USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 479 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 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0.629 (180deg=0.629) USER MOD Single : A 12 GLN : amide:sc= -0.0156 X(o=-0.016,f=-0.012) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0044 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -172:sc= -1.33 (180deg=-1.4) USER MOD Single : A 29 TYR OH : rot 30:sc= -1.01 USER MOD Single : A 31 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0212) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= -0.347 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.127) USER MOD Single : A 52 ASN : amide:sc= -0.212 X(o=-0.21,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 1.5 K(o=1.5,f=-0.31) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.0326 USER MOD Single : A 62 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.106) USER MOD Single : A 64 ASN :FLIP amide:sc= -3.08! F(o=-4.6,f=-3.1!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 0.581 0.318 -0.283 1.00 0.00 N ATOM 2 CA LEU A 1 1.569 0.227 -1.352 1.00 0.00 C ATOM 3 C LEU A 1 1.145 -0.796 -2.400 1.00 0.00 C ATOM 4 O LEU A 1 0.525 -1.811 -2.079 1.00 0.00 O ATOM 5 CB LEU A 1 2.936 -0.150 -0.779 1.00 0.00 C ATOM 6 CG LEU A 1 4.145 0.529 -1.425 1.00 0.00 C ATOM 7 CD1 LEU A 1 5.241 0.758 -0.396 1.00 0.00 C ATOM 8 CD2 LEU A 1 4.666 -0.305 -2.586 1.00 0.00 C ATOM 0 H1 LEU A 1 0.892 1.021 0.418 1.00 0.00 H new ATOM 0 H2 LEU A 1 -0.335 0.608 -0.681 1.00 0.00 H new ATOM 0 H3 LEU A 1 0.481 -0.609 0.177 1.00 0.00 H new ATOM 0 HA LEU A 1 1.639 1.203 -1.832 1.00 0.00 H new ATOM 0 HB2 LEU A 1 2.939 0.084 0.286 1.00 0.00 H new ATOM 0 HB3 LEU A 1 3.060 -1.229 -0.868 1.00 0.00 H new ATOM 0 HG LEU A 1 3.831 1.498 -1.812 1.00 0.00 H new ATOM 0 HD11 LEU A 1 6.093 1.242 -0.874 1.00 0.00 H new ATOM 0 HD12 LEU A 1 4.862 1.396 0.403 1.00 0.00 H new ATOM 0 HD13 LEU A 1 5.554 -0.199 0.021 1.00 0.00 H new ATOM 0 HD21 LEU A 1 5.526 0.192 -3.034 1.00 0.00 H new ATOM 0 HD22 LEU A 1 4.964 -1.288 -2.223 1.00 0.00 H new ATOM 0 HD23 LEU A 1 3.881 -0.417 -3.334 1.00 0.00 H new ATOM 20 N THR A 2 1.484 -0.525 -3.657 1.00 0.00 N ATOM 21 CA THR A 2 1.140 -1.422 -4.752 1.00 0.00 C ATOM 22 C THR A 2 2.352 -2.228 -5.204 1.00 0.00 C ATOM 23 O THR A 2 3.441 -1.683 -5.384 1.00 0.00 O ATOM 24 CB THR A 2 0.575 -0.646 -5.957 1.00 0.00 C ATOM 25 OG1 THR A 2 -0.617 0.051 -5.576 1.00 0.00 O ATOM 26 CG2 THR A 2 0.270 -1.588 -7.112 1.00 0.00 C ATOM 0 H THR A 2 1.997 0.310 -3.941 1.00 0.00 H new ATOM 0 HA THR A 2 0.375 -2.102 -4.376 1.00 0.00 H new ATOM 0 HB THR A 2 1.327 0.073 -6.283 1.00 0.00 H new ATOM 0 HG1 THR A 2 -0.969 0.543 -6.347 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.128 -1.018 -7.951 1.00 0.00 H new ATOM 0 HG22 THR A 2 1.185 -2.095 -7.419 1.00 0.00 H new ATOM 0 HG23 THR A 2 -0.466 -2.327 -6.794 1.00 0.00 H new ATOM 34 N CYS A 3 2.156 -3.530 -5.388 1.00 0.00 N ATOM 35 CA CYS A 3 3.233 -4.412 -5.820 1.00 0.00 C ATOM 36 C CYS A 3 2.715 -5.466 -6.795 1.00 0.00 C ATOM 37 O CYS A 3 1.528 -5.797 -6.796 1.00 0.00 O ATOM 38 CB CYS A 3 3.878 -5.094 -4.611 1.00 0.00 C ATOM 39 SG CYS A 3 4.773 -3.955 -3.506 1.00 0.00 S ATOM 0 H CYS A 3 1.261 -3.997 -5.244 1.00 0.00 H new ATOM 0 HA CYS A 3 3.982 -3.807 -6.330 1.00 0.00 H new ATOM 0 HB2 CYS A 3 3.103 -5.605 -4.039 1.00 0.00 H new ATOM 0 HB3 CYS A 3 4.569 -5.859 -4.965 1.00 0.00 H new ATOM 44 N LEU A 4 3.612 -5.989 -7.623 1.00 0.00 N ATOM 45 CA LEU A 4 3.247 -7.006 -8.604 1.00 0.00 C ATOM 46 C LEU A 4 3.555 -8.404 -8.079 1.00 0.00 C ATOM 47 O LEU A 4 4.702 -8.720 -7.761 1.00 0.00 O ATOM 48 CB LEU A 4 3.992 -6.766 -9.918 1.00 0.00 C ATOM 49 CG LEU A 4 4.236 -5.304 -10.294 1.00 0.00 C ATOM 50 CD1 LEU A 4 5.041 -5.211 -11.581 1.00 0.00 C ATOM 51 CD2 LEU A 4 2.914 -4.563 -10.435 1.00 0.00 C ATOM 0 H LEU A 4 4.597 -5.726 -7.635 1.00 0.00 H new ATOM 0 HA LEU A 4 2.174 -6.934 -8.784 1.00 0.00 H new ATOM 0 HB2 LEU A 4 4.956 -7.272 -9.864 1.00 0.00 H new ATOM 0 HB3 LEU A 4 3.429 -7.238 -10.723 1.00 0.00 H new ATOM 0 HG LEU A 4 4.811 -4.834 -9.496 1.00 0.00 H new ATOM 0 HD11 LEU A 4 5.205 -4.163 -11.833 1.00 0.00 H new ATOM 0 HD12 LEU A 4 6.002 -5.706 -11.445 1.00 0.00 H new ATOM 0 HD13 LEU A 4 4.493 -5.697 -12.389 1.00 0.00 H new ATOM 0 HD21 LEU A 4 3.106 -3.524 -10.703 1.00 0.00 H new ATOM 0 HD22 LEU A 4 2.314 -5.034 -11.214 1.00 0.00 H new ATOM 0 HD23 LEU A 4 2.374 -4.600 -9.489 1.00 0.00 H new ATOM 63 N ILE A 5 2.524 -9.238 -7.993 1.00 0.00 N ATOM 64 CA ILE A 5 2.686 -10.604 -7.510 1.00 0.00 C ATOM 65 C ILE A 5 2.039 -11.604 -8.462 1.00 0.00 C ATOM 66 O ILE A 5 0.946 -11.369 -8.979 1.00 0.00 O ATOM 67 CB ILE A 5 2.076 -10.781 -6.106 1.00 0.00 C ATOM 68 CG1 ILE A 5 2.061 -12.260 -5.716 1.00 0.00 C ATOM 69 CG2 ILE A 5 0.670 -10.201 -6.063 1.00 0.00 C ATOM 70 CD1 ILE A 5 1.309 -12.538 -4.433 1.00 0.00 C ATOM 0 H ILE A 5 1.568 -8.992 -8.251 1.00 0.00 H new ATOM 0 HA ILE A 5 3.758 -10.795 -7.459 1.00 0.00 H new ATOM 0 HB ILE A 5 2.692 -10.242 -5.387 1.00 0.00 H new ATOM 0 HG12 ILE A 5 1.610 -12.836 -6.524 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.088 -12.610 -5.609 1.00 0.00 H new ATOM 0 HG21 ILE A 5 0.252 -10.333 -5.065 1.00 0.00 H new ATOM 0 HG22 ILE A 5 0.707 -9.138 -6.303 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.042 -10.715 -6.790 1.00 0.00 H new ATOM 0 HD11 ILE A 5 1.339 -13.606 -4.218 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.773 -11.989 -3.613 1.00 0.00 H new ATOM 0 HD13 ILE A 5 0.272 -12.219 -4.542 1.00 0.00 H new ATOM 82 N CYS A 6 2.720 -12.722 -8.689 1.00 0.00 N ATOM 83 CA CYS A 6 2.213 -13.760 -9.578 1.00 0.00 C ATOM 84 C CYS A 6 3.256 -14.854 -9.789 1.00 0.00 C ATOM 85 O CYS A 6 4.155 -14.737 -10.622 1.00 0.00 O ATOM 86 CB CYS A 6 1.813 -13.156 -10.926 1.00 0.00 C ATOM 87 SG CYS A 6 1.558 -14.385 -12.246 1.00 0.00 S ATOM 0 H CYS A 6 3.625 -12.932 -8.269 1.00 0.00 H new ATOM 0 HA CYS A 6 1.334 -14.205 -9.111 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.895 -12.582 -10.797 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.586 -12.455 -11.241 1.00 0.00 H new ATOM 92 N PRO A 7 3.135 -15.944 -9.016 1.00 0.00 N ATOM 93 CA PRO A 7 4.057 -17.080 -9.099 1.00 0.00 C ATOM 94 C PRO A 7 3.897 -17.863 -10.398 1.00 0.00 C ATOM 95 O PRO A 7 3.090 -18.788 -10.480 1.00 0.00 O ATOM 96 CB PRO A 7 3.662 -17.946 -7.901 1.00 0.00 C ATOM 97 CG PRO A 7 2.237 -17.602 -7.638 1.00 0.00 C ATOM 98 CD PRO A 7 2.087 -16.151 -8.002 1.00 0.00 C ATOM 0 HA PRO A 7 5.099 -16.761 -9.086 1.00 0.00 H new ATOM 0 HB2 PRO A 7 3.779 -19.007 -8.124 1.00 0.00 H new ATOM 0 HB3 PRO A 7 4.287 -17.732 -7.034 1.00 0.00 H new ATOM 0 HG2 PRO A 7 1.569 -18.225 -8.233 1.00 0.00 H new ATOM 0 HG3 PRO A 7 1.982 -17.770 -6.592 1.00 0.00 H new ATOM 0 HD2 PRO A 7 1.095 -15.937 -8.400 1.00 0.00 H new ATOM 0 HD3 PRO A 7 2.231 -15.503 -7.138 1.00 0.00 H new ATOM 106 N GLU A 8 4.671 -17.485 -11.411 1.00 0.00 N ATOM 107 CA GLU A 8 4.613 -18.152 -12.706 1.00 0.00 C ATOM 108 C GLU A 8 5.737 -17.669 -13.618 1.00 0.00 C ATOM 109 O GLU A 8 6.430 -16.699 -13.309 1.00 0.00 O ATOM 110 CB GLU A 8 3.259 -17.905 -13.372 1.00 0.00 C ATOM 111 CG GLU A 8 2.297 -19.075 -13.250 1.00 0.00 C ATOM 112 CD GLU A 8 1.401 -19.223 -14.464 1.00 0.00 C ATOM 113 OE1 GLU A 8 0.647 -18.273 -14.764 1.00 0.00 O ATOM 114 OE2 GLU A 8 1.452 -20.288 -15.114 1.00 0.00 O ATOM 0 H GLU A 8 5.345 -16.721 -11.359 1.00 0.00 H new ATOM 0 HA GLU A 8 4.738 -19.222 -12.540 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.801 -17.021 -12.928 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.418 -17.685 -14.428 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.865 -19.994 -13.108 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.680 -18.942 -12.362 1.00 0.00 H new ATOM 121 N LYS A 9 5.913 -18.352 -14.744 1.00 0.00 N ATOM 122 CA LYS A 9 6.951 -17.994 -15.703 1.00 0.00 C ATOM 123 C LYS A 9 6.883 -16.510 -16.049 1.00 0.00 C ATOM 124 O LYS A 9 7.679 -15.710 -15.555 1.00 0.00 O ATOM 125 CB LYS A 9 6.811 -18.833 -16.975 1.00 0.00 C ATOM 126 CG LYS A 9 7.520 -20.174 -16.901 1.00 0.00 C ATOM 127 CD LYS A 9 9.030 -20.006 -16.905 1.00 0.00 C ATOM 128 CE LYS A 9 9.642 -20.435 -15.580 1.00 0.00 C ATOM 129 NZ LYS A 9 10.041 -21.870 -15.592 1.00 0.00 N ATOM 0 H LYS A 9 5.349 -19.158 -15.015 1.00 0.00 H new ATOM 0 HA LYS A 9 7.919 -18.198 -15.246 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.753 -19.002 -17.174 1.00 0.00 H new ATOM 0 HB3 LYS A 9 7.208 -18.268 -17.818 1.00 0.00 H new ATOM 0 HG2 LYS A 9 7.214 -20.699 -15.996 1.00 0.00 H new ATOM 0 HG3 LYS A 9 7.219 -20.793 -17.746 1.00 0.00 H new ATOM 0 HD2 LYS A 9 9.461 -20.596 -17.714 1.00 0.00 H new ATOM 0 HD3 LYS A 9 9.281 -18.964 -17.102 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.514 -19.817 -15.366 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.925 -20.264 -14.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.454 -22.123 -14.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 9.204 -22.461 -15.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 10.744 -22.029 -16.342 1.00 0.00 H new ATOM 143 N ASP A 10 5.928 -16.149 -16.899 1.00 0.00 N ATOM 144 CA ASP A 10 5.755 -14.760 -17.309 1.00 0.00 C ATOM 145 C ASP A 10 4.354 -14.264 -16.967 1.00 0.00 C ATOM 146 O ASP A 10 3.398 -14.515 -17.702 1.00 0.00 O ATOM 147 CB ASP A 10 6.009 -14.614 -18.811 1.00 0.00 C ATOM 148 CG ASP A 10 6.043 -13.165 -19.254 1.00 0.00 C ATOM 149 OD1 ASP A 10 6.309 -12.291 -18.402 1.00 0.00 O ATOM 150 OD2 ASP A 10 5.802 -12.904 -20.451 1.00 0.00 O ATOM 0 H ASP A 10 5.262 -16.798 -17.317 1.00 0.00 H new ATOM 0 HA ASP A 10 6.479 -14.153 -16.765 1.00 0.00 H new ATOM 0 HB2 ASP A 10 6.956 -15.091 -19.064 1.00 0.00 H new ATOM 0 HB3 ASP A 10 5.230 -15.141 -19.361 1.00 0.00 H new ATOM 155 N CYS A 11 4.239 -13.559 -15.847 1.00 0.00 N ATOM 156 CA CYS A 11 2.955 -13.028 -15.405 1.00 0.00 C ATOM 157 C CYS A 11 3.121 -12.174 -14.151 1.00 0.00 C ATOM 158 O CYS A 11 3.879 -12.525 -13.247 1.00 0.00 O ATOM 159 CB CYS A 11 1.974 -14.169 -15.132 1.00 0.00 C ATOM 160 SG CYS A 11 0.697 -13.772 -13.895 1.00 0.00 S ATOM 0 H CYS A 11 5.020 -13.342 -15.228 1.00 0.00 H new ATOM 0 HA CYS A 11 2.558 -12.399 -16.201 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.486 -14.446 -16.067 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.533 -15.042 -14.794 1.00 0.00 H new ATOM 165 N GLN A 12 2.408 -11.054 -14.105 1.00 0.00 N ATOM 166 CA GLN A 12 2.477 -10.151 -12.963 1.00 0.00 C ATOM 167 C GLN A 12 1.090 -9.642 -12.586 1.00 0.00 C ATOM 168 O GLN A 12 0.481 -8.864 -13.322 1.00 0.00 O ATOM 169 CB GLN A 12 3.400 -8.971 -13.273 1.00 0.00 C ATOM 170 CG GLN A 12 3.179 -8.373 -14.654 1.00 0.00 C ATOM 171 CD GLN A 12 3.813 -7.005 -14.806 1.00 0.00 C ATOM 172 OE1 GLN A 12 5.008 -6.888 -15.077 1.00 0.00 O ATOM 173 NE2 GLN A 12 3.013 -5.959 -14.631 1.00 0.00 N ATOM 0 H GLN A 12 1.776 -10.750 -14.845 1.00 0.00 H new ATOM 0 HA GLN A 12 2.882 -10.707 -12.117 1.00 0.00 H new ATOM 0 HB2 GLN A 12 3.250 -8.196 -12.522 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.436 -9.299 -13.190 1.00 0.00 H new ATOM 0 HG2 GLN A 12 3.590 -9.045 -15.407 1.00 0.00 H new ATOM 0 HG3 GLN A 12 2.109 -8.296 -14.845 1.00 0.00 H new ATOM 0 HE21 GLN A 12 2.028 -6.102 -14.407 1.00 0.00 H new ATOM 0 HE22 GLN A 12 3.384 -5.013 -14.720 1.00 0.00 H new ATOM 182 N LYS A 13 0.594 -10.085 -11.436 1.00 0.00 N ATOM 183 CA LYS A 13 -0.721 -9.675 -10.960 1.00 0.00 C ATOM 184 C LYS A 13 -0.599 -8.625 -9.860 1.00 0.00 C ATOM 185 O LYS A 13 -0.085 -8.903 -8.777 1.00 0.00 O ATOM 186 CB LYS A 13 -1.499 -10.886 -10.439 1.00 0.00 C ATOM 187 CG LYS A 13 -2.891 -11.015 -11.031 1.00 0.00 C ATOM 188 CD LYS A 13 -2.847 -11.566 -12.446 1.00 0.00 C ATOM 189 CE LYS A 13 -3.011 -13.078 -12.461 1.00 0.00 C ATOM 190 NZ LYS A 13 -3.437 -13.577 -13.798 1.00 0.00 N ATOM 0 H LYS A 13 1.084 -10.729 -10.815 1.00 0.00 H new ATOM 0 HA LYS A 13 -1.262 -9.237 -11.799 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.934 -11.792 -10.659 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -1.580 -10.816 -9.354 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.495 -11.670 -10.403 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.378 -10.040 -11.034 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.637 -11.107 -13.041 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -1.899 -11.297 -12.913 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -2.068 -13.548 -12.181 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.747 -13.371 -11.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -3.538 -14.612 -13.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.349 -13.148 -14.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -2.722 -13.320 -14.508 1.00 0.00 H new ATOM 204 N VAL A 14 -1.076 -7.417 -10.146 1.00 0.00 N ATOM 205 CA VAL A 14 -1.022 -6.326 -9.180 1.00 0.00 C ATOM 206 C VAL A 14 -1.682 -6.723 -7.865 1.00 0.00 C ATOM 207 O VAL A 14 -2.665 -7.465 -7.850 1.00 0.00 O ATOM 208 CB VAL A 14 -1.709 -5.060 -9.725 1.00 0.00 C ATOM 209 CG1 VAL A 14 -1.136 -4.683 -11.083 1.00 0.00 C ATOM 210 CG2 VAL A 14 -3.214 -5.266 -9.811 1.00 0.00 C ATOM 0 H VAL A 14 -1.504 -7.170 -11.038 1.00 0.00 H new ATOM 0 HA VAL A 14 0.032 -6.111 -9.003 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.516 -4.238 -9.036 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.634 -3.786 -11.452 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.067 -4.491 -10.986 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.296 -5.501 -11.785 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.683 -4.362 -10.198 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -3.429 -6.101 -10.478 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.609 -5.484 -8.819 1.00 0.00 H new ATOM 220 N HIS A 15 -1.136 -6.225 -6.760 1.00 0.00 N ATOM 221 CA HIS A 15 -1.673 -6.526 -5.438 1.00 0.00 C ATOM 222 C HIS A 15 -1.348 -5.409 -4.452 1.00 0.00 C ATOM 223 O HIS A 15 -0.192 -5.007 -4.311 1.00 0.00 O ATOM 224 CB HIS A 15 -1.112 -7.854 -4.927 1.00 0.00 C ATOM 225 CG HIS A 15 -1.569 -8.205 -3.545 1.00 0.00 C ATOM 226 ND1 HIS A 15 -0.721 -8.248 -2.459 1.00 0.00 N ATOM 227 CD2 HIS A 15 -2.796 -8.530 -3.075 1.00 0.00 C ATOM 228 CE1 HIS A 15 -1.405 -8.586 -1.381 1.00 0.00 C ATOM 229 NE2 HIS A 15 -2.668 -8.762 -1.728 1.00 0.00 N ATOM 0 H HIS A 15 -0.322 -5.611 -6.754 1.00 0.00 H new ATOM 0 HA HIS A 15 -2.757 -6.607 -5.523 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -1.406 -8.650 -5.611 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -0.023 -7.808 -4.940 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -3.706 -8.595 -3.652 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -1.001 -8.699 -0.386 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -3.425 -9.027 -1.097 1.00 0.00 H new ATOM 237 N THR A 16 -2.374 -4.911 -3.769 1.00 0.00 N ATOM 238 CA THR A 16 -2.198 -3.839 -2.797 1.00 0.00 C ATOM 239 C THR A 16 -1.994 -4.398 -1.394 1.00 0.00 C ATOM 240 O THR A 16 -2.856 -5.096 -0.861 1.00 0.00 O ATOM 241 CB THR A 16 -3.407 -2.885 -2.787 1.00 0.00 C ATOM 242 OG1 THR A 16 -4.226 -3.120 -3.939 1.00 0.00 O ATOM 243 CG2 THR A 16 -2.952 -1.434 -2.769 1.00 0.00 C ATOM 0 H THR A 16 -3.336 -5.233 -3.871 1.00 0.00 H new ATOM 0 HA THR A 16 -1.309 -3.283 -3.097 1.00 0.00 H new ATOM 0 HB THR A 16 -3.986 -3.078 -1.884 1.00 0.00 H new ATOM 0 HG1 THR A 16 -4.993 -2.511 -3.925 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.824 -0.779 -2.762 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.354 -1.251 -1.876 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.352 -1.230 -3.656 1.00 0.00 H new ATOM 251 N CYS A 17 -0.847 -4.085 -0.799 1.00 0.00 N ATOM 252 CA CYS A 17 -0.529 -4.556 0.544 1.00 0.00 C ATOM 253 C CYS A 17 -0.699 -3.436 1.567 1.00 0.00 C ATOM 254 O CYS A 17 0.266 -2.768 1.938 1.00 0.00 O ATOM 255 CB CYS A 17 0.902 -5.093 0.593 1.00 0.00 C ATOM 256 SG CYS A 17 1.016 -6.911 0.549 1.00 0.00 S ATOM 0 H CYS A 17 -0.123 -3.507 -1.226 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.221 -5.361 0.793 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.461 -4.684 -0.249 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.384 -4.731 1.502 1.00 0.00 H new ATOM 261 N ARG A 18 -1.933 -3.238 2.019 1.00 0.00 N ATOM 262 CA ARG A 18 -2.230 -2.200 2.999 1.00 0.00 C ATOM 263 C ARG A 18 -2.171 -2.757 4.418 1.00 0.00 C ATOM 264 O ARG A 18 -2.711 -2.165 5.351 1.00 0.00 O ATOM 265 CB ARG A 18 -3.612 -1.598 2.733 1.00 0.00 C ATOM 266 CG ARG A 18 -3.891 -1.341 1.261 1.00 0.00 C ATOM 267 CD ARG A 18 -4.513 0.030 1.044 1.00 0.00 C ATOM 268 NE ARG A 18 -5.573 -0.004 0.040 1.00 0.00 N ATOM 269 CZ ARG A 18 -6.149 1.085 -0.458 1.00 0.00 C ATOM 270 NH1 ARG A 18 -5.767 2.287 -0.047 1.00 0.00 N ATOM 271 NH2 ARG A 18 -7.107 0.974 -1.368 1.00 0.00 N ATOM 0 H ARG A 18 -2.743 -3.782 1.722 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.476 -1.419 2.903 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.374 -2.271 3.126 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.702 -0.660 3.280 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.962 -1.414 0.695 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.560 -2.111 0.876 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.918 0.398 1.987 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.741 0.733 0.733 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.888 -0.913 -0.297 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.030 2.376 0.652 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.210 3.122 -0.430 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -7.403 0.051 -1.687 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.548 1.811 -1.749 1.00 0.00 H new ATOM 285 N ASN A 19 -1.511 -3.901 4.571 1.00 0.00 N ATOM 286 CA ASN A 19 -1.382 -4.540 5.876 1.00 0.00 C ATOM 287 C ASN A 19 -0.190 -3.975 6.642 1.00 0.00 C ATOM 288 O ASN A 19 0.401 -2.974 6.240 1.00 0.00 O ATOM 289 CB ASN A 19 -1.229 -6.053 5.714 1.00 0.00 C ATOM 290 CG ASN A 19 -2.243 -6.637 4.749 1.00 0.00 C ATOM 291 OD1 ASN A 19 -3.404 -6.228 4.728 1.00 0.00 O ATOM 292 ND2 ASN A 19 -1.808 -7.600 3.944 1.00 0.00 N ATOM 0 H ASN A 19 -1.058 -4.404 3.808 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.288 -4.333 6.445 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.223 -6.278 5.360 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.339 -6.533 6.687 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -2.445 -8.031 3.274 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -0.837 -7.908 3.996 1.00 0.00 H new ATOM 299 N GLU A 20 0.157 -4.626 7.749 1.00 0.00 N ATOM 300 CA GLU A 20 1.279 -4.188 8.571 1.00 0.00 C ATOM 301 C GLU A 20 2.569 -4.150 7.756 1.00 0.00 C ATOM 302 O GLU A 20 3.512 -3.440 8.102 1.00 0.00 O ATOM 303 CB GLU A 20 1.451 -5.117 9.775 1.00 0.00 C ATOM 304 CG GLU A 20 0.399 -4.917 10.853 1.00 0.00 C ATOM 305 CD GLU A 20 0.542 -3.587 11.567 1.00 0.00 C ATOM 306 OE1 GLU A 20 1.501 -2.849 11.259 1.00 0.00 O ATOM 307 OE2 GLU A 20 -0.304 -3.285 12.434 1.00 0.00 O ATOM 0 H GLU A 20 -0.322 -5.457 8.096 1.00 0.00 H new ATOM 0 HA GLU A 20 1.064 -3.180 8.926 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.417 -6.151 9.433 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.438 -4.957 10.208 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -0.592 -4.980 10.404 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.471 -5.725 11.581 1.00 0.00 H new ATOM 314 N GLU A 21 2.600 -4.920 6.673 1.00 0.00 N ATOM 315 CA GLU A 21 3.774 -4.976 5.810 1.00 0.00 C ATOM 316 C GLU A 21 3.847 -3.744 4.911 1.00 0.00 C ATOM 317 O GLU A 21 2.848 -3.057 4.697 1.00 0.00 O ATOM 318 CB GLU A 21 3.747 -6.244 4.954 1.00 0.00 C ATOM 319 CG GLU A 21 3.325 -7.486 5.721 1.00 0.00 C ATOM 320 CD GLU A 21 4.285 -7.832 6.843 1.00 0.00 C ATOM 321 OE1 GLU A 21 4.423 -7.015 7.778 1.00 0.00 O ATOM 322 OE2 GLU A 21 4.897 -8.919 6.787 1.00 0.00 O ATOM 0 H GLU A 21 1.826 -5.513 6.373 1.00 0.00 H new ATOM 0 HA GLU A 21 4.659 -4.995 6.446 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.064 -6.094 4.118 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.738 -6.408 4.530 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.328 -7.332 6.135 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.258 -8.328 5.033 1.00 0.00 H new ATOM 329 N LYS A 22 5.038 -3.471 4.388 1.00 0.00 N ATOM 330 CA LYS A 22 5.244 -2.324 3.511 1.00 0.00 C ATOM 331 C LYS A 22 5.932 -2.745 2.217 1.00 0.00 C ATOM 332 O LYS A 22 5.424 -2.493 1.123 1.00 0.00 O ATOM 333 CB LYS A 22 6.080 -1.257 4.222 1.00 0.00 C ATOM 334 CG LYS A 22 5.704 -1.061 5.680 1.00 0.00 C ATOM 335 CD LYS A 22 4.223 -0.756 5.838 1.00 0.00 C ATOM 336 CE LYS A 22 3.999 0.539 6.603 1.00 0.00 C ATOM 337 NZ LYS A 22 4.285 1.736 5.764 1.00 0.00 N ATOM 0 H LYS A 22 5.875 -4.029 4.556 1.00 0.00 H new ATOM 0 HA LYS A 22 4.268 -1.907 3.263 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.133 -1.532 4.161 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.967 -0.309 3.696 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.954 -1.959 6.245 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.291 -0.245 6.102 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.758 -0.684 4.855 1.00 0.00 H new ATOM 0 HD3 LYS A 22 3.735 -1.578 6.362 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.968 0.580 6.954 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.637 0.554 7.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.120 2.598 6.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 5.276 1.711 5.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.658 1.736 4.934 1.00 0.00 H new ATOM 351 N ILE A 23 7.087 -3.388 2.348 1.00 0.00 N ATOM 352 CA ILE A 23 7.842 -3.846 1.188 1.00 0.00 C ATOM 353 C ILE A 23 7.311 -5.182 0.680 1.00 0.00 C ATOM 354 O ILE A 23 6.584 -5.883 1.384 1.00 0.00 O ATOM 355 CB ILE A 23 9.340 -3.991 1.513 1.00 0.00 C ATOM 356 CG1 ILE A 23 9.546 -5.027 2.620 1.00 0.00 C ATOM 357 CG2 ILE A 23 9.926 -2.648 1.921 1.00 0.00 C ATOM 358 CD1 ILE A 23 10.976 -5.506 2.740 1.00 0.00 C ATOM 0 H ILE A 23 7.521 -3.604 3.246 1.00 0.00 H new ATOM 0 HA ILE A 23 7.719 -3.090 0.412 1.00 0.00 H new ATOM 0 HB ILE A 23 9.859 -4.335 0.618 1.00 0.00 H new ATOM 0 HG12 ILE A 23 9.234 -4.597 3.572 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.899 -5.883 2.430 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.986 -2.767 2.148 1.00 0.00 H new ATOM 0 HG22 ILE A 23 9.807 -1.936 1.104 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.406 -2.277 2.804 1.00 0.00 H new ATOM 0 HD11 ILE A 23 11.048 -6.238 3.544 1.00 0.00 H new ATOM 0 HD12 ILE A 23 11.286 -5.966 1.802 1.00 0.00 H new ATOM 0 HD13 ILE A 23 11.626 -4.659 2.961 1.00 0.00 H new ATOM 370 N CYS A 24 7.681 -5.531 -0.548 1.00 0.00 N ATOM 371 CA CYS A 24 7.245 -6.784 -1.152 1.00 0.00 C ATOM 372 C CYS A 24 8.436 -7.574 -1.687 1.00 0.00 C ATOM 373 O CYS A 24 9.273 -7.040 -2.414 1.00 0.00 O ATOM 374 CB CYS A 24 6.251 -6.511 -2.283 1.00 0.00 C ATOM 375 SG CYS A 24 4.959 -5.298 -1.860 1.00 0.00 S ATOM 0 H CYS A 24 8.282 -4.963 -1.144 1.00 0.00 H new ATOM 0 HA CYS A 24 6.754 -7.378 -0.381 1.00 0.00 H new ATOM 0 HB2 CYS A 24 6.798 -6.154 -3.155 1.00 0.00 H new ATOM 0 HB3 CYS A 24 5.775 -7.449 -2.568 1.00 0.00 H new ATOM 380 N VAL A 25 8.505 -8.850 -1.320 1.00 0.00 N ATOM 381 CA VAL A 25 9.592 -9.715 -1.764 1.00 0.00 C ATOM 382 C VAL A 25 9.073 -11.095 -2.152 1.00 0.00 C ATOM 383 O VAL A 25 8.090 -11.581 -1.593 1.00 0.00 O ATOM 384 CB VAL A 25 10.666 -9.872 -0.671 1.00 0.00 C ATOM 385 CG1 VAL A 25 10.051 -10.420 0.608 1.00 0.00 C ATOM 386 CG2 VAL A 25 11.793 -10.769 -1.157 1.00 0.00 C ATOM 0 H VAL A 25 7.821 -9.307 -0.717 1.00 0.00 H new ATOM 0 HA VAL A 25 10.039 -9.239 -2.637 1.00 0.00 H new ATOM 0 HB VAL A 25 11.083 -8.889 -0.453 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.825 -10.524 1.368 1.00 0.00 H new ATOM 0 HG12 VAL A 25 9.282 -9.735 0.964 1.00 0.00 H new ATOM 0 HG13 VAL A 25 9.605 -11.394 0.409 1.00 0.00 H new ATOM 0 HG21 VAL A 25 12.543 -10.869 -0.372 1.00 0.00 H new ATOM 0 HG22 VAL A 25 11.394 -11.753 -1.405 1.00 0.00 H new ATOM 0 HG23 VAL A 25 12.251 -10.330 -2.043 1.00 0.00 H new ATOM 396 N LYS A 26 9.741 -11.723 -3.114 1.00 0.00 N ATOM 397 CA LYS A 26 9.349 -13.048 -3.578 1.00 0.00 C ATOM 398 C LYS A 26 10.554 -13.982 -3.638 1.00 0.00 C ATOM 399 O LYS A 26 11.662 -13.559 -3.968 1.00 0.00 O ATOM 400 CB LYS A 26 8.694 -12.955 -4.958 1.00 0.00 C ATOM 401 CG LYS A 26 8.758 -14.250 -5.750 1.00 0.00 C ATOM 402 CD LYS A 26 8.005 -14.137 -7.065 1.00 0.00 C ATOM 403 CE LYS A 26 8.915 -14.409 -8.254 1.00 0.00 C ATOM 404 NZ LYS A 26 9.029 -15.866 -8.542 1.00 0.00 N ATOM 0 H LYS A 26 10.557 -11.335 -3.587 1.00 0.00 H new ATOM 0 HA LYS A 26 8.630 -13.456 -2.868 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.651 -12.664 -4.837 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.181 -12.165 -5.530 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.799 -14.506 -5.947 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.337 -15.062 -5.157 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.175 -14.843 -7.072 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.576 -13.139 -7.155 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.528 -13.894 -9.133 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.905 -13.999 -8.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.758 -16.021 -9.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.292 -16.372 -7.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.116 -16.224 -8.888 1.00 0.00 H new ATOM 418 N ARG A 27 10.330 -15.252 -3.318 1.00 0.00 N ATOM 419 CA ARG A 27 11.397 -16.244 -3.335 1.00 0.00 C ATOM 420 C ARG A 27 10.950 -17.511 -4.058 1.00 0.00 C ATOM 421 O ARG A 27 9.876 -18.048 -3.785 1.00 0.00 O ATOM 422 CB ARG A 27 11.830 -16.584 -1.908 1.00 0.00 C ATOM 423 CG ARG A 27 11.931 -15.372 -0.997 1.00 0.00 C ATOM 424 CD ARG A 27 12.553 -15.733 0.343 1.00 0.00 C ATOM 425 NE ARG A 27 11.602 -15.597 1.443 1.00 0.00 N ATOM 426 CZ ARG A 27 10.736 -16.544 1.786 1.00 0.00 C ATOM 427 NH1 ARG A 27 10.703 -17.690 1.120 1.00 0.00 N ATOM 428 NH2 ARG A 27 9.902 -16.346 2.799 1.00 0.00 N ATOM 0 H ARG A 27 9.418 -15.618 -3.044 1.00 0.00 H new ATOM 0 HA ARG A 27 12.245 -15.819 -3.873 1.00 0.00 H new ATOM 0 HB2 ARG A 27 11.119 -17.291 -1.480 1.00 0.00 H new ATOM 0 HB3 ARG A 27 12.797 -17.085 -1.941 1.00 0.00 H new ATOM 0 HG2 ARG A 27 12.530 -14.600 -1.481 1.00 0.00 H new ATOM 0 HG3 ARG A 27 10.938 -14.952 -0.837 1.00 0.00 H new ATOM 0 HD2 ARG A 27 12.921 -16.758 0.307 1.00 0.00 H new ATOM 0 HD3 ARG A 27 13.414 -15.091 0.527 1.00 0.00 H new ATOM 0 HE ARG A 27 11.603 -14.728 1.977 1.00 0.00 H new ATOM 0 HH11 ARG A 27 11.344 -17.846 0.342 1.00 0.00 H new ATOM 0 HH12 ARG A 27 10.037 -18.415 1.386 1.00 0.00 H new ATOM 0 HH21 ARG A 27 9.926 -15.466 3.315 1.00 0.00 H new ATOM 0 HH22 ARG A 27 9.237 -17.074 3.062 1.00 0.00 H new ATOM 442 N PHE A 28 11.780 -17.984 -4.982 1.00 0.00 N ATOM 443 CA PHE A 28 11.469 -19.187 -5.746 1.00 0.00 C ATOM 444 C PHE A 28 12.702 -20.075 -5.886 1.00 0.00 C ATOM 445 O PHE A 28 13.832 -19.622 -5.700 1.00 0.00 O ATOM 446 CB PHE A 28 10.935 -18.814 -7.130 1.00 0.00 C ATOM 447 CG PHE A 28 11.968 -18.191 -8.024 1.00 0.00 C ATOM 448 CD1 PHE A 28 12.157 -16.819 -8.036 1.00 0.00 C ATOM 449 CD2 PHE A 28 12.751 -18.978 -8.853 1.00 0.00 C ATOM 450 CE1 PHE A 28 13.108 -16.242 -8.857 1.00 0.00 C ATOM 451 CE2 PHE A 28 13.703 -18.408 -9.676 1.00 0.00 C ATOM 452 CZ PHE A 28 13.881 -17.038 -9.679 1.00 0.00 C ATOM 0 H PHE A 28 12.673 -17.553 -5.220 1.00 0.00 H new ATOM 0 HA PHE A 28 10.702 -19.742 -5.206 1.00 0.00 H new ATOM 0 HB2 PHE A 28 10.541 -19.709 -7.612 1.00 0.00 H new ATOM 0 HB3 PHE A 28 10.101 -18.121 -7.014 1.00 0.00 H new ATOM 0 HD1 PHE A 28 11.554 -16.192 -7.396 1.00 0.00 H new ATOM 0 HD2 PHE A 28 12.616 -20.049 -8.856 1.00 0.00 H new ATOM 0 HE1 PHE A 28 13.246 -15.171 -8.855 1.00 0.00 H new ATOM 0 HE2 PHE A 28 14.308 -19.033 -10.317 1.00 0.00 H new ATOM 0 HZ PHE A 28 14.623 -16.590 -10.323 1.00 0.00 H new ATOM 462 N TYR A 29 12.476 -21.342 -6.216 1.00 0.00 N ATOM 463 CA TYR A 29 13.568 -22.295 -6.380 1.00 0.00 C ATOM 464 C TYR A 29 13.344 -23.175 -7.606 1.00 0.00 C ATOM 465 O TYR A 29 12.214 -23.553 -7.914 1.00 0.00 O ATOM 466 CB TYR A 29 13.702 -23.167 -5.130 1.00 0.00 C ATOM 467 CG TYR A 29 15.112 -23.650 -4.877 1.00 0.00 C ATOM 468 CD1 TYR A 29 15.698 -24.606 -5.697 1.00 0.00 C ATOM 469 CD2 TYR A 29 15.860 -23.148 -3.819 1.00 0.00 C ATOM 470 CE1 TYR A 29 16.986 -25.051 -5.469 1.00 0.00 C ATOM 471 CE2 TYR A 29 17.149 -23.585 -3.584 1.00 0.00 C ATOM 472 CZ TYR A 29 17.707 -24.537 -4.411 1.00 0.00 C ATOM 473 OH TYR A 29 18.991 -24.976 -4.182 1.00 0.00 O ATOM 0 H TYR A 29 11.547 -21.733 -6.375 1.00 0.00 H new ATOM 0 HA TYR A 29 14.490 -21.732 -6.524 1.00 0.00 H new ATOM 0 HB2 TYR A 29 13.360 -22.601 -4.264 1.00 0.00 H new ATOM 0 HB3 TYR A 29 13.043 -24.030 -5.227 1.00 0.00 H new ATOM 0 HD1 TYR A 29 15.137 -25.009 -6.527 1.00 0.00 H new ATOM 0 HD2 TYR A 29 15.426 -22.403 -3.169 1.00 0.00 H new ATOM 0 HE1 TYR A 29 17.426 -25.797 -6.115 1.00 0.00 H new ATOM 0 HE2 TYR A 29 17.717 -23.184 -2.757 1.00 0.00 H new ATOM 0 HH TYR A 29 19.404 -25.236 -5.032 1.00 0.00 H new ATOM 483 N ASP A 30 14.429 -23.496 -8.301 1.00 0.00 N ATOM 484 CA ASP A 30 14.353 -24.332 -9.493 1.00 0.00 C ATOM 485 C ASP A 30 15.616 -25.174 -9.648 1.00 0.00 C ATOM 486 O ASP A 30 16.713 -24.641 -9.821 1.00 0.00 O ATOM 487 CB ASP A 30 14.147 -23.467 -10.737 1.00 0.00 C ATOM 488 CG ASP A 30 15.317 -22.539 -10.998 1.00 0.00 C ATOM 489 OD1 ASP A 30 15.539 -21.619 -10.182 1.00 0.00 O ATOM 490 OD2 ASP A 30 16.012 -22.733 -12.017 1.00 0.00 O ATOM 0 H ASP A 30 15.372 -23.190 -8.060 1.00 0.00 H new ATOM 0 HA ASP A 30 13.501 -25.003 -9.382 1.00 0.00 H new ATOM 0 HB2 ASP A 30 13.998 -24.112 -11.603 1.00 0.00 H new ATOM 0 HB3 ASP A 30 13.238 -22.877 -10.619 1.00 0.00 H new ATOM 495 N LYS A 31 15.455 -26.491 -9.583 1.00 0.00 N ATOM 496 CA LYS A 31 16.582 -27.407 -9.716 1.00 0.00 C ATOM 497 C LYS A 31 16.149 -28.707 -10.387 1.00 0.00 C ATOM 498 O LYS A 31 16.802 -29.739 -10.241 1.00 0.00 O ATOM 499 CB LYS A 31 17.186 -27.707 -8.343 1.00 0.00 C ATOM 500 CG LYS A 31 18.705 -27.720 -8.337 1.00 0.00 C ATOM 501 CD LYS A 31 19.251 -28.641 -7.258 1.00 0.00 C ATOM 502 CE LYS A 31 20.613 -29.200 -7.639 1.00 0.00 C ATOM 503 NZ LYS A 31 21.630 -28.124 -7.796 1.00 0.00 N ATOM 0 H LYS A 31 14.555 -26.948 -9.439 1.00 0.00 H new ATOM 0 HA LYS A 31 17.336 -26.928 -10.341 1.00 0.00 H new ATOM 0 HB2 LYS A 31 16.834 -26.961 -7.630 1.00 0.00 H new ATOM 0 HB3 LYS A 31 16.821 -28.675 -7.998 1.00 0.00 H new ATOM 0 HG2 LYS A 31 19.071 -28.043 -9.312 1.00 0.00 H new ATOM 0 HG3 LYS A 31 19.078 -26.708 -8.176 1.00 0.00 H new ATOM 0 HD2 LYS A 31 19.331 -28.095 -6.318 1.00 0.00 H new ATOM 0 HD3 LYS A 31 18.553 -29.462 -7.091 1.00 0.00 H new ATOM 0 HE2 LYS A 31 20.944 -29.903 -6.875 1.00 0.00 H new ATOM 0 HE3 LYS A 31 20.528 -29.759 -8.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 22.565 -28.551 -7.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 21.379 -27.525 -8.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 21.657 -27.543 -6.934 1.00 0.00 H new ATOM 574 N TRP A 36 10.198 -26.053 -10.024 1.00 0.00 N ATOM 575 CA TRP A 36 10.042 -24.607 -10.131 1.00 0.00 C ATOM 576 C TRP A 36 8.874 -24.121 -9.279 1.00 0.00 C ATOM 577 O TRP A 36 7.714 -24.249 -9.670 1.00 0.00 O ATOM 578 CB TRP A 36 9.827 -24.203 -11.591 1.00 0.00 C ATOM 579 CG TRP A 36 9.784 -22.719 -11.796 1.00 0.00 C ATOM 580 CD1 TRP A 36 8.743 -21.882 -11.511 1.00 0.00 C ATOM 581 CD2 TRP A 36 10.826 -21.898 -12.333 1.00 0.00 C ATOM 582 NE1 TRP A 36 9.076 -20.590 -11.838 1.00 0.00 N ATOM 583 CE2 TRP A 36 10.349 -20.573 -12.344 1.00 0.00 C ATOM 584 CE3 TRP A 36 12.117 -22.152 -12.804 1.00 0.00 C ATOM 585 CZ2 TRP A 36 11.117 -19.509 -12.808 1.00 0.00 C ATOM 586 CZ3 TRP A 36 12.878 -21.095 -13.265 1.00 0.00 C ATOM 587 CH2 TRP A 36 12.377 -19.787 -13.264 1.00 0.00 C ATOM 0 HA TRP A 36 10.955 -24.140 -9.763 1.00 0.00 H new ATOM 0 HB2 TRP A 36 10.628 -24.624 -12.199 1.00 0.00 H new ATOM 0 HB3 TRP A 36 8.894 -24.639 -11.948 1.00 0.00 H new ATOM 0 HD1 TRP A 36 7.797 -22.190 -11.090 1.00 0.00 H new ATOM 0 HE1 TRP A 36 8.473 -19.775 -11.723 1.00 0.00 H new ATOM 0 HE3 TRP A 36 12.513 -23.157 -12.808 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 10.732 -18.500 -12.808 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 13.876 -21.281 -13.632 1.00 0.00 H new ATOM 0 HH2 TRP A 36 12.997 -18.982 -13.630 1.00 0.00 H new ATOM 598 N ARG A 37 9.189 -23.564 -8.115 1.00 0.00 N ATOM 599 CA ARG A 37 8.165 -23.060 -7.207 1.00 0.00 C ATOM 600 C ARG A 37 8.503 -21.648 -6.737 1.00 0.00 C ATOM 601 O ARG A 37 9.637 -21.366 -6.352 1.00 0.00 O ATOM 602 CB ARG A 37 8.020 -23.990 -6.001 1.00 0.00 C ATOM 603 CG ARG A 37 9.346 -24.377 -5.368 1.00 0.00 C ATOM 604 CD ARG A 37 9.145 -25.301 -4.177 1.00 0.00 C ATOM 605 NE ARG A 37 10.325 -26.121 -3.915 1.00 0.00 N ATOM 606 CZ ARG A 37 10.612 -27.231 -4.586 1.00 0.00 C ATOM 607 NH1 ARG A 37 9.809 -27.651 -5.554 1.00 0.00 N ATOM 608 NH2 ARG A 37 11.705 -27.923 -4.290 1.00 0.00 N ATOM 0 H ARG A 37 10.145 -23.450 -7.778 1.00 0.00 H new ATOM 0 HA ARG A 37 7.219 -23.028 -7.748 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.397 -23.503 -5.250 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.497 -24.895 -6.311 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.975 -24.869 -6.110 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.874 -23.479 -5.048 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.913 -24.707 -3.293 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.287 -25.948 -4.361 1.00 0.00 H new ATOM 0 HE ARG A 37 10.963 -25.825 -3.177 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.968 -27.121 -5.785 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.032 -28.504 -6.068 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.326 -27.603 -3.547 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.924 -28.775 -4.806 1.00 0.00 H new ATOM 622 N ALA A 38 7.510 -20.765 -6.772 1.00 0.00 N ATOM 623 CA ALA A 38 7.701 -19.383 -6.348 1.00 0.00 C ATOM 624 C ALA A 38 6.676 -18.986 -5.292 1.00 0.00 C ATOM 625 O ALA A 38 5.556 -19.497 -5.279 1.00 0.00 O ATOM 626 CB ALA A 38 7.618 -18.448 -7.546 1.00 0.00 C ATOM 0 H ALA A 38 6.565 -20.982 -7.090 1.00 0.00 H new ATOM 0 HA ALA A 38 8.692 -19.299 -5.903 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.762 -17.419 -7.215 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.393 -18.710 -8.266 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.639 -18.544 -8.016 1.00 0.00 H new ATOM 632 N GLN A 39 7.066 -18.073 -4.409 1.00 0.00 N ATOM 633 CA GLN A 39 6.180 -17.609 -3.348 1.00 0.00 C ATOM 634 C GLN A 39 6.486 -16.162 -2.977 1.00 0.00 C ATOM 635 O GLN A 39 7.601 -15.837 -2.569 1.00 0.00 O ATOM 636 CB GLN A 39 6.315 -18.503 -2.114 1.00 0.00 C ATOM 637 CG GLN A 39 5.012 -18.696 -1.357 1.00 0.00 C ATOM 638 CD GLN A 39 5.095 -19.803 -0.324 1.00 0.00 C ATOM 639 OE1 GLN A 39 5.683 -19.628 0.744 1.00 0.00 O ATOM 640 NE2 GLN A 39 4.505 -20.951 -0.637 1.00 0.00 N ATOM 0 H GLN A 39 7.989 -17.640 -4.407 1.00 0.00 H new ATOM 0 HA GLN A 39 5.155 -17.662 -3.716 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.695 -19.477 -2.421 1.00 0.00 H new ATOM 0 HB3 GLN A 39 7.056 -18.070 -1.441 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.742 -17.763 -0.863 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.215 -18.924 -2.065 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.029 -21.052 -1.533 1.00 0.00 H new ATOM 0 HE22 GLN A 39 4.528 -21.732 0.019 1.00 0.00 H new ATOM 649 N ARG A 40 5.488 -15.296 -3.123 1.00 0.00 N ATOM 650 CA ARG A 40 5.651 -13.882 -2.805 1.00 0.00 C ATOM 651 C ARG A 40 5.118 -13.574 -1.409 1.00 0.00 C ATOM 652 O ARG A 40 4.394 -14.375 -0.819 1.00 0.00 O ATOM 653 CB ARG A 40 4.928 -13.019 -3.840 1.00 0.00 C ATOM 654 CG ARG A 40 5.501 -11.617 -3.970 1.00 0.00 C ATOM 655 CD ARG A 40 5.508 -11.150 -5.418 1.00 0.00 C ATOM 656 NE ARG A 40 6.821 -10.662 -5.829 1.00 0.00 N ATOM 657 CZ ARG A 40 7.215 -10.591 -7.095 1.00 0.00 C ATOM 658 NH1 ARG A 40 6.401 -10.974 -8.069 1.00 0.00 N ATOM 659 NH2 ARG A 40 8.426 -10.135 -7.390 1.00 0.00 N ATOM 0 H ARG A 40 4.559 -15.549 -3.459 1.00 0.00 H new ATOM 0 HA ARG A 40 6.716 -13.650 -2.828 1.00 0.00 H new ATOM 0 HB2 ARG A 40 4.976 -13.513 -4.810 1.00 0.00 H new ATOM 0 HB3 ARG A 40 3.874 -12.948 -3.570 1.00 0.00 H new ATOM 0 HG2 ARG A 40 4.914 -10.925 -3.366 1.00 0.00 H new ATOM 0 HG3 ARG A 40 6.517 -11.600 -3.576 1.00 0.00 H new ATOM 0 HD2 ARG A 40 5.208 -11.974 -6.066 1.00 0.00 H new ATOM 0 HD3 ARG A 40 4.770 -10.358 -5.547 1.00 0.00 H new ATOM 0 HE ARG A 40 7.471 -10.359 -5.104 1.00 0.00 H new ATOM 0 HH11 ARG A 40 5.469 -11.324 -7.847 1.00 0.00 H new ATOM 0 HH12 ARG A 40 6.707 -10.918 -9.041 1.00 0.00 H new ATOM 0 HH21 ARG A 40 9.055 -9.839 -6.644 1.00 0.00 H new ATOM 0 HH22 ARG A 40 8.728 -10.081 -8.363 1.00 0.00 H new ATOM 673 N GLY A 41 5.484 -12.408 -0.885 1.00 0.00 N ATOM 674 CA GLY A 41 5.035 -12.015 0.438 1.00 0.00 C ATOM 675 C GLY A 41 5.477 -10.613 0.807 1.00 0.00 C ATOM 676 O GLY A 41 6.564 -10.176 0.429 1.00 0.00 O ATOM 0 H GLY A 41 6.084 -11.729 -1.353 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.947 -12.073 0.481 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.421 -12.720 1.174 1.00 0.00 H new ATOM 680 N CYS A 42 4.630 -9.903 1.546 1.00 0.00 N ATOM 681 CA CYS A 42 4.937 -8.541 1.965 1.00 0.00 C ATOM 682 C CYS A 42 5.584 -8.530 3.347 1.00 0.00 C ATOM 683 O CYS A 42 5.196 -9.292 4.232 1.00 0.00 O ATOM 684 CB CYS A 42 3.665 -7.691 1.979 1.00 0.00 C ATOM 685 SG CYS A 42 2.944 -7.406 0.331 1.00 0.00 S ATOM 0 H CYS A 42 3.726 -10.249 1.867 1.00 0.00 H new ATOM 0 HA CYS A 42 5.642 -8.117 1.250 1.00 0.00 H new ATOM 0 HB2 CYS A 42 2.922 -8.179 2.610 1.00 0.00 H new ATOM 0 HB3 CYS A 42 3.889 -6.728 2.437 1.00 0.00 H new ATOM 690 N ALA A 43 6.573 -7.659 3.525 1.00 0.00 N ATOM 691 CA ALA A 43 7.272 -7.547 4.798 1.00 0.00 C ATOM 692 C ALA A 43 7.637 -6.097 5.098 1.00 0.00 C ATOM 693 O ALA A 43 7.186 -5.178 4.414 1.00 0.00 O ATOM 694 CB ALA A 43 8.520 -8.417 4.794 1.00 0.00 C ATOM 0 H ALA A 43 6.907 -7.021 2.803 1.00 0.00 H new ATOM 0 HA ALA A 43 6.602 -7.896 5.584 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.032 -8.323 5.752 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.238 -9.458 4.634 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.186 -8.095 3.993 1.00 0.00 H new ATOM 700 N VAL A 44 8.457 -5.898 6.125 1.00 0.00 N ATOM 701 CA VAL A 44 8.883 -4.559 6.515 1.00 0.00 C ATOM 702 C VAL A 44 10.397 -4.412 6.411 1.00 0.00 C ATOM 703 O VAL A 44 10.944 -3.335 6.648 1.00 0.00 O ATOM 704 CB VAL A 44 8.444 -4.227 7.953 1.00 0.00 C ATOM 705 CG1 VAL A 44 6.990 -3.779 7.978 1.00 0.00 C ATOM 706 CG2 VAL A 44 8.656 -5.426 8.865 1.00 0.00 C ATOM 0 H VAL A 44 8.840 -6.647 6.702 1.00 0.00 H new ATOM 0 HA VAL A 44 8.405 -3.862 5.827 1.00 0.00 H new ATOM 0 HB VAL A 44 9.059 -3.406 8.321 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.698 -3.549 9.003 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.873 -2.890 7.359 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.357 -4.577 7.591 1.00 0.00 H new ATOM 0 HG21 VAL A 44 8.340 -5.173 9.877 1.00 0.00 H new ATOM 0 HG22 VAL A 44 8.068 -6.268 8.501 1.00 0.00 H new ATOM 0 HG23 VAL A 44 9.712 -5.696 8.871 1.00 0.00 H new ATOM 716 N SER A 45 11.069 -5.502 6.054 1.00 0.00 N ATOM 717 CA SER A 45 12.521 -5.496 5.922 1.00 0.00 C ATOM 718 C SER A 45 12.985 -6.601 4.978 1.00 0.00 C ATOM 719 O SER A 45 12.686 -7.777 5.185 1.00 0.00 O ATOM 720 CB SER A 45 13.180 -5.669 7.292 1.00 0.00 C ATOM 721 OG SER A 45 12.621 -4.780 8.243 1.00 0.00 O ATOM 0 H SER A 45 10.631 -6.400 5.851 1.00 0.00 H new ATOM 0 HA SER A 45 12.819 -4.535 5.503 1.00 0.00 H new ATOM 0 HB2 SER A 45 13.054 -6.697 7.632 1.00 0.00 H new ATOM 0 HB3 SER A 45 14.252 -5.490 7.209 1.00 0.00 H new ATOM 0 HG SER A 45 13.058 -4.912 9.110 1.00 0.00 H new ATOM 727 N CYS A 46 13.719 -6.213 3.940 1.00 0.00 N ATOM 728 CA CYS A 46 14.225 -7.169 2.962 1.00 0.00 C ATOM 729 C CYS A 46 14.931 -8.332 3.653 1.00 0.00 C ATOM 730 O CYS A 46 16.024 -8.191 4.201 1.00 0.00 O ATOM 731 CB CYS A 46 15.187 -6.478 1.994 1.00 0.00 C ATOM 732 SG CYS A 46 15.658 -7.497 0.559 1.00 0.00 S ATOM 0 H CYS A 46 13.976 -5.244 3.755 1.00 0.00 H new ATOM 0 HA CYS A 46 13.376 -7.562 2.403 1.00 0.00 H new ATOM 0 HB2 CYS A 46 14.726 -5.557 1.637 1.00 0.00 H new ATOM 0 HB3 CYS A 46 16.089 -6.194 2.536 1.00 0.00 H new ATOM 737 N PRO A 47 14.291 -9.511 3.627 1.00 0.00 N ATOM 738 CA PRO A 47 14.839 -10.722 4.246 1.00 0.00 C ATOM 739 C PRO A 47 16.056 -11.255 3.498 1.00 0.00 C ATOM 740 O PRO A 47 16.586 -10.596 2.603 1.00 0.00 O ATOM 741 CB PRO A 47 13.680 -11.719 4.160 1.00 0.00 C ATOM 742 CG PRO A 47 12.862 -11.251 3.006 1.00 0.00 C ATOM 743 CD PRO A 47 12.985 -9.752 2.992 1.00 0.00 C ATOM 0 HA PRO A 47 15.188 -10.539 5.262 1.00 0.00 H new ATOM 0 HB2 PRO A 47 14.043 -12.735 4.002 1.00 0.00 H new ATOM 0 HB3 PRO A 47 13.097 -11.728 5.081 1.00 0.00 H new ATOM 0 HG2 PRO A 47 13.223 -11.681 2.072 1.00 0.00 H new ATOM 0 HG3 PRO A 47 11.821 -11.556 3.116 1.00 0.00 H new ATOM 0 HD2 PRO A 47 12.952 -9.356 1.977 1.00 0.00 H new ATOM 0 HD3 PRO A 47 12.175 -9.277 3.546 1.00 0.00 H new ATOM 751 N LYS A 48 16.495 -12.453 3.871 1.00 0.00 N ATOM 752 CA LYS A 48 17.650 -13.076 3.235 1.00 0.00 C ATOM 753 C LYS A 48 17.330 -14.505 2.808 1.00 0.00 C ATOM 754 O LYS A 48 16.324 -15.077 3.226 1.00 0.00 O ATOM 755 CB LYS A 48 18.847 -13.073 4.188 1.00 0.00 C ATOM 756 CG LYS A 48 18.514 -13.572 5.584 1.00 0.00 C ATOM 757 CD LYS A 48 18.397 -15.086 5.622 1.00 0.00 C ATOM 758 CE LYS A 48 18.627 -15.628 7.024 1.00 0.00 C ATOM 759 NZ LYS A 48 17.520 -15.260 7.950 1.00 0.00 N ATOM 0 H LYS A 48 16.068 -13.011 4.610 1.00 0.00 H new ATOM 0 HA LYS A 48 17.900 -12.497 2.346 1.00 0.00 H new ATOM 0 HB2 LYS A 48 19.637 -13.695 3.768 1.00 0.00 H new ATOM 0 HB3 LYS A 48 19.243 -12.060 4.258 1.00 0.00 H new ATOM 0 HG2 LYS A 48 19.287 -13.248 6.281 1.00 0.00 H new ATOM 0 HG3 LYS A 48 17.577 -13.125 5.917 1.00 0.00 H new ATOM 0 HD2 LYS A 48 17.408 -15.384 5.273 1.00 0.00 H new ATOM 0 HD3 LYS A 48 19.123 -15.525 4.937 1.00 0.00 H new ATOM 0 HE2 LYS A 48 18.720 -16.713 6.983 1.00 0.00 H new ATOM 0 HE3 LYS A 48 19.569 -15.241 7.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 17.714 -15.648 8.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 17.447 -14.224 8.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 16.625 -15.650 7.593 1.00 0.00 H new ATOM 773 N ALA A 49 18.194 -15.077 1.975 1.00 0.00 N ATOM 774 CA ALA A 49 18.004 -16.440 1.495 1.00 0.00 C ATOM 775 C ALA A 49 19.340 -17.095 1.162 1.00 0.00 C ATOM 776 O ALA A 49 20.402 -16.512 1.382 1.00 0.00 O ATOM 777 CB ALA A 49 17.092 -16.449 0.277 1.00 0.00 C ATOM 0 H ALA A 49 19.032 -14.617 1.619 1.00 0.00 H new ATOM 0 HA ALA A 49 17.534 -17.017 2.291 1.00 0.00 H new ATOM 0 HB1 ALA A 49 16.959 -17.474 -0.071 1.00 0.00 H new ATOM 0 HB2 ALA A 49 16.123 -16.028 0.545 1.00 0.00 H new ATOM 0 HB3 ALA A 49 17.540 -15.852 -0.517 1.00 0.00 H new ATOM 783 N LYS A 50 19.282 -18.312 0.632 1.00 0.00 N ATOM 784 CA LYS A 50 20.487 -19.048 0.268 1.00 0.00 C ATOM 785 C LYS A 50 20.973 -18.644 -1.120 1.00 0.00 C ATOM 786 O LYS A 50 20.226 -18.093 -1.930 1.00 0.00 O ATOM 787 CB LYS A 50 20.221 -20.554 0.308 1.00 0.00 C ATOM 788 CG LYS A 50 20.384 -21.164 1.690 1.00 0.00 C ATOM 789 CD LYS A 50 21.716 -21.882 1.828 1.00 0.00 C ATOM 790 CE LYS A 50 21.734 -22.796 3.044 1.00 0.00 C ATOM 791 NZ LYS A 50 21.292 -22.086 4.277 1.00 0.00 N ATOM 0 H LYS A 50 18.412 -18.810 0.445 1.00 0.00 H new ATOM 0 HA LYS A 50 21.265 -18.803 0.992 1.00 0.00 H new ATOM 0 HB2 LYS A 50 19.208 -20.745 -0.047 1.00 0.00 H new ATOM 0 HB3 LYS A 50 20.901 -21.053 -0.383 1.00 0.00 H new ATOM 0 HG2 LYS A 50 20.311 -20.381 2.445 1.00 0.00 H new ATOM 0 HG3 LYS A 50 19.571 -21.865 1.878 1.00 0.00 H new ATOM 0 HD2 LYS A 50 21.910 -22.467 0.929 1.00 0.00 H new ATOM 0 HD3 LYS A 50 22.519 -21.149 1.911 1.00 0.00 H new ATOM 0 HE2 LYS A 50 21.084 -23.652 2.865 1.00 0.00 H new ATOM 0 HE3 LYS A 50 22.741 -23.186 3.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 21.539 -22.655 5.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 21.766 -21.162 4.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 20.262 -21.945 4.246 1.00 0.00 H new ATOM 805 N PRO A 51 22.253 -18.923 -1.404 1.00 0.00 N ATOM 806 CA PRO A 51 22.867 -18.599 -2.696 1.00 0.00 C ATOM 807 C PRO A 51 22.324 -19.464 -3.828 1.00 0.00 C ATOM 808 O PRO A 51 22.490 -19.139 -5.003 1.00 0.00 O ATOM 809 CB PRO A 51 24.352 -18.889 -2.466 1.00 0.00 C ATOM 810 CG PRO A 51 24.376 -19.898 -1.370 1.00 0.00 C ATOM 811 CD PRO A 51 23.201 -19.578 -0.487 1.00 0.00 C ATOM 0 HA PRO A 51 22.662 -17.572 -2.999 1.00 0.00 H new ATOM 0 HB2 PRO A 51 24.825 -19.275 -3.369 1.00 0.00 H new ATOM 0 HB3 PRO A 51 24.893 -17.986 -2.184 1.00 0.00 H new ATOM 0 HG2 PRO A 51 24.300 -20.910 -1.769 1.00 0.00 H new ATOM 0 HG3 PRO A 51 25.310 -19.845 -0.811 1.00 0.00 H new ATOM 0 HD2 PRO A 51 22.775 -20.478 -0.044 1.00 0.00 H new ATOM 0 HD3 PRO A 51 23.484 -18.921 0.335 1.00 0.00 H new ATOM 819 N ASN A 52 21.676 -20.566 -3.467 1.00 0.00 N ATOM 820 CA ASN A 52 21.109 -21.478 -4.454 1.00 0.00 C ATOM 821 C ASN A 52 19.746 -20.985 -4.931 1.00 0.00 C ATOM 822 O ASN A 52 19.478 -20.937 -6.131 1.00 0.00 O ATOM 823 CB ASN A 52 20.977 -22.884 -3.864 1.00 0.00 C ATOM 824 CG ASN A 52 22.246 -23.342 -3.172 1.00 0.00 C ATOM 825 OD1 ASN A 52 22.200 -23.929 -2.091 1.00 0.00 O ATOM 826 ND2 ASN A 52 23.389 -23.074 -3.794 1.00 0.00 N ATOM 0 H ASN A 52 21.530 -20.850 -2.498 1.00 0.00 H new ATOM 0 HA ASN A 52 21.783 -21.512 -5.310 1.00 0.00 H new ATOM 0 HB2 ASN A 52 20.152 -22.900 -3.152 1.00 0.00 H new ATOM 0 HB3 ASN A 52 20.726 -23.586 -4.659 1.00 0.00 H new ATOM 0 HD21 ASN A 52 24.275 -23.357 -3.376 1.00 0.00 H new ATOM 0 HD22 ASN A 52 23.380 -22.585 -4.689 1.00 0.00 H new ATOM 833 N GLU A 53 18.890 -20.619 -3.982 1.00 0.00 N ATOM 834 CA GLU A 53 17.555 -20.130 -4.306 1.00 0.00 C ATOM 835 C GLU A 53 17.617 -18.715 -4.874 1.00 0.00 C ATOM 836 O GLU A 53 18.694 -18.130 -4.999 1.00 0.00 O ATOM 837 CB GLU A 53 16.663 -20.153 -3.063 1.00 0.00 C ATOM 838 CG GLU A 53 16.960 -19.032 -2.080 1.00 0.00 C ATOM 839 CD GLU A 53 16.340 -19.272 -0.717 1.00 0.00 C ATOM 840 OE1 GLU A 53 17.008 -19.895 0.135 1.00 0.00 O ATOM 841 OE2 GLU A 53 15.190 -18.838 -0.503 1.00 0.00 O ATOM 0 H GLU A 53 19.097 -20.652 -2.984 1.00 0.00 H new ATOM 0 HA GLU A 53 17.129 -20.789 -5.062 1.00 0.00 H new ATOM 0 HB2 GLU A 53 15.620 -20.086 -3.373 1.00 0.00 H new ATOM 0 HB3 GLU A 53 16.784 -21.111 -2.557 1.00 0.00 H new ATOM 0 HG2 GLU A 53 18.039 -18.926 -1.971 1.00 0.00 H new ATOM 0 HG3 GLU A 53 16.587 -18.091 -2.484 1.00 0.00 H new ATOM 848 N THR A 54 16.454 -18.170 -5.218 1.00 0.00 N ATOM 849 CA THR A 54 16.375 -16.825 -5.775 1.00 0.00 C ATOM 850 C THR A 54 15.361 -15.975 -5.018 1.00 0.00 C ATOM 851 O THR A 54 14.252 -16.424 -4.730 1.00 0.00 O ATOM 852 CB THR A 54 15.991 -16.856 -7.266 1.00 0.00 C ATOM 853 OG1 THR A 54 16.877 -17.723 -7.983 1.00 0.00 O ATOM 854 CG2 THR A 54 16.043 -15.460 -7.868 1.00 0.00 C ATOM 0 H THR A 54 15.554 -18.640 -5.121 1.00 0.00 H new ATOM 0 HA THR A 54 17.365 -16.382 -5.672 1.00 0.00 H new ATOM 0 HB THR A 54 14.971 -17.232 -7.347 1.00 0.00 H new ATOM 0 HG1 THR A 54 16.625 -17.738 -8.930 1.00 0.00 H new ATOM 0 HG21 THR A 54 15.768 -15.508 -8.922 1.00 0.00 H new ATOM 0 HG22 THR A 54 15.346 -14.810 -7.340 1.00 0.00 H new ATOM 0 HG23 THR A 54 17.053 -15.061 -7.774 1.00 0.00 H new ATOM 862 N VAL A 55 15.749 -14.745 -4.698 1.00 0.00 N ATOM 863 CA VAL A 55 14.873 -13.831 -3.975 1.00 0.00 C ATOM 864 C VAL A 55 14.954 -12.421 -4.551 1.00 0.00 C ATOM 865 O VAL A 55 16.017 -11.977 -4.981 1.00 0.00 O ATOM 866 CB VAL A 55 15.225 -13.782 -2.477 1.00 0.00 C ATOM 867 CG1 VAL A 55 14.348 -12.772 -1.754 1.00 0.00 C ATOM 868 CG2 VAL A 55 15.087 -15.163 -1.852 1.00 0.00 C ATOM 0 H VAL A 55 16.664 -14.358 -4.928 1.00 0.00 H new ATOM 0 HA VAL A 55 13.857 -14.210 -4.089 1.00 0.00 H new ATOM 0 HB VAL A 55 16.263 -13.464 -2.376 1.00 0.00 H new ATOM 0 HG11 VAL A 55 14.612 -12.752 -0.697 1.00 0.00 H new ATOM 0 HG12 VAL A 55 14.501 -11.783 -2.185 1.00 0.00 H new ATOM 0 HG13 VAL A 55 13.301 -13.056 -1.861 1.00 0.00 H new ATOM 0 HG21 VAL A 55 15.340 -15.110 -0.793 1.00 0.00 H new ATOM 0 HG22 VAL A 55 14.060 -15.512 -1.963 1.00 0.00 H new ATOM 0 HG23 VAL A 55 15.762 -15.858 -2.352 1.00 0.00 H new ATOM 878 N GLN A 56 13.822 -11.724 -4.554 1.00 0.00 N ATOM 879 CA GLN A 56 13.766 -10.364 -5.077 1.00 0.00 C ATOM 880 C GLN A 56 12.828 -9.498 -4.243 1.00 0.00 C ATOM 881 O GLN A 56 11.610 -9.676 -4.273 1.00 0.00 O ATOM 882 CB GLN A 56 13.306 -10.375 -6.536 1.00 0.00 C ATOM 883 CG GLN A 56 12.043 -11.187 -6.770 1.00 0.00 C ATOM 884 CD GLN A 56 12.319 -12.514 -7.449 1.00 0.00 C ATOM 885 OE1 GLN A 56 12.543 -12.571 -8.659 1.00 0.00 O ATOM 886 NE2 GLN A 56 12.306 -13.591 -6.673 1.00 0.00 N ATOM 0 H GLN A 56 12.933 -12.078 -4.201 1.00 0.00 H new ATOM 0 HA GLN A 56 14.768 -9.939 -5.022 1.00 0.00 H new ATOM 0 HB2 GLN A 56 13.134 -9.349 -6.862 1.00 0.00 H new ATOM 0 HB3 GLN A 56 14.106 -10.777 -7.157 1.00 0.00 H new ATOM 0 HG2 GLN A 56 11.550 -11.368 -5.815 1.00 0.00 H new ATOM 0 HG3 GLN A 56 11.351 -10.607 -7.381 1.00 0.00 H new ATOM 0 HE21 GLN A 56 12.116 -13.498 -5.675 1.00 0.00 H new ATOM 0 HE22 GLN A 56 12.486 -14.511 -7.075 1.00 0.00 H new ATOM 895 N CYS A 57 13.403 -8.560 -3.498 1.00 0.00 N ATOM 896 CA CYS A 57 12.619 -7.666 -2.654 1.00 0.00 C ATOM 897 C CYS A 57 12.597 -6.254 -3.230 1.00 0.00 C ATOM 898 O CYS A 57 13.527 -5.839 -3.923 1.00 0.00 O ATOM 899 CB CYS A 57 13.189 -7.641 -1.234 1.00 0.00 C ATOM 900 SG CYS A 57 14.757 -6.727 -1.079 1.00 0.00 S ATOM 0 H CYS A 57 14.410 -8.399 -3.462 1.00 0.00 H new ATOM 0 HA CYS A 57 11.596 -8.042 -2.621 1.00 0.00 H new ATOM 0 HB2 CYS A 57 12.453 -7.194 -0.566 1.00 0.00 H new ATOM 0 HB3 CYS A 57 13.344 -8.666 -0.898 1.00 0.00 H new ATOM 905 N CYS A 58 11.529 -5.518 -2.939 1.00 0.00 N ATOM 906 CA CYS A 58 11.385 -4.152 -3.427 1.00 0.00 C ATOM 907 C CYS A 58 10.712 -3.269 -2.380 1.00 0.00 C ATOM 908 O CYS A 58 9.863 -3.729 -1.618 1.00 0.00 O ATOM 909 CB CYS A 58 10.572 -4.135 -4.723 1.00 0.00 C ATOM 910 SG CYS A 58 11.532 -3.659 -6.196 1.00 0.00 S ATOM 0 H CYS A 58 10.750 -5.845 -2.367 1.00 0.00 H new ATOM 0 HA CYS A 58 12.381 -3.756 -3.625 1.00 0.00 H new ATOM 0 HB2 CYS A 58 10.145 -5.125 -4.885 1.00 0.00 H new ATOM 0 HB3 CYS A 58 9.738 -3.443 -4.607 1.00 0.00 H new ATOM 915 N SER A 59 11.099 -1.997 -2.350 1.00 0.00 N ATOM 916 CA SER A 59 10.536 -1.050 -1.395 1.00 0.00 C ATOM 917 C SER A 59 10.021 0.198 -2.107 1.00 0.00 C ATOM 918 O SER A 59 10.361 1.323 -1.739 1.00 0.00 O ATOM 919 CB SER A 59 11.587 -0.659 -0.354 1.00 0.00 C ATOM 920 OG SER A 59 12.873 -0.557 -0.940 1.00 0.00 O ATOM 0 H SER A 59 11.800 -1.599 -2.976 1.00 0.00 H new ATOM 0 HA SER A 59 9.698 -1.533 -0.892 1.00 0.00 H new ATOM 0 HB2 SER A 59 11.315 0.293 0.102 1.00 0.00 H new ATOM 0 HB3 SER A 59 11.606 -1.401 0.445 1.00 0.00 H new ATOM 0 HG SER A 59 13.526 -0.304 -0.254 1.00 0.00 H new ATOM 926 N THR A 60 9.197 -0.010 -3.129 1.00 0.00 N ATOM 927 CA THR A 60 8.634 1.096 -3.894 1.00 0.00 C ATOM 928 C THR A 60 7.402 0.653 -4.675 1.00 0.00 C ATOM 929 O THR A 60 7.237 -0.529 -4.974 1.00 0.00 O ATOM 930 CB THR A 60 9.667 1.682 -4.875 1.00 0.00 C ATOM 931 OG1 THR A 60 10.826 0.843 -4.926 1.00 0.00 O ATOM 932 CG2 THR A 60 10.070 3.089 -4.459 1.00 0.00 C ATOM 0 H THR A 60 8.905 -0.934 -3.446 1.00 0.00 H new ATOM 0 HA THR A 60 8.348 1.865 -3.176 1.00 0.00 H new ATOM 0 HB THR A 60 9.211 1.729 -5.864 1.00 0.00 H new ATOM 0 HG1 THR A 60 11.477 1.222 -5.553 1.00 0.00 H new ATOM 0 HG21 THR A 60 10.800 3.482 -5.166 1.00 0.00 H new ATOM 0 HG22 THR A 60 9.190 3.732 -4.450 1.00 0.00 H new ATOM 0 HG23 THR A 60 10.509 3.062 -3.462 1.00 0.00 H new ATOM 940 N ASP A 61 6.541 1.610 -5.004 1.00 0.00 N ATOM 941 CA ASP A 61 5.324 1.319 -5.752 1.00 0.00 C ATOM 942 C ASP A 61 5.655 0.830 -7.159 1.00 0.00 C ATOM 943 O ASP A 61 6.510 1.396 -7.840 1.00 0.00 O ATOM 944 CB ASP A 61 4.436 2.562 -5.827 1.00 0.00 C ATOM 945 CG ASP A 61 4.046 3.078 -4.456 1.00 0.00 C ATOM 946 OD1 ASP A 61 4.819 3.872 -3.880 1.00 0.00 O ATOM 947 OD2 ASP A 61 2.969 2.687 -3.958 1.00 0.00 O ATOM 0 H ASP A 61 6.664 2.594 -4.764 1.00 0.00 H new ATOM 0 HA ASP A 61 4.786 0.529 -5.229 1.00 0.00 H new ATOM 0 HB2 ASP A 61 4.960 3.347 -6.372 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.535 2.328 -6.394 1.00 0.00 H new ATOM 952 N LYS A 62 4.973 -0.227 -7.588 1.00 0.00 N ATOM 953 CA LYS A 62 5.193 -0.793 -8.914 1.00 0.00 C ATOM 954 C LYS A 62 6.634 -1.268 -9.070 1.00 0.00 C ATOM 955 O LYS A 62 7.124 -1.442 -10.186 1.00 0.00 O ATOM 956 CB LYS A 62 4.866 0.241 -9.994 1.00 0.00 C ATOM 957 CG LYS A 62 3.454 0.793 -9.899 1.00 0.00 C ATOM 958 CD LYS A 62 3.376 2.216 -10.427 1.00 0.00 C ATOM 959 CE LYS A 62 3.010 2.243 -11.903 1.00 0.00 C ATOM 960 NZ LYS A 62 4.189 1.973 -12.772 1.00 0.00 N ATOM 0 H LYS A 62 4.263 -0.709 -7.036 1.00 0.00 H new ATOM 0 HA LYS A 62 4.531 -1.651 -9.030 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.575 1.066 -9.922 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.004 -0.214 -10.975 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.774 0.156 -10.465 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.122 0.770 -8.861 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.635 2.777 -9.857 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.335 2.713 -10.280 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.237 1.500 -12.099 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.588 3.216 -12.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.951 2.198 -13.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.989 2.563 -12.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.451 0.969 -12.699 1.00 0.00 H new ATOM 974 N CYS A 63 7.308 -1.479 -7.944 1.00 0.00 N ATOM 975 CA CYS A 63 8.692 -1.935 -7.955 1.00 0.00 C ATOM 976 C CYS A 63 8.763 -3.460 -7.949 1.00 0.00 C ATOM 977 O CYS A 63 9.449 -4.063 -8.772 1.00 0.00 O ATOM 978 CB CYS A 63 9.446 -1.374 -6.747 1.00 0.00 C ATOM 979 SG CYS A 63 11.218 -1.796 -6.715 1.00 0.00 S ATOM 0 H CYS A 63 6.917 -1.341 -7.012 1.00 0.00 H new ATOM 0 HA CYS A 63 9.161 -1.570 -8.869 1.00 0.00 H new ATOM 0 HB2 CYS A 63 9.342 -0.289 -6.739 1.00 0.00 H new ATOM 0 HB3 CYS A 63 8.978 -1.746 -5.835 1.00 0.00 H new ATOM 984 N ASN A 64 8.047 -4.076 -7.014 1.00 0.00 N ATOM 985 CA ASN A 64 8.028 -5.530 -6.900 1.00 0.00 C ATOM 986 C ASN A 64 7.730 -6.177 -8.249 1.00 0.00 C ATOM 987 O ASN A 64 6.611 -6.095 -8.756 1.00 0.00 O ATOM 988 CB ASN A 64 6.984 -5.968 -5.870 1.00 0.00 C ATOM 989 CG ASN A 64 7.266 -7.350 -5.314 1.00 0.00 C ATOM 990 OD1 ASN A 64 6.217 -8.038 -4.878 1.00 0.00 O flip ATOM 991 ND2 ASN A 64 8.414 -7.795 -5.277 1.00 0.00 N flip ATOM 0 H ASN A 64 7.472 -3.591 -6.325 1.00 0.00 H new ATOM 0 HA ASN A 64 9.014 -5.857 -6.570 1.00 0.00 H new ATOM 0 HB2 ASN A 64 6.960 -5.248 -5.052 1.00 0.00 H new ATOM 0 HB3 ASN A 64 5.996 -5.959 -6.331 1.00 0.00 H new ATOM 0 HD21 ASN A 64 9.191 -7.232 -5.623 1.00 0.00 H new ATOM 0 HD22 ASN A 64 8.588 -8.727 -4.900 1.00 0.00 H new ATOM 998 N LYS A 65 8.739 -6.822 -8.825 1.00 0.00 N ATOM 999 CA LYS A 65 8.586 -7.486 -10.114 1.00 0.00 C ATOM 1000 C LYS A 65 7.488 -8.542 -10.056 1.00 0.00 C ATOM 1001 O LYS A 65 7.225 -9.234 -11.040 1.00 0.00 O ATOM 1002 CB LYS A 65 9.907 -8.131 -10.538 1.00 0.00 C ATOM 1003 CG LYS A 65 10.832 -7.189 -11.288 1.00 0.00 C ATOM 1004 CD LYS A 65 11.686 -6.369 -10.336 1.00 0.00 C ATOM 1005 CE LYS A 65 12.560 -5.375 -11.085 1.00 0.00 C ATOM 1006 NZ LYS A 65 13.811 -6.005 -11.588 1.00 0.00 N ATOM 0 H LYS A 65 9.672 -6.899 -8.419 1.00 0.00 H new ATOM 0 HA LYS A 65 8.303 -6.734 -10.850 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.421 -8.502 -9.651 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.694 -8.995 -11.168 1.00 0.00 H new ATOM 0 HG2 LYS A 65 11.477 -7.764 -11.953 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.242 -6.521 -11.915 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.043 -5.835 -9.637 1.00 0.00 H new ATOM 0 HD3 LYS A 65 12.315 -7.035 -9.745 1.00 0.00 H new ATOM 0 HE2 LYS A 65 12.001 -4.959 -11.923 1.00 0.00 H new ATOM 0 HE3 LYS A 65 12.812 -4.544 -10.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 14.379 -5.295 -12.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 14.358 -6.380 -10.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 13.572 -6.782 -12.237 1.00 0.00 H new