USER MOD reduce.3.24.130724 H: found=0, std=0, add=281, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 281 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 VAL N :NH3+ 155:sc= -0.0979 (180deg=-0.982) USER MOD Single : A 4 ASN : amide:sc= -1.76 K(o=-1.8,f=-10!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot -140:sc= -0.827 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.311) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.136 K(o=-0.14,f=-3.1!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.05) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -2.995 9.547 2.522 1.00 0.00 N ATOM 2 CA VAL A 1 -2.849 8.197 3.138 1.00 0.00 C ATOM 3 C VAL A 1 -1.652 7.463 2.525 1.00 0.00 C ATOM 4 O VAL A 1 -1.701 7.000 1.403 1.00 0.00 O ATOM 5 CB VAL A 1 -4.156 7.474 2.812 1.00 0.00 C ATOM 6 CG1 VAL A 1 -4.246 7.218 1.306 1.00 0.00 C ATOM 7 CG2 VAL A 1 -4.201 6.139 3.559 1.00 0.00 C ATOM 0 H1 VAL A 1 -3.984 9.859 2.601 1.00 0.00 H new ATOM 0 H2 VAL A 1 -2.378 10.223 3.016 1.00 0.00 H new ATOM 0 H3 VAL A 1 -2.725 9.502 1.519 1.00 0.00 H new ATOM 0 HA VAL A 1 -2.670 8.246 4.212 1.00 0.00 H new ATOM 0 HB VAL A 1 -4.996 8.095 3.122 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -5.179 6.703 1.080 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -4.218 8.168 0.773 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -3.405 6.600 0.991 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -5.133 5.623 3.327 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -3.358 5.521 3.251 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -4.145 6.321 4.632 1.00 0.00 H new ATOM 19 N PHE A 2 -0.573 7.354 3.251 1.00 0.00 N ATOM 20 CA PHE A 2 0.623 6.653 2.700 1.00 0.00 C ATOM 21 C PHE A 2 1.435 6.006 3.824 1.00 0.00 C ATOM 22 O PHE A 2 1.422 6.455 4.953 1.00 0.00 O ATOM 23 CB PHE A 2 1.440 7.748 2.015 1.00 0.00 C ATOM 24 CG PHE A 2 0.915 7.959 0.618 1.00 0.00 C ATOM 25 CD1 PHE A 2 -0.136 8.857 0.394 1.00 0.00 C ATOM 26 CD2 PHE A 2 1.475 7.255 -0.454 1.00 0.00 C ATOM 27 CE1 PHE A 2 -0.626 9.051 -0.902 1.00 0.00 C ATOM 28 CE2 PHE A 2 0.985 7.448 -1.750 1.00 0.00 C ATOM 29 CZ PHE A 2 -0.066 8.346 -1.975 1.00 0.00 C ATOM 0 H PHE A 2 -0.467 7.718 4.198 1.00 0.00 H new ATOM 0 HA PHE A 2 0.347 5.853 2.013 1.00 0.00 H new ATOM 0 HB2 PHE A 2 1.376 8.675 2.584 1.00 0.00 H new ATOM 0 HB3 PHE A 2 2.492 7.466 1.982 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -0.568 9.400 1.222 1.00 0.00 H new ATOM 0 HD2 PHE A 2 2.286 6.563 -0.281 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -1.436 9.744 -1.075 1.00 0.00 H new ATOM 0 HE2 PHE A 2 1.417 6.904 -2.577 1.00 0.00 H new ATOM 0 HZ PHE A 2 -0.445 8.495 -2.975 1.00 0.00 H new ATOM 39 N ILE A 3 2.150 4.956 3.521 1.00 0.00 N ATOM 40 CA ILE A 3 2.973 4.285 4.569 1.00 0.00 C ATOM 41 C ILE A 3 4.440 4.265 4.138 1.00 0.00 C ATOM 42 O ILE A 3 4.763 4.481 2.986 1.00 0.00 O ATOM 43 CB ILE A 3 2.436 2.855 4.679 1.00 0.00 C ATOM 44 CG1 ILE A 3 0.918 2.843 4.470 1.00 0.00 C ATOM 45 CG2 ILE A 3 2.757 2.298 6.068 1.00 0.00 C ATOM 46 CD1 ILE A 3 0.402 1.407 4.565 1.00 0.00 C ATOM 0 H ILE A 3 2.200 4.534 2.594 1.00 0.00 H new ATOM 0 HA ILE A 3 2.913 4.806 5.525 1.00 0.00 H new ATOM 0 HB ILE A 3 2.907 2.239 3.913 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.432 3.466 5.221 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.671 3.266 3.496 1.00 0.00 H new ATOM 0 HG21 ILE A 3 2.376 1.280 6.149 1.00 0.00 H new ATOM 0 HG22 ILE A 3 3.837 2.294 6.218 1.00 0.00 H new ATOM 0 HG23 ILE A 3 2.288 2.923 6.828 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.678 1.398 4.416 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.879 0.797 3.798 1.00 0.00 H new ATOM 0 HD13 ILE A 3 0.636 1.001 5.549 1.00 0.00 H new ATOM 58 N ASN A 4 5.331 4.005 5.053 1.00 0.00 N ATOM 59 CA ASN A 4 6.779 3.974 4.697 1.00 0.00 C ATOM 60 C ASN A 4 7.292 2.532 4.681 1.00 0.00 C ATOM 61 O ASN A 4 8.388 2.261 4.232 1.00 0.00 O ATOM 62 CB ASN A 4 7.473 4.778 5.796 1.00 0.00 C ATOM 63 CG ASN A 4 7.037 4.254 7.164 1.00 0.00 C ATOM 64 OD1 ASN A 4 6.745 3.084 7.313 1.00 0.00 O ATOM 65 ND2 ASN A 4 6.982 5.075 8.177 1.00 0.00 N ATOM 0 H ASN A 4 5.121 3.812 6.032 1.00 0.00 H new ATOM 0 HA ASN A 4 6.969 4.387 3.706 1.00 0.00 H new ATOM 0 HB2 ASN A 4 8.555 4.698 5.692 1.00 0.00 H new ATOM 0 HB3 ASN A 4 7.221 5.834 5.702 1.00 0.00 H new ATOM 0 HD21 ASN A 4 6.694 4.735 9.094 1.00 0.00 H new ATOM 0 HD22 ASN A 4 7.227 6.057 8.051 1.00 0.00 H new ATOM 72 N ALA A 5 6.511 1.604 5.165 1.00 0.00 N ATOM 73 CA ALA A 5 6.961 0.184 5.170 1.00 0.00 C ATOM 74 C ALA A 5 7.622 -0.156 3.832 1.00 0.00 C ATOM 75 O ALA A 5 6.992 -0.126 2.794 1.00 0.00 O ATOM 76 CB ALA A 5 5.686 -0.638 5.362 1.00 0.00 C ATOM 0 H ALA A 5 5.583 1.768 5.556 1.00 0.00 H new ATOM 0 HA ALA A 5 7.693 -0.017 5.952 1.00 0.00 H new ATOM 0 HB1 ALA A 5 5.936 -1.699 5.376 1.00 0.00 H new ATOM 0 HB2 ALA A 5 5.215 -0.363 6.306 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.997 -0.438 4.541 1.00 0.00 H new ATOM 82 N LYS A 6 8.888 -0.471 3.848 1.00 0.00 N ATOM 83 CA LYS A 6 9.588 -0.807 2.576 1.00 0.00 C ATOM 84 C LYS A 6 8.909 -1.996 1.892 1.00 0.00 C ATOM 85 O LYS A 6 9.361 -3.119 1.983 1.00 0.00 O ATOM 86 CB LYS A 6 11.009 -1.176 2.990 1.00 0.00 C ATOM 87 CG LYS A 6 12.010 -0.351 2.178 1.00 0.00 C ATOM 88 CD LYS A 6 13.233 -1.211 1.854 1.00 0.00 C ATOM 89 CE LYS A 6 14.508 -0.389 2.065 1.00 0.00 C ATOM 90 NZ LYS A 6 15.176 -1.016 3.239 1.00 0.00 N ATOM 0 H LYS A 6 9.468 -0.510 4.686 1.00 0.00 H new ATOM 0 HA LYS A 6 9.569 0.021 1.868 1.00 0.00 H new ATOM 0 HB2 LYS A 6 11.148 -0.990 4.055 1.00 0.00 H new ATOM 0 HB3 LYS A 6 11.182 -2.240 2.827 1.00 0.00 H new ATOM 0 HG2 LYS A 6 11.545 0.001 1.257 1.00 0.00 H new ATOM 0 HG3 LYS A 6 12.312 0.532 2.741 1.00 0.00 H new ATOM 0 HD2 LYS A 6 13.248 -2.095 2.492 1.00 0.00 H new ATOM 0 HD3 LYS A 6 13.181 -1.562 0.823 1.00 0.00 H new ATOM 0 HE2 LYS A 6 15.148 -0.419 1.183 1.00 0.00 H new ATOM 0 HE3 LYS A 6 14.276 0.659 2.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 16.059 -0.509 3.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 14.545 -0.967 4.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 15.390 -2.011 3.026 1.00 0.00 H new ATOM 104 N CYS A 7 7.829 -1.752 1.211 1.00 0.00 N ATOM 105 CA CYS A 7 7.115 -2.863 0.518 1.00 0.00 C ATOM 106 C CYS A 7 8.040 -3.519 -0.510 1.00 0.00 C ATOM 107 O CYS A 7 8.931 -2.890 -1.046 1.00 0.00 O ATOM 108 CB CYS A 7 5.929 -2.196 -0.176 1.00 0.00 C ATOM 109 SG CYS A 7 6.539 -0.958 -1.346 1.00 0.00 S ATOM 0 H CYS A 7 7.406 -0.830 1.102 1.00 0.00 H new ATOM 0 HA CYS A 7 6.796 -3.646 1.206 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.331 -2.943 -0.698 1.00 0.00 H new ATOM 0 HB3 CYS A 7 5.278 -1.726 0.562 1.00 0.00 H new ATOM 114 N ARG A 8 7.840 -4.778 -0.789 1.00 0.00 N ATOM 115 CA ARG A 8 8.715 -5.467 -1.780 1.00 0.00 C ATOM 116 C ARG A 8 7.933 -5.792 -3.054 1.00 0.00 C ATOM 117 O ARG A 8 8.504 -5.981 -4.109 1.00 0.00 O ATOM 118 CB ARG A 8 9.163 -6.754 -1.086 1.00 0.00 C ATOM 119 CG ARG A 8 10.113 -6.410 0.061 1.00 0.00 C ATOM 120 CD ARG A 8 11.258 -7.423 0.097 1.00 0.00 C ATOM 121 NE ARG A 8 12.119 -7.068 -1.064 1.00 0.00 N ATOM 122 CZ ARG A 8 13.248 -7.695 -1.256 1.00 0.00 C ATOM 123 NH1 ARG A 8 14.301 -7.371 -0.557 1.00 0.00 N ATOM 124 NH2 ARG A 8 13.323 -8.644 -2.148 1.00 0.00 N ATOM 0 H ARG A 8 7.111 -5.358 -0.375 1.00 0.00 H new ATOM 0 HA ARG A 8 9.559 -4.846 -2.080 1.00 0.00 H new ATOM 0 HB2 ARG A 8 8.297 -7.295 -0.705 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.660 -7.411 -1.800 1.00 0.00 H new ATOM 0 HG2 ARG A 8 10.509 -5.403 -0.070 1.00 0.00 H new ATOM 0 HG3 ARG A 8 9.575 -6.420 1.009 1.00 0.00 H new ATOM 0 HD2 ARG A 8 11.812 -7.360 1.034 1.00 0.00 H new ATOM 0 HD3 ARG A 8 10.885 -8.444 0.015 1.00 0.00 H new ATOM 0 HE ARG A 8 11.827 -6.335 -1.710 1.00 0.00 H new ATOM 0 HH11 ARG A 8 14.242 -6.628 0.139 1.00 0.00 H new ATOM 0 HH12 ARG A 8 15.183 -7.861 -0.707 1.00 0.00 H new ATOM 0 HH21 ARG A 8 12.500 -8.896 -2.695 1.00 0.00 H new ATOM 0 HH22 ARG A 8 14.205 -9.134 -2.298 1.00 0.00 H new ATOM 138 N GLY A 9 6.635 -5.865 -2.968 1.00 0.00 N ATOM 139 CA GLY A 9 5.833 -6.185 -4.181 1.00 0.00 C ATOM 140 C GLY A 9 4.535 -5.377 -4.180 1.00 0.00 C ATOM 141 O GLY A 9 4.026 -4.994 -3.145 1.00 0.00 O ATOM 0 H GLY A 9 6.096 -5.718 -2.114 1.00 0.00 H new ATOM 0 HA2 GLY A 9 6.410 -5.960 -5.078 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.607 -7.251 -4.206 1.00 0.00 H new ATOM 145 N SER A 10 3.996 -5.121 -5.339 1.00 0.00 N ATOM 146 CA SER A 10 2.728 -4.343 -5.430 1.00 0.00 C ATOM 147 C SER A 10 1.557 -5.110 -4.790 1.00 0.00 C ATOM 148 O SER A 10 0.811 -4.544 -4.015 1.00 0.00 O ATOM 149 CB SER A 10 2.494 -4.155 -6.930 1.00 0.00 C ATOM 150 OG SER A 10 1.212 -4.663 -7.279 1.00 0.00 O ATOM 0 H SER A 10 4.382 -5.420 -6.235 1.00 0.00 H new ATOM 0 HA SER A 10 2.795 -3.394 -4.897 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.561 -3.098 -7.189 1.00 0.00 H new ATOM 0 HB3 SER A 10 3.268 -4.672 -7.497 1.00 0.00 H new ATOM 0 HG SER A 10 1.268 -5.130 -8.139 1.00 0.00 H new ATOM 156 N PRO A 11 1.416 -6.369 -5.139 1.00 0.00 N ATOM 157 CA PRO A 11 0.307 -7.190 -4.590 1.00 0.00 C ATOM 158 C PRO A 11 0.427 -7.333 -3.070 1.00 0.00 C ATOM 159 O PRO A 11 -0.539 -7.619 -2.391 1.00 0.00 O ATOM 160 CB PRO A 11 0.501 -8.536 -5.296 1.00 0.00 C ATOM 161 CG PRO A 11 1.717 -8.431 -6.236 1.00 0.00 C ATOM 162 CD PRO A 11 2.340 -7.038 -6.085 1.00 0.00 C ATOM 0 HA PRO A 11 -0.679 -6.756 -4.758 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.657 -9.328 -4.563 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.393 -8.798 -5.862 1.00 0.00 H new ATOM 0 HG2 PRO A 11 2.450 -9.200 -5.993 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.411 -8.598 -7.269 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.355 -7.089 -5.692 1.00 0.00 H new ATOM 0 HD3 PRO A 11 2.394 -6.513 -7.039 1.00 0.00 H new ATOM 170 N GLU A 12 1.595 -7.131 -2.526 1.00 0.00 N ATOM 171 CA GLU A 12 1.752 -7.251 -1.047 1.00 0.00 C ATOM 172 C GLU A 12 1.149 -6.023 -0.360 1.00 0.00 C ATOM 173 O GLU A 12 0.550 -6.118 0.695 1.00 0.00 O ATOM 174 CB GLU A 12 3.261 -7.315 -0.809 1.00 0.00 C ATOM 175 CG GLU A 12 3.587 -8.512 0.087 1.00 0.00 C ATOM 176 CD GLU A 12 5.016 -8.382 0.617 1.00 0.00 C ATOM 177 OE1 GLU A 12 5.935 -8.610 -0.152 1.00 0.00 O ATOM 178 OE2 GLU A 12 5.167 -8.056 1.783 1.00 0.00 O ATOM 0 H GLU A 12 2.444 -6.889 -3.037 1.00 0.00 H new ATOM 0 HA GLU A 12 1.244 -8.127 -0.644 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.786 -7.405 -1.760 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.605 -6.393 -0.341 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.883 -8.560 0.918 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.480 -9.440 -0.475 1.00 0.00 H new ATOM 185 N CYS A 13 1.297 -4.871 -0.955 1.00 0.00 N ATOM 186 CA CYS A 13 0.730 -3.638 -0.344 1.00 0.00 C ATOM 187 C CYS A 13 -0.799 -3.694 -0.367 1.00 0.00 C ATOM 188 O CYS A 13 -1.465 -3.043 0.415 1.00 0.00 O ATOM 189 CB CYS A 13 1.237 -2.492 -1.219 1.00 0.00 C ATOM 190 SG CYS A 13 2.491 -1.550 -0.314 1.00 0.00 S ATOM 0 H CYS A 13 1.787 -4.731 -1.839 1.00 0.00 H new ATOM 0 HA CYS A 13 1.029 -3.518 0.697 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.660 -2.886 -2.143 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.409 -1.840 -1.499 1.00 0.00 H new ATOM 195 N LEU A 14 -1.365 -4.465 -1.257 1.00 0.00 N ATOM 196 CA LEU A 14 -2.849 -4.555 -1.322 1.00 0.00 C ATOM 197 C LEU A 14 -3.403 -5.057 0.017 1.00 0.00 C ATOM 198 O LEU A 14 -4.178 -4.371 0.653 1.00 0.00 O ATOM 199 CB LEU A 14 -3.145 -5.541 -2.452 1.00 0.00 C ATOM 200 CG LEU A 14 -3.682 -4.782 -3.667 1.00 0.00 C ATOM 201 CD1 LEU A 14 -4.917 -3.974 -3.264 1.00 0.00 C ATOM 202 CD2 LEU A 14 -2.604 -3.833 -4.194 1.00 0.00 C ATOM 0 H LEU A 14 -0.864 -5.034 -1.939 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.318 -3.589 -1.510 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.239 -6.084 -2.721 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.874 -6.281 -2.121 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.953 -5.495 -4.446 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.298 -3.434 -4.131 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.687 -4.649 -2.890 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.648 -3.263 -2.483 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.987 -3.292 -5.060 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.332 -3.122 -3.414 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.724 -4.407 -4.485 1.00 0.00 H new ATOM 214 N PRO A 15 -2.981 -6.234 0.423 1.00 0.00 N ATOM 215 CA PRO A 15 -3.443 -6.794 1.714 1.00 0.00 C ATOM 216 C PRO A 15 -3.060 -5.853 2.862 1.00 0.00 C ATOM 217 O PRO A 15 -3.868 -5.530 3.708 1.00 0.00 O ATOM 218 CB PRO A 15 -2.669 -8.112 1.808 1.00 0.00 C ATOM 219 CG PRO A 15 -1.781 -8.255 0.558 1.00 0.00 C ATOM 220 CD PRO A 15 -2.036 -7.059 -0.368 1.00 0.00 C ATOM 0 HA PRO A 15 -4.523 -6.927 1.776 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -2.057 -8.127 2.710 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -3.360 -8.952 1.878 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.730 -8.294 0.844 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.005 -9.188 0.040 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.117 -6.518 -0.594 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.467 -7.368 -1.320 1.00 0.00 H new ATOM 228 N LYS A 16 -1.830 -5.412 2.891 1.00 0.00 N ATOM 229 CA LYS A 16 -1.394 -4.491 3.981 1.00 0.00 C ATOM 230 C LYS A 16 -2.155 -3.167 3.889 1.00 0.00 C ATOM 231 O LYS A 16 -2.759 -2.719 4.842 1.00 0.00 O ATOM 232 CB LYS A 16 0.099 -4.266 3.738 1.00 0.00 C ATOM 233 CG LYS A 16 0.905 -5.343 4.469 1.00 0.00 C ATOM 234 CD LYS A 16 2.348 -4.867 4.646 1.00 0.00 C ATOM 235 CE LYS A 16 2.636 -4.644 6.133 1.00 0.00 C ATOM 236 NZ LYS A 16 3.515 -3.442 6.177 1.00 0.00 N ATOM 0 H LYS A 16 -1.110 -5.649 2.209 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.589 -4.903 4.971 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.313 -4.299 2.670 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.390 -3.277 4.091 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.457 -5.551 5.441 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.885 -6.274 3.903 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.038 -5.606 4.238 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.507 -3.942 4.092 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.716 -4.481 6.694 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.129 -5.510 6.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.757 -3.225 7.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.386 -3.629 5.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.017 -2.632 5.756 1.00 0.00 H new ATOM 250 N CYS A 17 -2.131 -2.538 2.748 1.00 0.00 N ATOM 251 CA CYS A 17 -2.853 -1.242 2.596 1.00 0.00 C ATOM 252 C CYS A 17 -4.324 -1.410 2.984 1.00 0.00 C ATOM 253 O CYS A 17 -4.931 -0.528 3.559 1.00 0.00 O ATOM 254 CB CYS A 17 -2.728 -0.891 1.114 1.00 0.00 C ATOM 255 SG CYS A 17 -3.695 0.597 0.762 1.00 0.00 S ATOM 0 H CYS A 17 -1.643 -2.864 1.914 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.441 -0.462 3.236 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.682 -0.727 0.855 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -3.082 -1.721 0.502 1.00 0.00 H new ATOM 260 N LYS A 18 -4.903 -2.538 2.672 1.00 0.00 N ATOM 261 CA LYS A 18 -6.336 -2.764 3.019 1.00 0.00 C ATOM 262 C LYS A 18 -6.527 -2.740 4.538 1.00 0.00 C ATOM 263 O LYS A 18 -7.465 -2.158 5.044 1.00 0.00 O ATOM 264 CB LYS A 18 -6.663 -4.148 2.454 1.00 0.00 C ATOM 265 CG LYS A 18 -8.095 -4.532 2.829 1.00 0.00 C ATOM 266 CD LYS A 18 -8.176 -6.044 3.054 1.00 0.00 C ATOM 267 CE LYS A 18 -9.469 -6.589 2.442 1.00 0.00 C ATOM 268 NZ LYS A 18 -10.565 -5.937 3.213 1.00 0.00 N ATOM 0 H LYS A 18 -4.446 -3.313 2.192 1.00 0.00 H new ATOM 0 HA LYS A 18 -6.988 -1.992 2.610 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.549 -4.145 1.370 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -5.964 -4.886 2.846 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.400 -4.002 3.731 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -8.782 -4.234 2.037 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -7.314 -6.535 2.603 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.146 -6.265 4.121 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.536 -6.348 1.381 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.519 -7.675 2.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.441 -6.486 3.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.305 -5.897 4.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.714 -4.972 2.856 1.00 0.00 H new ATOM 282 N GLU A 19 -5.645 -3.365 5.272 1.00 0.00 N ATOM 283 CA GLU A 19 -5.787 -3.370 6.758 1.00 0.00 C ATOM 284 C GLU A 19 -5.403 -2.003 7.331 1.00 0.00 C ATOM 285 O GLU A 19 -5.705 -1.685 8.463 1.00 0.00 O ATOM 286 CB GLU A 19 -4.820 -4.451 7.251 1.00 0.00 C ATOM 287 CG GLU A 19 -3.375 -4.008 7.005 1.00 0.00 C ATOM 288 CD GLU A 19 -2.525 -4.341 8.232 1.00 0.00 C ATOM 289 OE1 GLU A 19 -2.923 -5.215 8.986 1.00 0.00 O ATOM 290 OE2 GLU A 19 -1.491 -3.716 8.400 1.00 0.00 O ATOM 0 H GLU A 19 -4.836 -3.870 4.910 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.812 -3.570 7.072 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.977 -4.635 8.314 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.015 -5.390 6.733 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.974 -4.510 6.124 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.340 -2.937 6.805 1.00 0.00 H new ATOM 297 N ALA A 20 -4.736 -1.192 6.555 1.00 0.00 N ATOM 298 CA ALA A 20 -4.328 0.152 7.055 1.00 0.00 C ATOM 299 C ALA A 20 -5.374 1.204 6.673 1.00 0.00 C ATOM 300 O ALA A 20 -5.620 2.142 7.405 1.00 0.00 O ATOM 301 CB ALA A 20 -2.995 0.446 6.364 1.00 0.00 C ATOM 0 H ALA A 20 -4.456 -1.402 5.597 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.239 0.176 8.141 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -2.628 1.422 6.682 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.268 -0.320 6.634 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.138 0.446 5.283 1.00 0.00 H new ATOM 307 N ILE A 21 -5.990 1.060 5.531 1.00 0.00 N ATOM 308 CA ILE A 21 -7.016 2.057 5.110 1.00 0.00 C ATOM 309 C ILE A 21 -8.411 1.427 5.131 1.00 0.00 C ATOM 310 O ILE A 21 -9.413 2.114 5.098 1.00 0.00 O ATOM 311 CB ILE A 21 -6.622 2.459 3.687 1.00 0.00 C ATOM 312 CG1 ILE A 21 -7.602 3.513 3.167 1.00 0.00 C ATOM 313 CG2 ILE A 21 -6.663 1.233 2.773 1.00 0.00 C ATOM 314 CD1 ILE A 21 -6.922 4.349 2.082 1.00 0.00 C ATOM 0 H ILE A 21 -5.828 0.298 4.873 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.052 2.918 5.778 1.00 0.00 H new ATOM 0 HB ILE A 21 -5.612 2.869 3.695 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -8.492 3.030 2.765 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -7.930 4.155 3.984 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -6.382 1.524 1.761 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.965 0.481 3.141 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -7.671 0.819 2.764 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -7.619 5.100 1.711 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -6.045 4.843 2.500 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -6.617 3.700 1.261 1.00 0.00 H new ATOM 326 N GLY A 22 -8.486 0.125 5.193 1.00 0.00 N ATOM 327 CA GLY A 22 -9.820 -0.542 5.224 1.00 0.00 C ATOM 328 C GLY A 22 -10.181 -1.048 3.826 1.00 0.00 C ATOM 329 O GLY A 22 -11.083 -1.846 3.660 1.00 0.00 O ATOM 0 H GLY A 22 -7.684 -0.504 5.223 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -9.804 -1.374 5.929 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -10.578 0.158 5.574 1.00 0.00 H new ATOM 333 N LYS A 23 -9.487 -0.595 2.818 1.00 0.00 N ATOM 334 CA LYS A 23 -9.801 -1.057 1.435 1.00 0.00 C ATOM 335 C LYS A 23 -8.510 -1.312 0.652 1.00 0.00 C ATOM 336 O LYS A 23 -7.656 -0.454 0.545 1.00 0.00 O ATOM 337 CB LYS A 23 -10.594 0.089 0.805 1.00 0.00 C ATOM 338 CG LYS A 23 -11.108 -0.339 -0.572 1.00 0.00 C ATOM 339 CD LYS A 23 -11.750 -1.725 -0.472 1.00 0.00 C ATOM 340 CE LYS A 23 -12.790 -1.889 -1.582 1.00 0.00 C ATOM 341 NZ LYS A 23 -12.440 -3.174 -2.249 1.00 0.00 N ATOM 0 H LYS A 23 -8.719 0.072 2.891 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.361 -1.992 1.431 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -11.431 0.362 1.448 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.963 0.973 0.710 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -11.835 0.384 -0.941 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -10.287 -0.358 -1.288 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -10.986 -2.498 -0.558 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -12.221 -1.849 0.503 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.801 -1.918 -1.175 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.753 -1.056 -2.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -13.110 -3.357 -3.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.475 -3.115 -2.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -12.491 -3.949 -1.557 1.00 0.00 H new ATOM 355 N ALA A 24 -8.364 -2.486 0.100 1.00 0.00 N ATOM 356 CA ALA A 24 -7.130 -2.797 -0.677 1.00 0.00 C ATOM 357 C ALA A 24 -7.061 -1.920 -1.929 1.00 0.00 C ATOM 358 O ALA A 24 -7.352 -2.358 -3.023 1.00 0.00 O ATOM 359 CB ALA A 24 -7.264 -4.271 -1.059 1.00 0.00 C ATOM 0 H ALA A 24 -9.046 -3.243 0.153 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.221 -2.606 -0.106 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.391 -4.578 -1.635 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.333 -4.876 -0.155 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.163 -4.411 -1.659 1.00 0.00 H new ATOM 365 N ALA A 25 -6.680 -0.683 -1.773 1.00 0.00 N ATOM 366 CA ALA A 25 -6.590 0.226 -2.952 1.00 0.00 C ATOM 367 C ALA A 25 -5.249 0.962 -2.944 1.00 0.00 C ATOM 368 O ALA A 25 -5.190 2.161 -2.760 1.00 0.00 O ATOM 369 CB ALA A 25 -7.744 1.213 -2.778 1.00 0.00 C ATOM 0 H ALA A 25 -6.427 -0.261 -0.880 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.654 -0.312 -3.898 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.747 1.919 -3.608 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.688 0.669 -2.760 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.620 1.756 -1.841 1.00 0.00 H new ATOM 375 N GLY A 26 -4.170 0.253 -3.137 1.00 0.00 N ATOM 376 CA GLY A 26 -2.838 0.917 -3.131 1.00 0.00 C ATOM 377 C GLY A 26 -1.815 0.039 -3.856 1.00 0.00 C ATOM 378 O GLY A 26 -2.150 -0.976 -4.435 1.00 0.00 O ATOM 0 H GLY A 26 -4.154 -0.754 -3.298 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.905 1.890 -3.618 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.515 1.095 -2.105 1.00 0.00 H new ATOM 382 N LYS A 27 -0.567 0.423 -3.827 1.00 0.00 N ATOM 383 CA LYS A 27 0.482 -0.387 -4.512 1.00 0.00 C ATOM 384 C LYS A 27 1.824 -0.233 -3.790 1.00 0.00 C ATOM 385 O LYS A 27 1.884 0.191 -2.653 1.00 0.00 O ATOM 386 CB LYS A 27 0.563 0.184 -5.927 1.00 0.00 C ATOM 387 CG LYS A 27 -0.475 -0.505 -6.815 1.00 0.00 C ATOM 388 CD LYS A 27 -1.556 0.501 -7.212 1.00 0.00 C ATOM 389 CE LYS A 27 -0.997 1.466 -8.259 1.00 0.00 C ATOM 390 NZ LYS A 27 -1.693 2.756 -7.999 1.00 0.00 N ATOM 0 H LYS A 27 -0.228 1.263 -3.358 1.00 0.00 H new ATOM 0 HA LYS A 27 0.246 -1.451 -4.517 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.384 1.259 -5.908 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.563 0.034 -6.334 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.005 -0.910 -7.706 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.923 -1.345 -6.284 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.425 -0.022 -7.611 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.892 1.054 -6.335 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.083 1.573 -8.161 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.192 1.108 -9.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.363 3.471 -8.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.719 2.624 -8.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.484 3.075 -7.031 1.00 0.00 H new ATOM 404 N CYS A 28 2.901 -0.573 -4.444 1.00 0.00 N ATOM 405 CA CYS A 28 4.239 -0.446 -3.796 1.00 0.00 C ATOM 406 C CYS A 28 5.212 0.282 -4.729 1.00 0.00 C ATOM 407 O CYS A 28 5.508 -0.181 -5.813 1.00 0.00 O ATOM 408 CB CYS A 28 4.701 -1.884 -3.559 1.00 0.00 C ATOM 409 SG CYS A 28 6.460 -1.893 -3.133 1.00 0.00 S ATOM 0 H CYS A 28 2.913 -0.933 -5.398 1.00 0.00 H new ATOM 0 HA CYS A 28 4.197 0.128 -2.870 1.00 0.00 H new ATOM 0 HB2 CYS A 28 4.119 -2.336 -2.755 1.00 0.00 H new ATOM 0 HB3 CYS A 28 4.530 -2.484 -4.453 1.00 0.00 H new ATOM 414 N MET A 29 5.713 1.414 -4.318 1.00 0.00 N ATOM 415 CA MET A 29 6.668 2.163 -5.185 1.00 0.00 C ATOM 416 C MET A 29 7.638 2.975 -4.325 1.00 0.00 C ATOM 417 O MET A 29 7.398 3.216 -3.160 1.00 0.00 O ATOM 418 CB MET A 29 5.794 3.088 -6.031 1.00 0.00 C ATOM 419 CG MET A 29 5.548 2.444 -7.395 1.00 0.00 C ATOM 420 SD MET A 29 3.768 2.245 -7.656 1.00 0.00 S ATOM 421 CE MET A 29 3.721 2.873 -9.352 1.00 0.00 C ATOM 0 H MET A 29 5.504 1.853 -3.421 1.00 0.00 H new ATOM 0 HA MET A 29 7.273 1.499 -5.803 1.00 0.00 H new ATOM 0 HB2 MET A 29 4.845 3.272 -5.527 1.00 0.00 H new ATOM 0 HB3 MET A 29 6.282 4.055 -6.155 1.00 0.00 H new ATOM 0 HG2 MET A 29 5.975 3.063 -8.184 1.00 0.00 H new ATOM 0 HG3 MET A 29 6.045 1.475 -7.446 1.00 0.00 H new ATOM 0 HE1 MET A 29 2.697 2.841 -9.723 1.00 0.00 H new ATOM 0 HE2 MET A 29 4.082 3.901 -9.369 1.00 0.00 H new ATOM 0 HE3 MET A 29 4.356 2.255 -9.987 1.00 0.00 H new ATOM 431 N ASN A 30 8.734 3.400 -4.892 1.00 0.00 N ATOM 432 CA ASN A 30 9.717 4.198 -4.103 1.00 0.00 C ATOM 433 C ASN A 30 10.006 3.502 -2.773 1.00 0.00 C ATOM 434 O ASN A 30 10.409 4.123 -1.810 1.00 0.00 O ATOM 435 CB ASN A 30 9.035 5.545 -3.867 1.00 0.00 C ATOM 436 CG ASN A 30 10.092 6.650 -3.814 1.00 0.00 C ATOM 437 OD1 ASN A 30 11.266 6.391 -3.980 1.00 0.00 O ATOM 438 ND2 ASN A 30 9.720 7.880 -3.588 1.00 0.00 N ATOM 0 H ASN A 30 8.991 3.230 -5.864 1.00 0.00 H new ATOM 0 HA ASN A 30 10.671 4.311 -4.619 1.00 0.00 H new ATOM 0 HB2 ASN A 30 8.321 5.748 -4.665 1.00 0.00 H new ATOM 0 HB3 ASN A 30 8.472 5.521 -2.934 1.00 0.00 H new ATOM 0 HD21 ASN A 30 10.416 8.625 -3.551 1.00 0.00 H new ATOM 0 HD22 ASN A 30 8.733 8.097 -3.449 1.00 0.00 H new ATOM 445 N GLY A 31 9.801 2.215 -2.711 1.00 0.00 N ATOM 446 CA GLY A 31 10.062 1.480 -1.443 1.00 0.00 C ATOM 447 C GLY A 31 9.022 1.886 -0.397 1.00 0.00 C ATOM 448 O GLY A 31 9.266 1.823 0.792 1.00 0.00 O ATOM 0 H GLY A 31 9.464 1.641 -3.484 1.00 0.00 H new ATOM 0 HA2 GLY A 31 10.018 0.405 -1.617 1.00 0.00 H new ATOM 0 HA3 GLY A 31 11.065 1.703 -1.080 1.00 0.00 H new ATOM 452 N LYS A 32 7.863 2.302 -0.830 1.00 0.00 N ATOM 453 CA LYS A 32 6.806 2.711 0.139 1.00 0.00 C ATOM 454 C LYS A 32 5.454 2.141 -0.291 1.00 0.00 C ATOM 455 O LYS A 32 5.330 1.537 -1.338 1.00 0.00 O ATOM 456 CB LYS A 32 6.785 4.239 0.085 1.00 0.00 C ATOM 457 CG LYS A 32 8.050 4.792 0.743 1.00 0.00 C ATOM 458 CD LYS A 32 8.012 6.321 0.720 1.00 0.00 C ATOM 459 CE LYS A 32 6.744 6.811 1.424 1.00 0.00 C ATOM 460 NZ LYS A 32 7.207 7.882 2.350 1.00 0.00 N ATOM 0 H LYS A 32 7.602 2.376 -1.813 1.00 0.00 H new ATOM 0 HA LYS A 32 7.003 2.344 1.146 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.724 4.576 -0.950 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.901 4.619 0.597 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.124 4.435 1.770 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.934 4.432 0.216 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.895 6.725 1.215 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.031 6.680 -0.309 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.018 7.195 0.707 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.257 6.002 1.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.393 8.268 2.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.892 7.485 3.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.660 8.642 1.803 1.00 0.00 H new ATOM 474 N CYS A 33 4.436 2.327 0.504 1.00 0.00 N ATOM 475 CA CYS A 33 3.097 1.790 0.126 1.00 0.00 C ATOM 476 C CYS A 33 2.125 2.936 -0.161 1.00 0.00 C ATOM 477 O CYS A 33 1.805 3.723 0.706 1.00 0.00 O ATOM 478 CB CYS A 33 2.633 0.983 1.338 1.00 0.00 C ATOM 479 SG CYS A 33 1.421 -0.255 0.808 1.00 0.00 S ATOM 0 H CYS A 33 4.472 2.824 1.394 1.00 0.00 H new ATOM 0 HA CYS A 33 3.140 1.180 -0.776 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.485 0.495 1.811 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.191 1.645 2.082 1.00 0.00 H new ATOM 484 N LYS A 34 1.648 3.029 -1.372 1.00 0.00 N ATOM 485 CA LYS A 34 0.689 4.119 -1.714 1.00 0.00 C ATOM 486 C LYS A 34 -0.741 3.586 -1.628 1.00 0.00 C ATOM 487 O LYS A 34 -0.983 2.416 -1.834 1.00 0.00 O ATOM 488 CB LYS A 34 1.027 4.511 -3.154 1.00 0.00 C ATOM 489 CG LYS A 34 2.544 4.645 -3.311 1.00 0.00 C ATOM 490 CD LYS A 34 2.895 4.756 -4.797 1.00 0.00 C ATOM 491 CE LYS A 34 2.210 5.988 -5.394 1.00 0.00 C ATOM 492 NZ LYS A 34 1.134 5.444 -6.267 1.00 0.00 N ATOM 0 H LYS A 34 1.880 2.398 -2.139 1.00 0.00 H new ATOM 0 HA LYS A 34 0.763 4.970 -1.037 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.645 3.759 -3.845 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.541 5.453 -3.408 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.899 5.525 -2.776 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.044 3.782 -2.872 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.975 4.832 -4.922 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.575 3.858 -5.325 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.799 6.628 -4.614 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.914 6.593 -5.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.388 6.159 -6.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.531 5.202 -7.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.731 4.591 -5.830 1.00 0.00 H new ATOM 506 N CYS A 35 -1.691 4.427 -1.322 1.00 0.00 N ATOM 507 CA CYS A 35 -3.099 3.944 -1.224 1.00 0.00 C ATOM 508 C CYS A 35 -4.079 5.058 -1.598 1.00 0.00 C ATOM 509 O CYS A 35 -3.783 6.230 -1.474 1.00 0.00 O ATOM 510 CB CYS A 35 -3.281 3.542 0.240 1.00 0.00 C ATOM 511 SG CYS A 35 -2.309 2.056 0.583 1.00 0.00 S ATOM 0 H CYS A 35 -1.556 5.421 -1.137 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.293 3.115 -1.904 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.965 4.355 0.893 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.335 3.357 0.449 1.00 0.00 H new ATOM 516 N TYR A 36 -5.249 4.697 -2.052 1.00 0.00 N ATOM 517 CA TYR A 36 -6.256 5.728 -2.430 1.00 0.00 C ATOM 518 C TYR A 36 -7.620 5.374 -1.817 1.00 0.00 C ATOM 519 O TYR A 36 -8.080 4.258 -1.956 1.00 0.00 O ATOM 520 CB TYR A 36 -6.324 5.673 -3.956 1.00 0.00 C ATOM 521 CG TYR A 36 -5.198 6.492 -4.539 1.00 0.00 C ATOM 522 CD1 TYR A 36 -3.876 6.048 -4.417 1.00 0.00 C ATOM 523 CD2 TYR A 36 -5.475 7.694 -5.201 1.00 0.00 C ATOM 524 CE1 TYR A 36 -2.831 6.807 -4.957 1.00 0.00 C ATOM 525 CE2 TYR A 36 -4.430 8.453 -5.741 1.00 0.00 C ATOM 526 CZ TYR A 36 -3.107 8.009 -5.619 1.00 0.00 C ATOM 527 OH TYR A 36 -2.077 8.757 -6.151 1.00 0.00 O ATOM 0 H TYR A 36 -5.551 3.731 -2.177 1.00 0.00 H new ATOM 0 HA TYR A 36 -5.990 6.722 -2.071 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -6.251 4.640 -4.297 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.284 6.056 -4.302 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -3.662 5.120 -3.907 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -6.495 8.036 -5.295 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.811 6.465 -4.863 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -4.644 9.380 -6.251 1.00 0.00 H new ATOM 0 HH TYR A 36 -2.442 9.561 -6.577 1.00 0.00 H new ATOM 537 N PRO A 37 -8.231 6.330 -1.155 1.00 0.00 N ATOM 538 CA PRO A 37 -9.551 6.091 -0.521 1.00 0.00 C ATOM 539 C PRO A 37 -10.598 5.725 -1.578 1.00 0.00 C ATOM 540 O PRO A 37 -11.472 4.933 -1.267 1.00 0.00 O ATOM 541 CB PRO A 37 -9.867 7.445 0.121 1.00 0.00 C ATOM 542 CG PRO A 37 -8.708 8.415 -0.171 1.00 0.00 C ATOM 543 CD PRO A 37 -7.647 7.682 -1.002 1.00 0.00 C ATOM 544 OXT PRO A 37 -10.505 6.242 -2.679 1.00 0.00 O ATOM 0 HA PRO A 37 -9.551 5.267 0.192 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.801 7.842 -0.276 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.001 7.331 1.197 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -9.074 9.288 -0.711 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -8.274 8.776 0.761 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -7.483 8.164 -1.966 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.684 7.652 -0.493 1.00 0.00 H new TER 552 PRO A 37