 106 CG2 THR A 8 0.806 7.918 -17.392 1.00 20.00 C ATOM 0 H THR A 8 -0.511 7.629 -14.813 1.00 20.00 H new ATOM 0 HA THR A 8 0.028 10.303 -16.096 1.00 20.00 H new ATOM 0 HB THR A 8 -0.762 9.245 -18.097 1.00 20.00 H new ATOM 0 HG1 THR A 8 -1.488 6.962 -17.806 1.00 20.00 H new ATOM 0 HG21 THR A 8 0.819 7.342 -18.317 1.00 20.00 H new ATOM 0 HG22 THR A 8 1.594 8.670 -17.421 1.00 20.00 H new ATOM 0 HG23 THR A 8 0.973 7.250 -16.547 1.00 20.00 H new ATOM 114 N THR A 9 -2.699 8.853 -14.979 1.00 20.00 N ATOM 115 CA THR A 9 -4.118 9.029 -14.551 1.00 20.00 C ATOM 116 C THR A 9 -4.425 8.139 -13.331 1.00 20.00 C ATOM 117 O THR A 9 -4.775 8.639 -12.282 1.00 20.00 O ATOM 118 CB THR A 9 -5.096 8.644 -15.703 1.00 20.00 C ATOM 119 OG1 THR A 9 -4.733 7.333 -16.114 1.00 20.00 O ATOM 120 CG2 THR A 9 -4.922 9.495 -16.965 1.00 20.00 C ATOM 0 H THR A 9 -2.302 7.943 -14.747 1.00 20.00 H new ATOM 0 HA THR A 9 -4.256 10.078 -14.291 1.00 20.00 H new ATOM 0 HB THR A 9 -6.110 8.766 -15.322 1.00 20.00 H new ATOM 0 HG1 THR A 9 -5.323 7.043 -16.840 1.00 20.00 H new ATOM 0 HG21 THR A 9 -5.635 9.171 -17.723 1.00 20.00 H new ATOM 0 HG22 THR A 9 -5.099 10.543 -16.724 1.00 20.00 H new ATOM 0 HG23 THR A 9 -3.908 9.377 -17.346 1.00 20.00 H new ATOM 128 N SER A 10 -4.279 6.847 -13.496 1.00 20.00 N ATOM 129 CA SER A 10 -4.549 5.882 -12.381 1.00 20.00 C ATOM 130 C SER A 10 -4.255 4.441 -12.819 1.00 20.00 C ATOM 131 O SER A 10 -3.900 3.598 -12.017 1.00 20.00 O ATOM 132 CB SER A 10 -6.016 5.957 -11.958 1.00 20.00 C ATOM 133 OG SER A 10 -6.728 5.726 -13.166 1.00 20.00 O ATOM 0 H SER A 10 -3.980 6.413 -14.369 1.00 20.00 H new ATOM 0 HA SER A 10 -3.899 6.154 -11.549 1.00 20.00 H new ATOM 0 HB2 SER A 10 -6.254 5.207 -11.204 1.00 20.00 H new ATOM 0 HB3 SER A 10 -6.260 6.929 -11.529 1.00 20.00 H new ATOM 0 HG SER A 10 -7.691 5.755 -12.988 1.00 20.00 H new ATOM 139 N LYS A 11 -4.418 4.198 -14.093 1.00 20.00 N ATOM 140 CA LYS A 11 -4.164 2.842 -14.667 1.00 20.00 C ATOM 141 C LYS A 11 -2.816 2.293 -14.179 1.00 20.00 C ATOM 142 O LYS A 11 -2.634 1.103 -14.009 1.00 20.00 O ATOM 143 CB LYS A 11 -4.147 2.954 -16.192 1.00 20.00 C ATOM 144 CG LYS A 11 -5.530 3.350 -16.729 1.00 20.00 C ATOM 145 CD LYS A 11 -5.374 3.668 -18.230 1.00 20.00 C ATOM 146 CE LYS A 11 -6.745 3.887 -18.889 1.00 20.00 C ATOM 147 NZ LYS A 11 -7.494 2.599 -18.936 1.00 20.00 N ATOM 0 H LYS A 11 -4.722 4.895 -14.773 1.00 20.00 H new ATOM 0 HA LYS A 11 -4.951 2.160 -14.344 1.00 20.00 H new ATOM 0 HB2 LYS A 11 -3.408 3.695 -16.498 1.00 20.00 H new ATOM 0 HB3 LYS A 11 -3.843 2.002 -16.627 1.00 20.00 H new ATOM 0 HG2 LYS A 11 -6.244 2.540 -16.581 1.00 20.00 H new ATOM 0 HG3 LYS A 11 -5.915 4.217 -16.192 1.00 20.00 H new ATOM 0 HD2 LYS A 11 -4.759 4.559 -18.355 1.00 20.00 H new ATOM 0 HD3 LYS A 11 -4.854 2.849 -18.727 1.00 20.00 H new ATOM 0 HE2 LYS A 11 -7.314 4.629 -18.328 1.00 20.00 H new ATOM 0 HE3 LYS A 11 -6.615 4.280 -19.897 1.00 20.00 H new ATOM 0 HZ1 LYS A 11 -8.273 2.675 -19.620 1.00 20.00 H new ATOM 0 HZ2 LYS A 11 -6.852 1.834 -19.227 1.00 20.00 H new ATOM 0 HZ3 LYS A 11 -7.880 2.387 -17.994 1.00 20.00 H new ATOM 161 N GLU A 12 -1.909 3.208 -13.964 1.00 20.00 N ATOM 162 CA GLU A 12 -0.553 2.828 -13.493 1.00 20.00 C ATOM 163 C GLU A 12 -0.620 2.163 -12.123 1.00 20.00 C ATOM 164 O GLU A 12 -0.243 1.015 -11.980 1.00 20.00 O ATOM 165 CB GLU A 12 0.279 4.119 -13.477 1.00 20.00 C ATOM 166 CG GLU A 12 1.729 3.841 -13.095 1.00 20.00 C ATOM 167 CD GLU A 12 2.370 2.894 -14.114 1.00 20.00 C ATOM 168 OE1 GLU A 12 2.538 3.346 -15.233 1.00 20.00 O ATOM 169 OE2 GLU A 12 2.652 1.778 -13.710 1.00 20.00 O ATOM 0 H GLU A 12 -2.054 4.209 -14.097 1.00 20.00 H new ATOM 0 HA GLU A 12 -0.091 2.093 -14.152 1.00 20.00 H new ATOM 0 HB2 GLU A 12 0.244 4.589 -14.460 1.00 20.00 H new ATOM 0 HB3 GLU A 12 -0.156 4.826 -12.770 1.00 20.00 H new ATOM 0 HG2 GLU A 12 2.288 4.776 -13.054 1.00 20.00 H new ATOM 0 HG3 GLU A 12 1.773 3.400 -12.099 1.00 20.00 H new ATOM 176 N CYS A 13 -1.097 2.879 -11.144 1.00 20.00 N ATOM 177 CA CYS A 13 -1.181 2.251 -9.797 1.00 20.00 C ATOM 178 C CYS A 13 -1.845 0.899 -9.739 1.00 20.00 C ATOM 179 O CYS A 13 -1.434 0.075 -8.955 1.00 20.00 O ATOM 180 CB CYS A 13 -1.944 3.140 -8.832 1.00 20.00 C ATOM 181 SG CYS A 13 -1.071 3.765 -7.387 1.00 20.00 S ATOM 0 H CYS A 13 -1.423 3.843 -11.212 1.00 20.00 H new ATOM 0 HA CYS A 13 -0.134 2.120 -9.525 1.00 20.00 H new ATOM 0 HB2 CYS A 13 -2.318 3.997 -9.392 1.00 20.00 H new ATOM 0 HB3 CYS A 13 -2.813 2.584 -8.482 1.00 20.00 H new ATOM 186 N TRP A 14 -2.832 0.677 -10.551 1.00 20.00 N ATOM 187 CA TRP A 14 -3.492 -0.659 -10.486 1.00 20.00 C ATOM 188 C TRP A 14 -2.499 -1.824 -10.642 1.00 20.00 C ATOM 189 O TRP A 14 -2.245 -2.546 -9.698 1.00 20.00 O ATOM 190 CB TRP A 14 -4.549 -0.714 -11.583 1.00 20.00 C ATOM 191 CG TRP A 14 -5.731 0.215 -11.242 1.00 20.00 C ATOM 192 CD1 TRP A 14 -5.766 1.195 -10.291 1.00 20.00 C ATOM 193 CD2 TRP A 14 -6.932 0.170 -11.854 1.00 20.00 C ATOM 194 NE1 TRP A 14 -6.991 1.672 -10.402 1.00 20.00 N ATOM 195 CE2 TRP A 14 -7.773 1.120 -11.317 1.00 20.00 C ATOM 196 CE3 TRP A 14 -7.380 -0.644 -12.874 1.00 20.00 C ATOM 197 CZ2 TRP A 14 -9.061 1.257 -11.790 1.00 20.00 C ATOM 198 CZ3 TRP A 14 -8.670 -0.512 -13.348 1.00 20.00 C ATOM 199 CH2 TRP A 14 -9.510 0.439 -12.805 1.00 20.00 C ATOM 0 H TRP A 14 -3.205 1.334 -11.237 1.00 20.00 H new ATOM 0 HA TRP A 14 -3.942 -0.776 -9.500 1.00 20.00 H new ATOM 0 HB2 TRP A 14 -4.109 -0.418 -12.535 1.00 20.00 H new ATOM 0 HB3 TRP A 14 -4.906 -1.737 -11.701 1.00 20.00 H new ATOM 0 HD1 TRP A 14 -4.983 1.504 -9.614 1.00 20.00 H new ATOM 0 HE1 TRP A 14 -7.321 2.433 -9.809 1.00 20.00 H new ATOM 0 HE3 TRP A 14 -6.721 -1.385 -13.302 1.00 20.00 H new ATOM 0 HZ2 TRP A 14 -9.717 2.003 -11.366 1.00 20.00 H new ATOM 0 HZ3 TRP A 14 -9.022 -1.153 -14.143 1.00 20.00 H new ATOM 0 HH2 TRP A 14 -10.519 0.542 -13.175 1.00 20.00 H new ATOM 210 N SER A 15 -1.955 -1.973 -11.821 1.00 20.00 N ATOM 211 CA SER A 15 -0.981 -3.083 -12.063 1.00 20.00 C ATOM 212 C SER A 15 0.157 -3.086 -11.026 1.00 20.00 C ATOM 213 O SER A 15 0.503 -4.113 -10.477 1.00 20.00 O ATOM 214 CB SER A 15 -0.396 -2.918 -13.474 1.00 20.00 C ATOM 215 OG SER A 15 -1.533 -2.896 -14.327 1.00 20.00 O ATOM 0 H SER A 15 -2.141 -1.376 -12.627 1.00 20.00 H new ATOM 0 HA SER A 15 -1.507 -4.033 -11.970 1.00 20.00 H new ATOM 0 HB2 SER A 15 0.183 -1.998 -13.559 1.00 20.00 H new ATOM 0 HB3 SER A 15 0.274 -3.740 -13.725 1.00 20.00 H new ATOM 0 HG SER A 15 -1.242 -2.790 -15.257 1.00 20.00 H new ATOM 221 N VAL A 16 0.703 -1.926 -10.772 1.00 20.00 N ATOM 222 CA VAL A 16 1.819 -1.821 -9.784 1.00 20.00 C ATOM 223 C VAL A 16 1.424 -2.373 -8.408 1.00 20.00 C ATOM 224 O VAL A 16 2.052 -3.277 -7.893 1.00 20.00 O ATOM 225 CB VAL A 16 2.217 -0.341 -9.665 1.00 20.00 C ATOM 226 CG1 VAL A 16 3.375 -0.207 -8.665 1.00 20.00 C ATOM 227 CG2 VAL A 16 2.704 0.176 -11.019 1.00 20.00 C ATOM 0 H VAL A 16 0.425 -1.046 -11.206 1.00 20.00 H new ATOM 0 HA VAL A 16 2.658 -2.421 -10.136 1.00 20.00 H new ATOM 0 HB VAL A 16 1.351 0.231 -9.333 1.00 20.00 H new ATOM 0 HG11 VAL A 16 3.661 0.841 -8.577 1.00 20.00 H new ATOM 0 HG12 VAL A 16 3.059 -0.580 -7.691 1.00 20.00 H new ATOM 0 HG13 VAL A 16 4.228 -0.787 -9.016 1.00 20.00 H new ATOM 0 HG21 VAL A 16 2.985 1.225 -10.928 1.00 20.00 H new ATOM 0 HG22 VAL A 16 3.569 -0.404 -11.340 1.00 20.00 H new ATOM 0 HG23 VAL A 16 1.906 0.076 -11.755 1.00 20.00 H new ATOM 237 N CYS A 17 0.386 -1.811 -7.858 1.00 20.00 N ATOM 238 CA CYS A 17 -0.110 -2.241 -6.523 1.00 20.00 C ATOM 239 C CYS A 17 -0.284 -3.750 -6.446 1.00 20.00 C ATOM 240 O CYS A 17 0.205 -4.388 -5.536 1.00 20.00 O ATOM 241 CB CYS A 17 -1.444 -1.548 -6.266 1.00 20.00 C ATOM 242 SG CYS A 17 -1.410 0.259 -6.241 1.00 20.00 S ATOM 0 H CYS A 17 -0.150 -1.056 -8.287 1.00 20.00 H new ATOM 0 HA CYS A 17 0.623 -1.963 -5.765 1.00 20.00 H new ATOM 0 HB2 CYS A 17 -2.150 -1.867 -7.033 1.00 20.00 H new ATOM 0 HB3 CYS A 17 -1.833 -1.897 -5.310 1.00 20.00 H new ATOM 247 N GLN A 18 -0.975 -4.267 -7.419 1.00 20.00 N ATOM 248 CA GLN A 18 -1.224 -5.730 -7.465 1.00 20.00 C ATOM 249 C GLN A 18 0.058 -6.570 -7.459 1.00 20.00 C ATOM 250 O GLN A 18 0.184 -7.510 -6.702 1.00 20.00 O ATOM 251 CB GLN A 18 -2.042 -6.021 -8.729 1.00 20.00 C ATOM 252 CG GLN A 18 -3.405 -5.326 -8.604 1.00 20.00 C ATOM 253 CD GLN A 18 -4.199 -5.444 -9.911 1.00 20.00 C ATOM 254 OE1 GLN A 18 -4.560 -6.517 -10.350 1.00 20.00 O ATOM 255 NE2 GLN A 18 -4.491 -4.351 -10.561 1.00 20.00 N ATOM 0 H GLN A 18 -1.380 -3.735 -8.189 1.00 20.00 H new ATOM 0 HA GLN A 18 -1.763 -6.013 -6.561 1.00 20.00 H new ATOM 0 HB2 GLN A 18 -1.514 -5.661 -9.612 1.00 20.00 H new ATOM 0 HB3 GLN A 18 -2.176 -7.096 -8.853 1.00 20.00 H new ATOM 0 HG2 GLN A 18 -3.972 -5.772 -7.787 1.00 20.00 H new ATOM 0 HG3 GLN A 18 -3.261 -4.275 -8.355 1.00 20.00 H new ATOM 0 HE21 GLN A 18 -4.191 -3.446 -10.198 1.00 20.00 H new ATOM 0 HE22 GLN A 18 -5.019 -4.401 -11.432 1.00 20.00 H new ATOM 264 N ARG A 19 0.985 -6.219 -8.305 1.00 20.00 N ATOM 265 CA ARG A 19 2.261 -6.989 -8.363 1.00 20.00 C ATOM 266 C ARG A 19 3.156 -6.838 -7.118 1.00 20.00 C ATOM 267 O ARG A 19 3.678 -7.808 -6.606 1.00 20.00 O ATOM 268 CB ARG A 19 3.045 -6.529 -9.596 1.00 20.00 C ATOM 269 CG ARG A 19 4.115 -7.581 -9.926 1.00 20.00 C ATOM 270 CD ARG A 19 5.064 -7.028 -10.991 1.00 20.00 C ATOM 271 NE ARG A 19 4.249 -6.485 -12.111 1.00 20.00 N ATOM 272 CZ ARG A 19 4.837 -5.910 -13.122 1.00 20.00 C ATOM 273 NH1 ARG A 19 6.140 -5.818 -13.140 1.00 20.00 N ATOM 274 NH2 ARG A 19 4.090 -5.443 -14.085 1.00 20.00 N ATOM 0 H ARG A 19 0.917 -5.437 -8.956 1.00 20.00 H new ATOM 0 HA ARG A 19 1.988 -8.043 -8.411 1.00 20.00 H new ATOM 0 HB2 ARG A 19 2.372 -6.397 -10.443 1.00 20.00 H new ATOM 0 HB3 ARG A 19 3.512 -5.563 -9.407 1.00 20.00 H new ATOM 0 HG2 ARG A 19 4.673 -7.842 -9.027 1.00 20.00 H new ATOM 0 HG3 ARG A 19 3.643 -8.496 -10.284 1.00 20.00 H new ATOM 0 HD2 ARG A 19 5.695 -6.246 -10.568 1.00 20.00 H new ATOM 0 HD3 ARG A 19 5.728 -7.813 -11.352 1.00 20.00 H new ATOM 0 HE ARG A 19 3.232 -6.563 -12.088 1.00 20.00 H new ATOM 0 HH11 ARG A 19 6.689 -6.195 -12.367 1.00 20.00 H new ATOM 0 HH12 ARG A 19 6.609 -5.370 -13.927 1.00 20.00 H new ATOM 0 HH21 ARG A 19 3.075 -5.533 -14.033 1.00 20.00 H new ATOM 0 HH22 ARG A 19 4.521 -4.988 -14.890 1.00 20.00 H new ATOM 288 N LEU A 20 3.310 -5.622 -6.665 1.00 20.00 N ATOM 289 CA LEU A 20 4.160 -5.344 -5.466 1.00 20.00 C ATOM 290 C LEU A 20 3.604 -5.776 -4.102 1.00 20.00 C ATOM 291 O LEU A 20 4.346 -6.340 -3.319 1.00 20.00 O ATOM 292 CB LEU A 20 4.458 -3.818 -5.399 1.00 20.00 C ATOM 293 CG LEU A 20 5.678 -3.406 -6.260 1.00 20.00 C ATOM 294 CD1 LEU A 20 5.475 -3.785 -7.729 1.00 20.00 C ATOM 295 CD2 LEU A 20 5.857 -1.873 -6.193 1.00 20.00 C ATOM 0 H LEU A 20 2.877 -4.797 -7.080 1.00 20.00 H new ATOM 0 HA LEU A 20 5.046 -5.959 -5.622 1.00 20.00 H new ATOM 0 HB2 LEU A 20 3.580 -3.266 -5.734 1.00 20.00 H new ATOM 0 HB3 LEU A 20 4.638 -3.533 -4.362 1.00 20.00 H new ATOM 0 HG LEU A 20 6.552 -3.926 -5.868 1.00 20.00 H new ATOM 0 HD11 LEU A 20 6.348 -3.483 -8.307 1.00 20.00 H new ATOM 0 HD12 LEU A 20 5.341 -4.864 -7.811 1.00 20.00 H new ATOM 0 HD13 LEU A 20 4.591 -3.279 -8.116 1.00 20.00 H new ATOM 0 HD21 LEU A 20 6.715 -1.580 -6.798 1.00 20.00 H new ATOM 0 HD22 LEU A 20 4.960 -1.385 -6.575 1.00 20.00 H new ATOM 0 HD23 LEU A 20 6.022 -1.571 -5.159 1.00 20.00 H new ATOM 307 N HIS A 21 2.344 -5.526 -3.834 1.00 20.00 N ATOM 308 CA HIS A 21 1.776 -5.923 -2.500 1.00 20.00 C ATOM 309 C HIS A 21 0.467 -6.743 -2.587 1.00 20.00 C ATOM 310 O HIS A 21 -0.161 -6.976 -1.572 1.00 20.00 O ATOM 311 CB HIS A 21 1.527 -4.628 -1.695 1.00 20.00 C ATOM 312 CG HIS A 21 2.756 -3.715 -1.810 1.00 20.00 C ATOM 313 ND1 HIS A 21 3.977 -4.100 -1.642 1.00 20.00 N ATOM 314 CD2 HIS A 21 2.865 -2.364 -2.107 1.00 20.00 C ATOM 315 CE1 HIS A 21 4.783 -3.102 -1.814 1.00 20.00 C ATOM 316 NE2 HIS A 21 4.133 -2.003 -2.105 1.00 20.00 N ATOM 0 H HIS A 21 1.690 -5.070 -4.470 1.00 20.00 H new ATOM 0 HA HIS A 21 2.498 -6.580 -2.015 1.00 20.00 H new ATOM 0 HB2 HIS A 21 0.642 -4.116 -2.073 1.00 20.00 H new ATOM 0 HB3 HIS A 21 1.334 -4.868 -0.649 1.00 20.00 H new ATOM 0 HD1 HIS A 21 4.264 -5.050 -1.408 1.00 20.00 H new ATOM 0 HD2 HIS A 21 2.034 -1.705 -2.310 1.00 20.00 H new ATOM 0 HE1 HIS A 21 5.858 -3.167 -1.728 1.00 20.00 H new ATOM 324 N ASN A 22 0.095 -7.154 -3.773 1.00 20.00 N ATOM 325 CA ASN A 22 -1.161 -7.957 -3.980 1.00 20.00 C ATOM 326 C ASN A 22 -2.375 -7.305 -3.316 1.00 20.00 C ATOM 327 O ASN A 22 -2.821 -7.678 -2.249 1.00 20.00 O ATOM 328 CB ASN A 22 -0.963 -9.386 -3.419 1.00 20.00 C ATOM 329 CG ASN A 22 -2.227 -10.229 -3.679 1.00 20.00 C ATOM 330 OD1 ASN A 22 -3.026 -10.469 -2.794 1.00 20.00 O ATOM 331 ND2 ASN A 22 -2.449 -10.700 -4.876 1.00 20.00 N ATOM 0 H ASN A 22 0.617 -6.965 -4.628 1.00 20.00 H new ATOM 0 HA ASN A 22 -1.355 -7.999 -5.052 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -0.099 -9.855 -3.890 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -0.758 -9.341 -2.349 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -3.282 -11.260 -5.057 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -1.789 -10.508 -5.630 1.00 20.00 H new ATOM 338 N THR A 23 -2.859 -6.318 -4.016 1.00 20.00 N ATOM 339 CA THR A 23 -4.045 -5.540 -3.559 1.00 20.00 C ATOM 340 C THR A 23 -4.999 -5.357 -4.738 1.00 20.00 C ATOM 341 O THR A 23 -4.974 -6.114 -5.688 1.00 20.00 O ATOM 342 CB THR A 23 -3.586 -4.175 -3.064 1.00 20.00 C ATOM 343 OG1 THR A 23 -2.910 -3.637 -4.188 1.00 20.00 O ATOM 344 CG2 THR A 23 -2.498 -4.294 -2.011 1.00 20.00 C ATOM 0 H THR A 23 -2.472 -6.010 -4.908 1.00 20.00 H new ATOM 0 HA THR A 23 -4.551 -6.069 -2.752 1.00 20.00 H new ATOM 0 HB THR A 23 -4.429 -3.612 -2.663 1.00 20.00 H new ATOM 0 HG1 THR A 23 -3.507 -3.025 -4.667 1.00 20.00 H new ATOM 0 HG21 THR A 23 -2.198 -3.299 -1.684 1.00 20.00 H new ATOM 0 HG22 THR A 23 -2.877 -4.857 -1.158 1.00 20.00 H new ATOM 0 HG23 THR A 23 -1.637 -4.812 -2.434 1.00 20.00 H new ATOM 352 N SER A 24 -5.818 -4.347 -4.633 1.00 20.00 N ATOM 353 CA SER A 24 -6.800 -4.054 -5.722 1.00 20.00 C ATOM 354 C SER A 24 -7.111 -2.562 -5.800 1.00 20.00 C ATOM 355 O SER A 24 -7.214 -2.003 -6.873 1.00 20.00 O ATOM 356 CB SER A 24 -8.128 -4.767 -5.472 1.00 20.00 C ATOM 357 OG SER A 24 -7.835 -6.154 -5.516 1.00 20.00 O ATOM 0 H SER A 24 -5.852 -3.708 -3.838 1.00 20.00 H new ATOM 0 HA SER A 24 -6.342 -4.401 -6.648 1.00 20.00 H new ATOM 0 HB2 SER A 24 -8.547 -4.486 -4.506 1.00 20.00 H new ATOM 0 HB3 SER A 24 -8.865 -4.499 -6.229 1.00 20.00 H new ATOM 0 HG SER A 24 -8.655 -6.667 -5.359 1.00 20.00 H new ATOM 363 N ARG A 25 -7.252 -1.956 -4.652 1.00 20.00 N ATOM 364 CA ARG A 25 -7.564 -0.504 -4.628 1.00 20.00 C ATOM 365 C ARG A 25 -6.276 0.317 -4.758 1.00 20.00 C ATOM 366 O ARG A 25 -5.469 0.375 -3.854 1.00 20.00 O ATOM 367 CB ARG A 25 -8.264 -0.186 -3.310 1.00 20.00 C ATOM 368 CG ARG A 25 -9.097 1.088 -3.486 1.00 20.00 C ATOM 369 CD ARG A 25 -10.475 0.702 -4.073 1.00 20.00 C ATOM 370 NE ARG A 25 -11.226 -0.046 -3.020 1.00 20.00 N ATOM 371 CZ ARG A 25 -12.449 -0.470 -3.219 1.00 20.00 C ATOM 372 NH1 ARG A 25 -13.052 -0.251 -4.358 1.00 20.00 N ATOM 373 NH2 ARG A 25 -13.038 -1.112 -2.244 1.00 20.00 N ATOM 0 H ARG A 25 -7.165 -2.402 -3.739 1.00 20.00 H new ATOM 0 HA ARG A 25 -8.213 -0.248 -5.465 1.00 20.00 H new ATOM 0 HB2 ARG A 25 -8.904 -1.017 -3.013 1.00 20.00 H new ATOM 0 HB3 ARG A 25 -7.530 -0.050 -2.516 1.00 20.00 H new ATOM 0 HG2 ARG A 25 -9.222 1.593 -2.528 1.00 20.00 H new ATOM 0 HG3 ARG A 25 -8.586 1.785 -4.149 1.00 20.00 H new ATOM 0 HD2 ARG A 25 -11.025 1.593 -4.374 1.00 20.00 H new ATOM 0 HD3 ARG A 25 -10.352 0.087 -4.964 1.00 20.00 H new ATOM 0 HE ARG A 25 -10.775 -0.231 -2.124 1.00 20.00 H new ATOM 0 HH11 ARG A 25 -12.570 0.254 -5.101 1.00 20.00 H new ATOM 0 HH12 ARG A 25 -14.005 -0.585 -4.503 1.00 20.00 H new ATOM 0 HH21 ARG A 25 -12.545 -1.268 -1.365 1.00 20.00 H new ATOM 0 HH22 ARG A 25 -13.991 -1.457 -2.363 1.00 20.00 H new ATOM 387 N GLY A 26 -6.120 0.939 -5.890 1.00 20.00 N ATOM 388 CA GLY A 26 -4.905 1.767 -6.127 1.00 20.00 C ATOM 389 C GLY A 26 -5.370 3.046 -6.802 1.00 20.00 C ATOM 390 O GLY A 26 -6.335 3.038 -7.539 1.00 20.00 O ATOM 0 H GLY A 26 -6.783 0.911 -6.665 1.00 20.00 H new ATOM 0 HA2 GLY A 26 -4.399 1.988 -5.187 1.00 20.00 H new ATOM 0 HA3 GLY A 26 -4.191 1.235 -6.756 1.00 20.00 H new ATOM 394 N LYS A 27 -4.674 4.115 -6.540 1.00 20.00 N ATOM 395 CA LYS A 27 -5.064 5.412 -7.159 1.00 20.00 C ATOM 396 C LYS A 27 -3.848 6.319 -7.190 1.00 20.00 C ATOM 397 O LYS A 27 -2.782 5.909 -6.786 1.00 20.00 O ATOM 398 CB LYS A 27 -6.185 6.026 -6.323 1.00 20.00 C ATOM 399 CG LYS A 27 -5.692 6.198 -4.874 1.00 20.00 C ATOM 400 CD LYS A 27 -6.849 6.636 -3.966 1.00 20.00 C ATOM 401 CE LYS A 27 -7.910 5.522 -3.899 1.00 20.00 C ATOM 402 NZ LYS A 27 -8.995 5.913 -2.958 1.00 20.00 N ATOM 0 H LYS A 27 -3.858 4.148 -5.929 1.00 20.00 H new ATOM 0 HA LYS A 27 -5.421 5.273 -8.180 1.00 20.00 H new ATOM 0 HB2 LYS A 27 -6.479 6.990 -6.738 1.00 20.00 H new ATOM 0 HB3 LYS A 27 -7.067 5.386 -6.347 1.00 20.00 H new ATOM 0 HG2 LYS A 27 -5.272 5.260 -4.512 1.00 20.00 H new ATOM 0 HG3 LYS A 27 -4.893 6.939 -4.840 1.00 20.00 H new ATOM 0 HD2 LYS A 27 -6.475 6.856 -2.966 1.00 20.00 H new ATOM 0 HD3 LYS A 27 -7.296 7.554 -4.348 1.00 20.00 H new ATOM 0 HE2 LYS A 27 -8.324 5.342 -4.891 1.00 20.00 H new ATOM 0 HE3 LYS A 27 -7.451 4.589 -3.571 1.00 20.00 H new ATOM 0 HZ1 LYS A 27 -9.708 5.157 -2.917 1.00 20.00 H new ATOM 0 HZ2 LYS A 27 -8.595 6.063 -2.010 1.00 20.00 H new ATOM 0 HZ3 LYS A 27 -9.441 6.792 -3.289 1.00 20.00 H new ATOM 416 N CYS A 28 -4.010 7.527 -7.654 1.00 20.00 N ATOM 417 CA CYS A 28 -2.816 8.412 -7.692 1.00 20.00 C ATOM 418 C CYS A 28 -3.077 9.917 -7.618 1.00 20.00 C ATOM 419 O CYS A 28 -4.014 10.446 -8.183 1.00 20.00 O ATOM 420 CB CYS A 28 -2.070 8.059 -8.971 1.00 20.00 C ATOM 421 SG CYS A 28 -0.774 9.166 -9.565 1.00 20.00 S ATOM 0 H CYS A 28 -4.883 7.928 -7.996 1.00 20.00 H new ATOM 0 HA CYS A 28 -2.243 8.226 -6.784 1.00 20.00 H new ATOM 0 HB2 CYS A 28 -1.622 7.075 -8.830 1.00 20.00 H new ATOM 0 HB3 CYS A 28 -2.809 7.962 -9.766 1.00 20.00 H new ATOM 426 N MET A 29 -2.183 10.536 -6.896 1.00 20.00 N ATOM 427 CA MET A 29 -2.204 12.002 -6.670 1.00 20.00 C ATOM 428 C MET A 29 -1.272 12.535 -7.755 1.00 20.00 C ATOM 429 O MET A 29 -0.368 11.826 -8.163 1.00 20.00 O ATOM 430 CB MET A 29 -1.682 12.251 -5.253 1.00 20.00 C ATOM 431 CG MET A 29 -1.533 13.741 -4.965 1.00 20.00 C ATOM 432 SD MET A 29 -1.043 14.198 -3.283 1.00 20.00 S ATOM 433 CE MET A 29 -2.708 14.452 -2.620 1.00 20.00 C ATOM 0 H MET A 29 -1.407 10.060 -6.436 1.00 20.00 H new ATOM 0 HA MET A 29 -3.180 12.483 -6.733 1.00 20.00 H new ATOM 0 HB2 MET A 29 -2.365 11.806 -4.529 1.00 20.00 H new ATOM 0 HB3 MET A 29 -0.718 11.757 -5.127 1.00 20.00 H new ATOM 0 HG2 MET A 29 -0.797 14.149 -5.657 1.00 20.00 H new ATOM 0 HG3 MET A 29 -2.483 14.227 -5.187 1.00 20.00 H new ATOM 0 HE1 MET A 29 -2.642 14.746 -1.573 1.00 20.00 H new ATOM 0 HE2 MET A 29 -3.209 15.237 -3.186 1.00 20.00 H new ATOM 0 HE3 MET A 29 -3.277 13.526 -2.701 1.00 20.00 H new ATOM 443 N ASN A 30 -1.512 13.755 -8.161 1.00 20.00 N ATOM 444 CA ASN A 30 -0.692 14.412 -9.227 1.00 20.00 C ATOM 445 C ASN A 30 0.796 14.171 -9.000 1.00 20.00 C ATOM 446 O ASN A 30 1.578 14.115 -9.927 1.00 20.00 O ATOM 447 CB ASN A 30 -0.969 15.915 -9.213 1.00 20.00 C ATOM 448 CG ASN A 30 -2.463 16.186 -9.423 1.00 20.00 C ATOM 449 OD1 ASN A 30 -3.316 15.685 -8.718 1.00 20.00 O ATOM 450 ND2 ASN A 30 -2.821 16.982 -10.392 1.00 20.00 N ATOM 0 H ASN A 30 -2.261 14.339 -7.789 1.00 20.00 H new ATOM 0 HA ASN A 30 -0.966 13.984 -10.191 1.00 20.00 H new ATOM 0 HB2 ASN A 30 -0.646 16.342 -8.264 1.00 20.00 H new ATOM 0 HB3 ASN A 30 -0.391 16.405 -9.996 1.00 20.00 H new ATOM 0 HD21 ASN A 30 -3.809 17.179 -10.552 1.00 20.00 H new ATOM 0 HD22 ASN A 30 -2.113 17.408 -10.990 1.00 20.00 H new ATOM 457 N LYS A 31 1.140 14.034 -7.753 1.00 20.00 N ATOM 458 CA LYS A 31 2.556 13.789 -7.408 1.00 20.00 C ATOM 459 C LYS A 31 2.906 12.313 -7.678 1.00 20.00 C ATOM 460 O LYS A 31 3.868 12.047 -8.367 1.00 20.00 O ATOM 461 CB LYS A 31 2.752 14.139 -5.926 1.00 20.00 C ATOM 462 CG LYS A 31 2.560 15.663 -5.731 1.00 20.00 C ATOM 463 CD LYS A 31 2.709 16.012 -4.240 1.00 20.00 C ATOM 464 CE LYS A 31 2.580 17.541 -4.058 1.00 20.00 C ATOM 465 NZ LYS A 31 2.662 17.911 -2.614 1.00 20.00 N ATOM 0 H LYS A 31 0.499 14.082 -6.961 1.00 20.00 H new ATOM 0 HA LYS A 31 3.216 14.406 -8.017 1.00 20.00 H new ATOM 0 HB2 LYS A 31 2.038 13.589 -5.313 1.00 20.00 H new ATOM 0 HB3 LYS A 31 3.748 13.841 -5.599 1.00 20.00 H new ATOM 0 HG2 LYS A 31 3.296 16.211 -6.319 1.00 20.00 H new ATOM 0 HG3 LYS A 31 1.576 15.965 -6.090 1.00 20.00 H new ATOM 0 HD2 LYS A 31 1.945 15.499 -3.656 1.00 20.00 H new ATOM 0 HD3 LYS A 31 3.676 15.670 -3.870 1.00 20.00 H new ATOM 0 HE2 LYS A 31 3.371 18.046 -4.613 1.00 20.00 H new ATOM 0 HE3 LYS A 31 1.631 17.883 -4.472 1.00 20.00 H new ATOM 0 HZ1 LYS A 31 2.573 18.942 -2.514 1.00 20.00 H new ATOM 0 HZ2 LYS A 31 1.893 17.445 -2.092 1.00 20.00 H new ATOM 0 HZ3 LYS A 31 3.578 17.604 -2.228 1.00 20.00 H new ATOM 479 N LYS A 32 2.132 11.390 -7.151 1.00 20.00 N ATOM 480 CA LYS A 32 2.447 9.936 -7.387 1.00 20.00 C ATOM 481 C LYS A 32 1.330 8.952 -7.048 1.00 20.00 C ATOM 482 O LYS A 32 0.351 9.261 -6.401 1.00 20.00 O ATOM 483 CB LYS A 32 3.674 9.450 -6.563 1.00 20.00 C ATOM 484 CG LYS A 32 4.982 9.504 -7.375 1.00 20.00 C ATOM 485 CD LYS A 32 5.946 10.454 -6.642 1.00 20.00 C ATOM 486 CE LYS A 32 7.149 10.749 -7.535 1.00 20.00 C ATOM 487 NZ LYS A 32 6.676 11.433 -8.771 1.00 20.00 N ATOM 0 H LYS A 32 1.309 11.573 -6.577 1.00 20.00 H new ATOM 0 HA LYS A 32 2.627 9.926 -8.462 1.00 20.00 H new ATOM 0 HB2 LYS A 32 3.777 10.067 -5.671 1.00 20.00 H new ATOM 0 HB3 LYS A 32 3.500 8.428 -6.225 1.00 20.00 H new ATOM 0 HG2 LYS A 32 5.419 8.509 -7.464 1.00 20.00 H new ATOM 0 HG3 LYS A 32 4.790 9.860 -8.387 1.00 20.00 H new ATOM 0 HD2 LYS A 32 5.434 11.382 -6.385 1.00 20.00 H new ATOM 0 HD3 LYS A 32 6.276 10.003 -5.706 1.00 20.00 H new ATOM 0 HE2 LYS A 32 7.865 11.378 -7.007 1.00 20.00 H new ATOM 0 HE3 LYS A 32 7.665 9.823 -7.790 1.00 20.00 H new ATOM 0 HZ1 LYS A 32 6.960 10.879 -9.604 1.00 20.00 H new ATOM 0 HZ2 LYS A 32 5.640 11.516 -8.747 1.00 20.00 H new ATOM 0 HZ3 LYS A 32 7.098 12.382 -8.826 1.00 20.00 H new ATOM 501 N CYS A 33 1.563 7.763 -7.533 1.00 20.00 N ATOM 502 CA CYS A 33 0.654 6.609 -7.346 1.00 20.00 C ATOM 503 C CYS A 33 0.872 5.977 -5.972 1.00 20.00 C ATOM 504 O CYS A 33 1.971 5.905 -5.461 1.00 20.00 O ATOM 505 CB CYS A 33 0.927 5.573 -8.452 1.00 20.00 C ATOM 506 SG CYS A 33 0.868 3.853 -7.923 1.00 20.00 S ATOM 0 H CYS A 33 2.395 7.541 -8.080 1.00 20.00 H new ATOM 0 HA CYS A 33 -0.380 6.949 -7.407 1.00 20.00 H new ATOM 0 HB2 CYS A 33 0.198 5.716 -9.250 1.00 20.00 H new ATOM 0 HB3 CYS A 33 1.910 5.772 -8.879 1.00 20.00 H new ATOM 511 N ARG A 34 -0.220 5.534 -5.411 1.00 20.00 N ATOM 512 CA ARG A 34 -0.178 4.889 -4.076 1.00 20.00 C ATOM 513 C ARG A 34 -1.259 3.818 -4.020 1.00 20.00 C ATOM 514 O ARG A 34 -2.225 3.868 -4.755 1.00 20.00 O ATOM 515 CB ARG A 34 -0.413 5.946 -3.004 1.00 20.00 C ATOM 516 CG ARG A 34 -1.665 6.771 -3.325 1.00 20.00 C ATOM 517 CD ARG A 34 -1.906 7.752 -2.167 1.00 20.00 C ATOM 518 NE ARG A 34 -0.680 8.586 -2.004 1.00 20.00 N ATOM 519 CZ ARG A 34 -0.548 9.386 -0.978 1.00 20.00 C ATOM 520 NH1 ARG A 34 -1.493 9.462 -0.080 1.00 20.00 N ATOM 521 NH2 ARG A 34 0.546 10.093 -0.881 1.00 20.00 N ATOM 0 H ARG A 34 -1.148 5.594 -5.829 1.00 20.00 H new ATOM 0 HA ARG A 34 0.793 4.426 -3.902 1.00 20.00 H new ATOM 0 HB2 ARG A 34 -0.526 5.467 -2.032 1.00 20.00 H new ATOM 0 HB3 ARG A 34 0.454 6.603 -2.937 1.00 20.00 H new ATOM 0 HG2 ARG A 34 -1.533 7.314 -4.261 1.00 20.00 H new ATOM 0 HG3 ARG A 34 -2.528 6.117 -3.455 1.00 20.00 H new ATOM 0 HD2 ARG A 34 -2.770 8.382 -2.376 1.00 20.00 H new ATOM 0 HD3 ARG A 34 -2.122 7.209 -1.247 1.00 20.00 H new ATOM 0 HE ARG A 34 0.063 8.532 -2.700 1.00 20.00 H new ATOM 0 HH11 ARG A 34 -2.336 8.897 -0.178 1.00 20.00 H new ATOM 0 HH12 ARG A 34 -1.388 10.087 0.719 1.00 20.00 H new ATOM 0 HH21 ARG A 34 1.270 10.013 -1.595 1.00 20.00 H new ATOM 0 HH22 ARG A 34 0.676 10.725 -0.091 1.00 20.00 H new ATOM 535 N CYS A 35 -1.060 2.879 -3.138 1.00 20.00 N ATOM 536 CA CYS A 35 -2.039 1.771 -2.994 1.00 20.00 C ATOM 537 C CYS A 35 -2.646 1.735 -1.603 1.00 20.00 C ATOM 538 O CYS A 35 -2.014 2.092 -0.631 1.00 20.00 O ATOM 539 CB CYS A 35 -1.304 0.481 -3.280 1.00 20.00 C ATOM 540 SG CYS A 35 -0.170 0.561 -4.684 1.00 20.00 S ATOM 0 H CYS A 35 -0.258 2.833 -2.509 1.00 20.00 H new ATOM 0 HA CYS A 35 -2.864 1.916 -3.692 1.00 20.00 H new ATOM 0 HB2 CYS A 35 -0.742 0.193 -2.391 1.00 20.00 H new ATOM 0 HB3 CYS A 35 -2.035 -0.306 -3.464 1.00 20.00 H new