USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 504 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 6 GLN : amide:sc= 0 K(o=-0.12,f=-0.82) USER MOD Set 1.2: A 48 THR OG1 : rot 180:sc= -0.116 USER MOD Set 2.1: A 15 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 16 CYS SG : rot 4:sc= 0.406 USER MOD Single : A 4 MET CE :methyl -172:sc= -0.993 (180deg=-1.02) USER MOD Single : A 8 THR OG1 : rot -110:sc= 1.21 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 MET CE :methyl -176:sc= -0.205 (180deg=-0.216) USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 CYS SG : rot -32:sc= 1.14 USER MOD Single : A 21 ASN : amide:sc=-0.00915 K(o=-0.0091,f=-1) USER MOD Single : A 25 SER OG : rot 76:sc= 0.00179 USER MOD Single : A 26 SER OG : rot 70:sc= 1.08 USER MOD Single : A 28 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0988) USER MOD Single : A 31 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 37 LYS NZ :NH3+ -167:sc= 1.27 (180deg=1.12) USER MOD Single : A 39 GLN : amide:sc= -0.0497 X(o=-0.05,f=-0.54) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -140:sc= -0.165 USER MOD Single : A 52 SER OG : rot 110:sc= -0.0298 USER MOD Single : A 55 THR OG1 : rot -36:sc= 1.26 USER MOD Single : A 57 LYS NZ :NH3+ -167:sc= -0.111 (180deg=-0.375) USER MOD Single : A 66 GLN : amide:sc= 0.00135 X(o=0.0013,f=-0.42) USER MOD Single : A 68 TYR OH : rot -106:sc= -2.59! USER MOD ----------------------------------------------------------------- ATOM 28 N ALA A 3 16.685 -3.408 0.250 1.00 0.00 N ATOM 29 CA ALA A 3 16.168 -3.424 1.609 1.00 0.00 C ATOM 30 C ALA A 3 14.649 -3.425 1.581 1.00 0.00 C ATOM 31 O ALA A 3 14.016 -2.371 1.543 1.00 0.00 O ATOM 32 CB ALA A 3 16.692 -2.238 2.405 1.00 0.00 C ATOM 0 HA ALA A 3 16.513 -4.332 2.103 1.00 0.00 H new ATOM 0 HB1 ALA A 3 16.290 -2.273 3.418 1.00 0.00 H new ATOM 0 HB2 ALA A 3 17.781 -2.279 2.445 1.00 0.00 H new ATOM 0 HB3 ALA A 3 16.381 -1.311 1.924 1.00 0.00 H new ATOM 38 N MET A 4 14.067 -4.613 1.580 1.00 0.00 N ATOM 39 CA MET A 4 12.630 -4.740 1.428 1.00 0.00 C ATOM 40 C MET A 4 11.912 -4.719 2.776 1.00 0.00 C ATOM 41 O MET A 4 12.259 -5.450 3.704 1.00 0.00 O ATOM 42 CB MET A 4 12.283 -5.997 0.621 1.00 0.00 C ATOM 43 CG MET A 4 12.723 -7.307 1.257 1.00 0.00 C ATOM 44 SD MET A 4 12.770 -8.663 0.066 1.00 0.00 S ATOM 45 CE MET A 4 11.175 -8.477 -0.732 1.00 0.00 C ATOM 0 H MET A 4 14.565 -5.497 1.682 1.00 0.00 H new ATOM 0 HA MET A 4 12.275 -3.873 0.871 1.00 0.00 H new ATOM 0 HB2 MET A 4 11.204 -6.028 0.470 1.00 0.00 H new ATOM 0 HB3 MET A 4 12.741 -5.916 -0.365 1.00 0.00 H new ATOM 0 HG2 MET A 4 13.711 -7.180 1.699 1.00 0.00 H new ATOM 0 HG3 MET A 4 12.041 -7.562 2.068 1.00 0.00 H new ATOM 0 HE1 MET A 4 10.997 -9.326 -1.392 1.00 0.00 H new ATOM 0 HE2 MET A 4 10.392 -8.436 0.025 1.00 0.00 H new ATOM 0 HE3 MET A 4 11.165 -7.556 -1.315 1.00 0.00 H new ATOM 55 N GLU A 5 10.918 -3.849 2.861 1.00 0.00 N ATOM 56 CA GLU A 5 10.118 -3.662 4.061 1.00 0.00 C ATOM 57 C GLU A 5 8.701 -4.181 3.842 1.00 0.00 C ATOM 58 O GLU A 5 8.194 -4.152 2.721 1.00 0.00 O ATOM 59 CB GLU A 5 10.076 -2.175 4.420 1.00 0.00 C ATOM 60 CG GLU A 5 11.326 -1.682 5.127 1.00 0.00 C ATOM 61 CD GLU A 5 11.646 -2.474 6.374 1.00 0.00 C ATOM 62 OE1 GLU A 5 10.847 -2.441 7.331 1.00 0.00 O ATOM 63 OE2 GLU A 5 12.710 -3.123 6.413 1.00 0.00 O ATOM 0 H GLU A 5 10.640 -3.245 2.088 1.00 0.00 H new ATOM 0 HA GLU A 5 10.571 -4.222 4.879 1.00 0.00 H new ATOM 0 HB2 GLU A 5 9.932 -1.594 3.509 1.00 0.00 H new ATOM 0 HB3 GLU A 5 9.211 -1.988 5.057 1.00 0.00 H new ATOM 0 HG2 GLU A 5 12.171 -1.737 4.441 1.00 0.00 H new ATOM 0 HG3 GLU A 5 11.198 -0.632 5.392 1.00 0.00 H new ATOM 70 N GLN A 6 8.069 -4.657 4.906 1.00 0.00 N ATOM 71 CA GLN A 6 6.699 -5.150 4.826 1.00 0.00 C ATOM 72 C GLN A 6 5.812 -4.405 5.811 1.00 0.00 C ATOM 73 O GLN A 6 5.776 -4.725 7.002 1.00 0.00 O ATOM 74 CB GLN A 6 6.645 -6.653 5.100 1.00 0.00 C ATOM 75 CG GLN A 6 7.341 -7.491 4.041 1.00 0.00 C ATOM 76 CD GLN A 6 7.284 -8.973 4.347 1.00 0.00 C ATOM 77 OE1 GLN A 6 7.265 -9.376 5.508 1.00 0.00 O ATOM 78 NE2 GLN A 6 7.240 -9.792 3.309 1.00 0.00 N ATOM 0 H GLN A 6 8.483 -4.713 5.837 1.00 0.00 H new ATOM 0 HA GLN A 6 6.331 -4.972 3.815 1.00 0.00 H new ATOM 0 HB2 GLN A 6 7.103 -6.854 6.069 1.00 0.00 H new ATOM 0 HB3 GLN A 6 5.603 -6.964 5.170 1.00 0.00 H new ATOM 0 HG2 GLN A 6 6.878 -7.305 3.072 1.00 0.00 H new ATOM 0 HG3 GLN A 6 8.382 -7.179 3.961 1.00 0.00 H new ATOM 0 HE21 GLN A 6 7.258 -9.416 2.361 1.00 0.00 H new ATOM 0 HE22 GLN A 6 7.188 -10.800 3.457 1.00 0.00 H new ATOM 87 N LEU A 7 5.108 -3.407 5.308 1.00 0.00 N ATOM 88 CA LEU A 7 4.274 -2.563 6.147 1.00 0.00 C ATOM 89 C LEU A 7 2.814 -2.981 6.045 1.00 0.00 C ATOM 90 O LEU A 7 2.279 -3.124 4.947 1.00 0.00 O ATOM 91 CB LEU A 7 4.417 -1.095 5.739 1.00 0.00 C ATOM 92 CG LEU A 7 3.663 -0.096 6.619 1.00 0.00 C ATOM 93 CD1 LEU A 7 4.197 -0.123 8.044 1.00 0.00 C ATOM 94 CD2 LEU A 7 3.767 1.303 6.036 1.00 0.00 C ATOM 0 H LEU A 7 5.097 -3.160 4.318 1.00 0.00 H new ATOM 0 HA LEU A 7 4.605 -2.681 7.179 1.00 0.00 H new ATOM 0 HB2 LEU A 7 5.475 -0.834 5.746 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.069 -0.985 4.712 1.00 0.00 H new ATOM 0 HG LEU A 7 2.612 -0.384 6.645 1.00 0.00 H new ATOM 0 HD11 LEU A 7 3.647 0.595 8.652 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.072 -1.123 8.460 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.255 0.139 8.041 1.00 0.00 H new ATOM 0 HD21 LEU A 7 3.226 2.003 6.672 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.815 1.597 5.981 1.00 0.00 H new ATOM 0 HD23 LEU A 7 3.335 1.313 5.035 1.00 0.00 H new ATOM 106 N THR A 8 2.185 -3.184 7.188 1.00 0.00 N ATOM 107 CA THR A 8 0.772 -3.506 7.239 1.00 0.00 C ATOM 108 C THR A 8 -0.002 -2.316 7.795 1.00 0.00 C ATOM 109 O THR A 8 0.048 -2.043 8.993 1.00 0.00 O ATOM 110 CB THR A 8 0.527 -4.737 8.130 1.00 0.00 C ATOM 111 OG1 THR A 8 1.564 -5.708 7.909 1.00 0.00 O ATOM 112 CG2 THR A 8 -0.833 -5.358 7.841 1.00 0.00 C ATOM 0 H THR A 8 2.636 -3.131 8.101 1.00 0.00 H new ATOM 0 HA THR A 8 0.430 -3.732 6.229 1.00 0.00 H new ATOM 0 HB THR A 8 0.541 -4.417 9.172 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.189 -6.487 7.448 1.00 0.00 H new ATOM 0 HG21 THR A 8 -0.981 -6.226 8.484 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.616 -4.625 8.035 1.00 0.00 H new ATOM 0 HG23 THR A 8 -0.877 -5.668 6.797 1.00 0.00 H new ATOM 120 N LEU A 9 -0.692 -1.599 6.922 1.00 0.00 N ATOM 121 CA LEU A 9 -1.405 -0.392 7.320 1.00 0.00 C ATOM 122 C LEU A 9 -2.912 -0.608 7.300 1.00 0.00 C ATOM 123 O LEU A 9 -3.439 -1.298 6.428 1.00 0.00 O ATOM 124 CB LEU A 9 -1.033 0.808 6.428 1.00 0.00 C ATOM 125 CG LEU A 9 -0.847 0.531 4.930 1.00 0.00 C ATOM 126 CD1 LEU A 9 -1.004 1.821 4.148 1.00 0.00 C ATOM 127 CD2 LEU A 9 0.527 -0.065 4.649 1.00 0.00 C ATOM 0 H LEU A 9 -0.774 -1.831 5.932 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.099 -0.166 8.342 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.809 1.566 6.539 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.108 1.240 6.810 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.606 -0.187 4.620 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.871 1.620 3.085 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.999 2.231 4.318 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.254 2.540 4.478 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.631 -0.251 3.580 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.299 0.633 4.973 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.635 -1.003 5.193 1.00 0.00 H new ATOM 139 N GLN A 10 -3.597 -0.013 8.269 1.00 0.00 N ATOM 140 CA GLN A 10 -5.047 -0.126 8.376 1.00 0.00 C ATOM 141 C GLN A 10 -5.720 0.857 7.428 1.00 0.00 C ATOM 142 O GLN A 10 -5.286 1.999 7.304 1.00 0.00 O ATOM 143 CB GLN A 10 -5.496 0.134 9.815 1.00 0.00 C ATOM 144 CG GLN A 10 -4.880 -0.818 10.821 1.00 0.00 C ATOM 145 CD GLN A 10 -5.358 -0.565 12.235 1.00 0.00 C ATOM 146 OE1 GLN A 10 -6.350 -1.140 12.683 1.00 0.00 O ATOM 147 NE2 GLN A 10 -4.655 0.298 12.947 1.00 0.00 N ATOM 0 H GLN A 10 -3.168 0.557 8.998 1.00 0.00 H new ATOM 0 HA GLN A 10 -5.340 -1.138 8.099 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.237 1.157 10.089 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -6.582 0.054 9.869 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -5.120 -1.843 10.539 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.795 -0.724 10.787 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.839 0.753 12.537 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.928 0.510 13.907 1.00 0.00 H new ATOM 156 N VAL A 11 -6.775 0.412 6.766 1.00 0.00 N ATOM 157 CA VAL A 11 -7.426 1.209 5.737 1.00 0.00 C ATOM 158 C VAL A 11 -8.827 1.629 6.152 1.00 0.00 C ATOM 159 O VAL A 11 -9.713 0.792 6.328 1.00 0.00 O ATOM 160 CB VAL A 11 -7.513 0.429 4.411 1.00 0.00 C ATOM 161 CG1 VAL A 11 -8.151 1.276 3.320 1.00 0.00 C ATOM 162 CG2 VAL A 11 -6.134 -0.041 3.991 1.00 0.00 C ATOM 0 H VAL A 11 -7.201 -0.501 6.923 1.00 0.00 H new ATOM 0 HA VAL A 11 -6.817 2.102 5.600 1.00 0.00 H new ATOM 0 HB VAL A 11 -8.147 -0.444 4.566 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -8.200 0.701 2.395 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -9.158 1.562 3.623 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -7.553 2.173 3.159 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -6.207 -0.591 3.053 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.481 0.821 3.856 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.721 -0.692 4.762 1.00 0.00 H new ATOM 172 N GLU A 12 -9.023 2.927 6.304 1.00 0.00 N ATOM 173 CA GLU A 12 -10.334 3.470 6.579 1.00 0.00 C ATOM 174 C GLU A 12 -10.966 3.940 5.271 1.00 0.00 C ATOM 175 O GLU A 12 -10.504 4.909 4.659 1.00 0.00 O ATOM 176 CB GLU A 12 -10.222 4.625 7.573 1.00 0.00 C ATOM 177 CG GLU A 12 -11.559 5.155 8.044 1.00 0.00 C ATOM 178 CD GLU A 12 -11.418 6.406 8.882 1.00 0.00 C ATOM 179 OE1 GLU A 12 -10.936 6.313 10.030 1.00 0.00 O ATOM 180 OE2 GLU A 12 -11.783 7.493 8.394 1.00 0.00 O ATOM 0 H GLU A 12 -8.283 3.626 6.240 1.00 0.00 H new ATOM 0 HA GLU A 12 -10.967 2.701 7.022 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.648 4.294 8.438 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -9.662 5.438 7.110 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -12.188 5.369 7.179 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -12.068 4.386 8.626 1.00 0.00 H new ATOM 187 N GLY A 13 -11.989 3.224 4.827 1.00 0.00 N ATOM 188 CA GLY A 13 -12.665 3.565 3.592 1.00 0.00 C ATOM 189 C GLY A 13 -13.327 2.360 2.960 1.00 0.00 C ATOM 190 O GLY A 13 -14.346 1.878 3.460 1.00 0.00 O ATOM 0 H GLY A 13 -12.366 2.406 5.305 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -13.416 4.330 3.788 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -11.948 3.994 2.892 1.00 0.00 H new ATOM 194 N MET A 14 -12.728 1.866 1.872 1.00 0.00 N ATOM 195 CA MET A 14 -13.225 0.706 1.139 1.00 0.00 C ATOM 196 C MET A 14 -14.623 0.936 0.564 1.00 0.00 C ATOM 197 O MET A 14 -15.221 1.996 0.746 1.00 0.00 O ATOM 198 CB MET A 14 -13.233 -0.531 2.034 1.00 0.00 C ATOM 199 CG MET A 14 -11.852 -1.026 2.433 1.00 0.00 C ATOM 200 SD MET A 14 -10.875 -1.596 1.027 1.00 0.00 S ATOM 201 CE MET A 14 -9.465 -2.311 1.873 1.00 0.00 C ATOM 0 H MET A 14 -11.878 2.266 1.475 1.00 0.00 H new ATOM 0 HA MET A 14 -12.545 0.547 0.302 1.00 0.00 H new ATOM 0 HB2 MET A 14 -13.801 -0.307 2.937 1.00 0.00 H new ATOM 0 HB3 MET A 14 -13.759 -1.334 1.518 1.00 0.00 H new ATOM 0 HG2 MET A 14 -11.316 -0.223 2.939 1.00 0.00 H new ATOM 0 HG3 MET A 14 -11.957 -1.840 3.150 1.00 0.00 H new ATOM 0 HE1 MET A 14 -8.732 -2.646 1.139 1.00 0.00 H new ATOM 0 HE2 MET A 14 -9.012 -1.562 2.523 1.00 0.00 H new ATOM 0 HE3 MET A 14 -9.793 -3.161 2.472 1.00 0.00 H new ATOM 211 N SER A 15 -15.121 -0.071 -0.147 1.00 0.00 N ATOM 212 CA SER A 15 -16.466 -0.047 -0.707 1.00 0.00 C ATOM 213 C SER A 15 -16.778 -1.400 -1.341 1.00 0.00 C ATOM 214 O SER A 15 -17.798 -2.023 -1.044 1.00 0.00 O ATOM 215 CB SER A 15 -16.601 1.067 -1.754 1.00 0.00 C ATOM 216 OG SER A 15 -17.950 1.233 -2.161 1.00 0.00 O ATOM 0 H SER A 15 -14.603 -0.926 -0.351 1.00 0.00 H new ATOM 0 HA SER A 15 -17.176 0.152 0.096 1.00 0.00 H new ATOM 0 HB2 SER A 15 -16.226 2.004 -1.342 1.00 0.00 H new ATOM 0 HB3 SER A 15 -15.984 0.831 -2.621 1.00 0.00 H new ATOM 0 HG SER A 15 -18.005 1.950 -2.827 1.00 0.00 H new ATOM 222 N CYS A 16 -15.885 -1.844 -2.220 1.00 0.00 N ATOM 223 CA CYS A 16 -16.016 -3.134 -2.884 1.00 0.00 C ATOM 224 C CYS A 16 -14.628 -3.693 -3.181 1.00 0.00 C ATOM 225 O CYS A 16 -13.628 -3.161 -2.702 1.00 0.00 O ATOM 226 CB CYS A 16 -16.820 -2.988 -4.183 1.00 0.00 C ATOM 227 SG CYS A 16 -18.516 -2.410 -3.941 1.00 0.00 S ATOM 0 H CYS A 16 -15.053 -1.320 -2.491 1.00 0.00 H new ATOM 0 HA CYS A 16 -16.549 -3.822 -2.228 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -16.301 -2.292 -4.842 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -16.845 -3.951 -4.692 1.00 0.00 H new ATOM 0 HG CYS A 16 -18.712 -2.155 -2.681 1.00 0.00 H new ATOM 233 N GLY A 17 -14.563 -4.755 -3.971 1.00 0.00 N ATOM 234 CA GLY A 17 -13.279 -5.321 -4.343 1.00 0.00 C ATOM 235 C GLY A 17 -12.591 -4.493 -5.409 1.00 0.00 C ATOM 236 O GLY A 17 -11.399 -4.657 -5.675 1.00 0.00 O ATOM 0 H GLY A 17 -15.374 -5.235 -4.361 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -12.640 -5.384 -3.462 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -13.421 -6.338 -4.707 1.00 0.00 H new ATOM 240 N HIS A 18 -13.353 -3.586 -6.006 1.00 0.00 N ATOM 241 CA HIS A 18 -12.860 -2.733 -7.076 1.00 0.00 C ATOM 242 C HIS A 18 -11.767 -1.802 -6.559 1.00 0.00 C ATOM 243 O HIS A 18 -10.677 -1.725 -7.134 1.00 0.00 O ATOM 244 CB HIS A 18 -14.011 -1.914 -7.658 1.00 0.00 C ATOM 245 CG HIS A 18 -13.785 -1.488 -9.071 1.00 0.00 C ATOM 246 ND1 HIS A 18 -13.337 -0.235 -9.422 1.00 0.00 N ATOM 247 CD2 HIS A 18 -13.951 -2.165 -10.228 1.00 0.00 C ATOM 248 CE1 HIS A 18 -13.246 -0.157 -10.735 1.00 0.00 C ATOM 249 NE2 HIS A 18 -13.612 -1.317 -11.249 1.00 0.00 N ATOM 0 H HIS A 18 -14.330 -3.422 -5.761 1.00 0.00 H new ATOM 0 HA HIS A 18 -12.436 -3.364 -7.858 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -14.927 -2.502 -7.607 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -14.165 -1.029 -7.040 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -14.289 -3.186 -10.329 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -12.926 0.709 -11.295 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -13.638 -1.544 -12.243 1.00 0.00 H new ATOM 258 N CYS A 19 -12.057 -1.116 -5.457 1.00 0.00 N ATOM 259 CA CYS A 19 -11.108 -0.185 -4.863 1.00 0.00 C ATOM 260 C CYS A 19 -9.868 -0.919 -4.362 1.00 0.00 C ATOM 261 O CYS A 19 -8.791 -0.334 -4.256 1.00 0.00 O ATOM 262 CB CYS A 19 -11.766 0.599 -3.721 1.00 0.00 C ATOM 263 SG CYS A 19 -12.449 -0.425 -2.394 1.00 0.00 S ATOM 0 H CYS A 19 -12.944 -1.189 -4.958 1.00 0.00 H new ATOM 0 HA CYS A 19 -10.798 0.521 -5.633 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -11.029 1.279 -3.294 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -12.565 1.214 -4.134 1.00 0.00 H new ATOM 0 HG CYS A 19 -12.874 -1.550 -2.889 1.00 0.00 H new ATOM 269 N VAL A 20 -10.028 -2.209 -4.074 1.00 0.00 N ATOM 270 CA VAL A 20 -8.924 -3.048 -3.618 1.00 0.00 C ATOM 271 C VAL A 20 -7.872 -3.196 -4.710 1.00 0.00 C ATOM 272 O VAL A 20 -6.683 -2.994 -4.472 1.00 0.00 O ATOM 273 CB VAL A 20 -9.425 -4.445 -3.194 1.00 0.00 C ATOM 274 CG1 VAL A 20 -8.266 -5.362 -2.824 1.00 0.00 C ATOM 275 CG2 VAL A 20 -10.402 -4.321 -2.038 1.00 0.00 C ATOM 0 H VAL A 20 -10.920 -2.698 -4.150 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.477 -2.558 -2.753 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.940 -4.893 -4.044 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -8.653 -6.338 -2.530 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.605 -5.478 -3.683 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.709 -4.928 -1.994 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -10.749 -5.312 -1.747 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.905 -3.847 -1.191 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -11.254 -3.714 -2.345 1.00 0.00 H new ATOM 285 N ASN A 21 -8.314 -3.532 -5.913 1.00 0.00 N ATOM 286 CA ASN A 21 -7.399 -3.677 -7.040 1.00 0.00 C ATOM 287 C ASN A 21 -6.834 -2.319 -7.439 1.00 0.00 C ATOM 288 O ASN A 21 -5.674 -2.211 -7.859 1.00 0.00 O ATOM 289 CB ASN A 21 -8.102 -4.344 -8.224 1.00 0.00 C ATOM 290 CG ASN A 21 -8.490 -5.781 -7.924 1.00 0.00 C ATOM 291 OD1 ASN A 21 -7.837 -6.462 -7.130 1.00 0.00 O ATOM 292 ND2 ASN A 21 -9.550 -6.255 -8.561 1.00 0.00 N ATOM 0 H ASN A 21 -9.294 -3.709 -6.135 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.571 -4.318 -6.736 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -8.995 -3.775 -8.482 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.446 -4.320 -9.094 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.853 -7.216 -8.402 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -10.064 -5.659 -9.210 1.00 0.00 H new ATOM 299 N ALA A 22 -7.651 -1.281 -7.280 1.00 0.00 N ATOM 300 CA ALA A 22 -7.210 0.083 -7.532 1.00 0.00 C ATOM 301 C ALA A 22 -6.047 0.443 -6.615 1.00 0.00 C ATOM 302 O ALA A 22 -4.959 0.771 -7.087 1.00 0.00 O ATOM 303 CB ALA A 22 -8.359 1.064 -7.342 1.00 0.00 C ATOM 0 H ALA A 22 -8.622 -1.361 -6.978 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.871 0.148 -8.566 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.008 2.078 -7.535 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -9.164 0.820 -8.036 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.729 0.997 -6.319 1.00 0.00 H new ATOM 309 N ILE A 23 -6.271 0.344 -5.305 1.00 0.00 N ATOM 310 CA ILE A 23 -5.247 0.694 -4.326 1.00 0.00 C ATOM 311 C ILE A 23 -4.035 -0.234 -4.445 1.00 0.00 C ATOM 312 O ILE A 23 -2.897 0.197 -4.235 1.00 0.00 O ATOM 313 CB ILE A 23 -5.792 0.690 -2.872 1.00 0.00 C ATOM 314 CG1 ILE A 23 -4.707 1.144 -1.893 1.00 0.00 C ATOM 315 CG2 ILE A 23 -6.318 -0.683 -2.476 1.00 0.00 C ATOM 316 CD1 ILE A 23 -5.174 1.203 -0.455 1.00 0.00 C ATOM 0 H ILE A 23 -7.151 0.025 -4.900 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.933 1.713 -4.552 1.00 0.00 H new ATOM 0 HB ILE A 23 -6.625 1.392 -2.829 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.859 0.463 -1.963 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.350 2.130 -2.191 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.691 -0.648 -1.452 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.127 -0.970 -3.148 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.513 -1.415 -2.544 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.352 1.532 0.181 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.003 1.906 -0.370 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.504 0.213 -0.139 1.00 0.00 H new ATOM 328 N GLU A 24 -4.283 -1.501 -4.795 1.00 0.00 N ATOM 329 CA GLU A 24 -3.202 -2.450 -5.044 1.00 0.00 C ATOM 330 C GLU A 24 -2.217 -1.862 -6.042 1.00 0.00 C ATOM 331 O GLU A 24 -1.020 -1.774 -5.769 1.00 0.00 O ATOM 332 CB GLU A 24 -3.737 -3.785 -5.581 1.00 0.00 C ATOM 333 CG GLU A 24 -2.634 -4.771 -5.944 1.00 0.00 C ATOM 334 CD GLU A 24 -3.100 -5.875 -6.874 1.00 0.00 C ATOM 335 OE1 GLU A 24 -3.147 -5.641 -8.100 1.00 0.00 O ATOM 336 OE2 GLU A 24 -3.394 -6.988 -6.392 1.00 0.00 O ATOM 0 H GLU A 24 -5.220 -1.888 -4.911 1.00 0.00 H new ATOM 0 HA GLU A 24 -2.701 -2.640 -4.095 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.387 -4.237 -4.831 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.350 -3.595 -6.462 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.813 -4.230 -6.415 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.239 -5.217 -5.031 1.00 0.00 H new ATOM 343 N SER A 25 -2.726 -1.430 -7.189 1.00 0.00 N ATOM 344 CA SER A 25 -1.872 -0.851 -8.209 1.00 0.00 C ATOM 345 C SER A 25 -1.373 0.527 -7.803 1.00 0.00 C ATOM 346 O SER A 25 -0.276 0.916 -8.176 1.00 0.00 O ATOM 347 CB SER A 25 -2.588 -0.746 -9.540 1.00 0.00 C ATOM 348 OG SER A 25 -3.093 -2.006 -9.950 1.00 0.00 O ATOM 0 H SER A 25 -3.716 -1.470 -7.432 1.00 0.00 H new ATOM 0 HA SER A 25 -1.019 -1.521 -8.315 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.407 -0.031 -9.460 1.00 0.00 H new ATOM 0 HB3 SER A 25 -1.903 -0.362 -10.296 1.00 0.00 H new ATOM 0 HG SER A 25 -3.893 -2.224 -9.427 1.00 0.00 H new ATOM 354 N SER A 26 -2.173 1.267 -7.045 1.00 0.00 N ATOM 355 CA SER A 26 -1.766 2.588 -6.589 1.00 0.00 C ATOM 356 C SER A 26 -0.419 2.503 -5.881 1.00 0.00 C ATOM 357 O SER A 26 0.429 3.384 -6.025 1.00 0.00 O ATOM 358 CB SER A 26 -2.828 3.180 -5.665 1.00 0.00 C ATOM 359 OG SER A 26 -4.077 3.274 -6.326 1.00 0.00 O ATOM 0 H SER A 26 -3.101 0.977 -6.735 1.00 0.00 H new ATOM 0 HA SER A 26 -1.662 3.245 -7.452 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.929 2.559 -4.775 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.514 4.169 -5.330 1.00 0.00 H new ATOM 0 HG SER A 26 -4.443 2.375 -6.463 1.00 0.00 H new ATOM 365 N VAL A 27 -0.226 1.428 -5.132 1.00 0.00 N ATOM 366 CA VAL A 27 1.063 1.149 -4.527 1.00 0.00 C ATOM 367 C VAL A 27 1.985 0.451 -5.528 1.00 0.00 C ATOM 368 O VAL A 27 3.126 0.850 -5.719 1.00 0.00 O ATOM 369 CB VAL A 27 0.922 0.264 -3.275 1.00 0.00 C ATOM 370 CG1 VAL A 27 2.244 0.169 -2.539 1.00 0.00 C ATOM 371 CG2 VAL A 27 -0.168 0.791 -2.359 1.00 0.00 C ATOM 0 H VAL A 27 -0.947 0.736 -4.930 1.00 0.00 H new ATOM 0 HA VAL A 27 1.493 2.106 -4.232 1.00 0.00 H new ATOM 0 HB VAL A 27 0.636 -0.737 -3.596 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.125 -0.460 -1.657 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.996 -0.267 -3.197 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.563 1.166 -2.233 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.248 0.149 -1.482 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.079 1.805 -2.045 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.119 0.798 -2.892 1.00 0.00 H new ATOM 381 N LYS A 28 1.459 -0.582 -6.180 1.00 0.00 N ATOM 382 CA LYS A 28 2.246 -1.448 -7.062 1.00 0.00 C ATOM 383 C LYS A 28 2.903 -0.689 -8.219 1.00 0.00 C ATOM 384 O LYS A 28 4.028 -1.003 -8.603 1.00 0.00 O ATOM 385 CB LYS A 28 1.351 -2.556 -7.618 1.00 0.00 C ATOM 386 CG LYS A 28 2.075 -3.573 -8.480 1.00 0.00 C ATOM 387 CD LYS A 28 3.171 -4.285 -7.709 1.00 0.00 C ATOM 388 CE LYS A 28 3.776 -5.406 -8.531 1.00 0.00 C ATOM 389 NZ LYS A 28 4.405 -4.911 -9.786 1.00 0.00 N ATOM 0 H LYS A 28 0.476 -0.845 -6.114 1.00 0.00 H new ATOM 0 HA LYS A 28 3.052 -1.869 -6.461 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.877 -3.075 -6.785 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.554 -2.102 -8.206 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.361 -4.305 -8.856 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.506 -3.073 -9.347 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.948 -3.572 -7.433 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.764 -4.688 -6.782 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.524 -5.928 -7.934 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.001 -6.132 -8.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.906 -5.692 -10.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.669 -4.542 -10.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.080 -4.153 -9.560 1.00 0.00 H new ATOM 403 N GLU A 29 2.203 0.294 -8.777 1.00 0.00 N ATOM 404 CA GLU A 29 2.721 1.062 -9.910 1.00 0.00 C ATOM 405 C GLU A 29 3.970 1.833 -9.521 1.00 0.00 C ATOM 406 O GLU A 29 4.809 2.147 -10.368 1.00 0.00 O ATOM 407 CB GLU A 29 1.670 2.044 -10.425 1.00 0.00 C ATOM 408 CG GLU A 29 0.471 1.381 -11.077 1.00 0.00 C ATOM 409 CD GLU A 29 -0.512 2.386 -11.637 1.00 0.00 C ATOM 410 OE1 GLU A 29 -0.231 2.961 -12.711 1.00 0.00 O ATOM 411 OE2 GLU A 29 -1.565 2.610 -11.006 1.00 0.00 O ATOM 0 H GLU A 29 1.275 0.579 -8.465 1.00 0.00 H new ATOM 0 HA GLU A 29 2.970 0.351 -10.698 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.325 2.659 -9.594 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.137 2.715 -11.146 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.813 0.726 -11.879 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -0.035 0.751 -10.345 1.00 0.00 H new ATOM 418 N LEU A 30 4.080 2.125 -8.239 1.00 0.00 N ATOM 419 CA LEU A 30 5.195 2.916 -7.718 1.00 0.00 C ATOM 420 C LEU A 30 6.522 2.169 -7.862 1.00 0.00 C ATOM 421 O LEU A 30 6.590 0.954 -7.670 1.00 0.00 O ATOM 422 CB LEU A 30 4.964 3.275 -6.247 1.00 0.00 C ATOM 423 CG LEU A 30 3.654 4.002 -5.945 1.00 0.00 C ATOM 424 CD1 LEU A 30 3.612 4.428 -4.488 1.00 0.00 C ATOM 425 CD2 LEU A 30 3.475 5.201 -6.867 1.00 0.00 C ATOM 0 H LEU A 30 3.410 1.827 -7.530 1.00 0.00 H new ATOM 0 HA LEU A 30 5.247 3.832 -8.306 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.995 2.358 -5.658 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.792 3.899 -5.909 1.00 0.00 H new ATOM 0 HG LEU A 30 2.828 3.315 -6.127 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.674 4.945 -4.287 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.686 3.548 -3.849 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.447 5.098 -4.281 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.536 5.703 -6.633 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.303 5.896 -6.725 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.458 4.864 -7.903 1.00 0.00 H new ATOM 437 N ASN A 31 7.568 2.909 -8.210 1.00 0.00 N ATOM 438 CA ASN A 31 8.906 2.343 -8.369 1.00 0.00 C ATOM 439 C ASN A 31 9.487 1.929 -7.024 1.00 0.00 C ATOM 440 O ASN A 31 9.573 2.738 -6.101 1.00 0.00 O ATOM 441 CB ASN A 31 9.838 3.358 -9.040 1.00 0.00 C ATOM 442 CG ASN A 31 11.263 2.849 -9.180 1.00 0.00 C ATOM 443 OD1 ASN A 31 11.505 1.646 -9.300 1.00 0.00 O ATOM 444 ND2 ASN A 31 12.219 3.765 -9.175 1.00 0.00 N ATOM 0 H ASN A 31 7.516 3.912 -8.389 1.00 0.00 H new ATOM 0 HA ASN A 31 8.822 1.458 -9.000 1.00 0.00 H new ATOM 0 HB2 ASN A 31 9.447 3.606 -10.027 1.00 0.00 H new ATOM 0 HB3 ASN A 31 9.842 4.280 -8.458 1.00 0.00 H new ATOM 0 HD21 ASN A 31 13.195 3.484 -9.273 1.00 0.00 H new ATOM 0 HD22 ASN A 31 11.980 4.751 -9.074 1.00 0.00 H new ATOM 451 N GLY A 32 9.887 0.670 -6.922 1.00 0.00 N ATOM 452 CA GLY A 32 10.462 0.174 -5.693 1.00 0.00 C ATOM 453 C GLY A 32 9.534 -0.782 -4.982 1.00 0.00 C ATOM 454 O GLY A 32 9.950 -1.514 -4.088 1.00 0.00 O ATOM 0 H GLY A 32 9.822 -0.018 -7.673 1.00 0.00 H new ATOM 0 HA2 GLY A 32 11.404 -0.329 -5.910 1.00 0.00 H new ATOM 0 HA3 GLY A 32 10.692 1.012 -5.036 1.00 0.00 H new ATOM 458 N VAL A 33 8.271 -0.782 -5.377 1.00 0.00 N ATOM 459 CA VAL A 33 7.289 -1.649 -4.759 1.00 0.00 C ATOM 460 C VAL A 33 7.366 -3.053 -5.339 1.00 0.00 C ATOM 461 O VAL A 33 7.295 -3.246 -6.553 1.00 0.00 O ATOM 462 CB VAL A 33 5.866 -1.086 -4.914 1.00 0.00 C ATOM 463 CG1 VAL A 33 4.834 -2.060 -4.369 1.00 0.00 C ATOM 464 CG2 VAL A 33 5.765 0.254 -4.205 1.00 0.00 C ATOM 0 H VAL A 33 7.905 -0.190 -6.123 1.00 0.00 H new ATOM 0 HA VAL A 33 7.519 -1.698 -3.695 1.00 0.00 H new ATOM 0 HB VAL A 33 5.660 -0.943 -5.975 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.836 -1.638 -4.490 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.899 -3.002 -4.914 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.026 -2.239 -3.311 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.756 0.650 -4.317 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.988 0.123 -3.146 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.479 0.952 -4.643 1.00 0.00 H new ATOM 474 N GLU A 34 7.517 -4.021 -4.456 1.00 0.00 N ATOM 475 CA GLU A 34 7.653 -5.410 -4.851 1.00 0.00 C ATOM 476 C GLU A 34 6.282 -6.080 -4.940 1.00 0.00 C ATOM 477 O GLU A 34 5.817 -6.431 -6.025 1.00 0.00 O ATOM 478 CB GLU A 34 8.551 -6.146 -3.847 1.00 0.00 C ATOM 479 CG GLU A 34 8.612 -7.654 -4.043 1.00 0.00 C ATOM 480 CD GLU A 34 9.331 -8.074 -5.310 1.00 0.00 C ATOM 481 OE1 GLU A 34 9.035 -7.522 -6.390 1.00 0.00 O ATOM 482 OE2 GLU A 34 10.193 -8.974 -5.231 1.00 0.00 O ATOM 0 H GLU A 34 7.549 -3.868 -3.448 1.00 0.00 H new ATOM 0 HA GLU A 34 8.114 -5.455 -5.838 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.561 -5.742 -3.918 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.194 -5.937 -2.838 1.00 0.00 H new ATOM 0 HG2 GLU A 34 9.113 -8.103 -3.185 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.597 -8.051 -4.063 1.00 0.00 H new ATOM 489 N GLN A 35 5.626 -6.233 -3.798 1.00 0.00 N ATOM 490 CA GLN A 35 4.349 -6.934 -3.743 1.00 0.00 C ATOM 491 C GLN A 35 3.344 -6.163 -2.900 1.00 0.00 C ATOM 492 O GLN A 35 3.710 -5.519 -1.916 1.00 0.00 O ATOM 493 CB GLN A 35 4.529 -8.339 -3.164 1.00 0.00 C ATOM 494 CG GLN A 35 5.483 -9.213 -3.961 1.00 0.00 C ATOM 495 CD GLN A 35 5.630 -10.604 -3.379 1.00 0.00 C ATOM 496 OE1 GLN A 35 5.479 -10.807 -2.172 1.00 0.00 O ATOM 497 NE2 GLN A 35 5.940 -11.568 -4.231 1.00 0.00 N ATOM 0 H GLN A 35 5.955 -5.882 -2.899 1.00 0.00 H new ATOM 0 HA GLN A 35 3.970 -7.013 -4.762 1.00 0.00 H new ATOM 0 HB2 GLN A 35 4.896 -8.256 -2.141 1.00 0.00 H new ATOM 0 HB3 GLN A 35 3.557 -8.829 -3.115 1.00 0.00 H new ATOM 0 HG2 GLN A 35 5.126 -9.290 -4.988 1.00 0.00 H new ATOM 0 HG3 GLN A 35 6.462 -8.734 -3.998 1.00 0.00 H new ATOM 0 HE21 GLN A 35 6.055 -11.355 -5.222 1.00 0.00 H new ATOM 0 HE22 GLN A 35 6.063 -12.524 -3.897 1.00 0.00 H new ATOM 506 N VAL A 36 2.080 -6.231 -3.295 1.00 0.00 N ATOM 507 CA VAL A 36 1.011 -5.559 -2.570 1.00 0.00 C ATOM 508 C VAL A 36 -0.120 -6.538 -2.282 1.00 0.00 C ATOM 509 O VAL A 36 -0.662 -7.158 -3.197 1.00 0.00 O ATOM 510 CB VAL A 36 0.443 -4.356 -3.357 1.00 0.00 C ATOM 511 CG1 VAL A 36 -0.575 -3.597 -2.520 1.00 0.00 C ATOM 512 CG2 VAL A 36 1.557 -3.425 -3.810 1.00 0.00 C ATOM 0 H VAL A 36 1.769 -6.748 -4.118 1.00 0.00 H new ATOM 0 HA VAL A 36 1.439 -5.188 -1.639 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.058 -4.744 -4.244 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.962 -2.755 -3.093 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.396 -4.263 -2.254 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.098 -3.229 -1.612 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.130 -2.587 -4.361 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.094 -3.050 -2.939 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.247 -3.970 -4.455 1.00 0.00 H new ATOM 522 N LYS A 37 -0.460 -6.688 -1.013 1.00 0.00 N ATOM 523 CA LYS A 37 -1.553 -7.554 -0.616 1.00 0.00 C ATOM 524 C LYS A 37 -2.588 -6.772 0.187 1.00 0.00 C ATOM 525 O LYS A 37 -2.451 -6.584 1.400 1.00 0.00 O ATOM 526 CB LYS A 37 -1.021 -8.757 0.174 1.00 0.00 C ATOM 527 CG LYS A 37 0.090 -8.401 1.148 1.00 0.00 C ATOM 528 CD LYS A 37 0.644 -9.614 1.874 1.00 0.00 C ATOM 529 CE LYS A 37 -0.386 -10.241 2.796 1.00 0.00 C ATOM 530 NZ LYS A 37 0.253 -11.145 3.784 1.00 0.00 N ATOM 0 H LYS A 37 0.009 -6.218 -0.238 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.045 -7.934 -1.511 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.844 -9.212 0.725 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.653 -9.507 -0.526 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.897 -7.906 0.607 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.288 -7.687 1.879 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.976 -10.353 1.145 1.00 0.00 H new ATOM 0 HD3 LYS A 37 1.520 -9.322 2.453 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.934 -9.457 3.319 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.113 -10.799 2.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.477 -11.722 4.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.929 -11.768 3.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.755 -10.580 4.498 1.00 0.00 H new ATOM 544 N VAL A 38 -3.605 -6.291 -0.511 1.00 0.00 N ATOM 545 CA VAL A 38 -4.679 -5.534 0.110 1.00 0.00 C ATOM 546 C VAL A 38 -5.754 -6.482 0.611 1.00 0.00 C ATOM 547 O VAL A 38 -6.194 -7.369 -0.122 1.00 0.00 O ATOM 548 CB VAL A 38 -5.313 -4.541 -0.883 1.00 0.00 C ATOM 549 CG1 VAL A 38 -6.402 -3.715 -0.213 1.00 0.00 C ATOM 550 CG2 VAL A 38 -4.249 -3.645 -1.483 1.00 0.00 C ATOM 0 H VAL A 38 -3.709 -6.414 -1.518 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.253 -4.973 0.941 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.778 -5.112 -1.686 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.832 -3.023 -0.937 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.182 -4.377 0.163 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -5.973 -3.152 0.616 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.712 -2.949 -2.183 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.754 -3.086 -0.689 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.515 -4.254 -2.010 1.00 0.00 H new ATOM 560 N GLN A 39 -6.164 -6.307 1.855 1.00 0.00 N ATOM 561 CA GLN A 39 -7.187 -7.151 2.431 1.00 0.00 C ATOM 562 C GLN A 39 -8.477 -6.370 2.613 1.00 0.00 C ATOM 563 O GLN A 39 -8.502 -5.340 3.287 1.00 0.00 O ATOM 564 CB GLN A 39 -6.723 -7.727 3.771 1.00 0.00 C ATOM 565 CG GLN A 39 -5.389 -8.449 3.685 1.00 0.00 C ATOM 566 CD GLN A 39 -5.416 -9.615 2.716 1.00 0.00 C ATOM 567 OE1 GLN A 39 -6.441 -10.281 2.547 1.00 0.00 O ATOM 568 NE2 GLN A 39 -4.296 -9.855 2.056 1.00 0.00 N ATOM 0 H GLN A 39 -5.803 -5.588 2.482 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.372 -7.979 1.746 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -6.645 -6.919 4.498 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -7.479 -8.418 4.143 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.618 -7.743 3.376 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.112 -8.811 4.675 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -3.471 -9.280 2.226 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -4.257 -10.615 1.377 1.00 0.00 H new ATOM 577 N LEU A 40 -9.543 -6.874 2.015 1.00 0.00 N ATOM 578 CA LEU A 40 -10.838 -6.215 2.058 1.00 0.00 C ATOM 579 C LEU A 40 -11.543 -6.530 3.371 1.00 0.00 C ATOM 580 O LEU A 40 -12.078 -5.640 4.029 1.00 0.00 O ATOM 581 CB LEU A 40 -11.695 -6.687 0.881 1.00 0.00 C ATOM 582 CG LEU A 40 -12.588 -5.626 0.231 1.00 0.00 C ATOM 583 CD1 LEU A 40 -13.390 -6.250 -0.894 1.00 0.00 C ATOM 584 CD2 LEU A 40 -13.511 -4.972 1.249 1.00 0.00 C ATOM 0 H LEU A 40 -9.536 -7.747 1.488 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.691 -5.137 1.987 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.034 -7.094 0.116 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -12.328 -7.505 1.224 1.00 0.00 H new ATOM 0 HG LEU A 40 -11.947 -4.844 -0.176 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -14.024 -5.491 -1.353 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -12.711 -6.657 -1.643 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -14.013 -7.051 -0.496 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -14.130 -4.225 0.752 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -14.151 -5.731 1.700 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -12.915 -4.492 2.025 1.00 0.00 H new ATOM 596 N ALA A 41 -11.521 -7.806 3.744 1.00 0.00 N ATOM 597 CA ALA A 41 -12.194 -8.268 4.951 1.00 0.00 C ATOM 598 C ALA A 41 -11.664 -7.544 6.179 1.00 0.00 C ATOM 599 O ALA A 41 -12.421 -6.932 6.931 1.00 0.00 O ATOM 600 CB ALA A 41 -12.017 -9.769 5.106 1.00 0.00 C ATOM 0 H ALA A 41 -11.042 -8.541 3.224 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.257 -8.045 4.858 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.524 -10.104 6.011 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.445 -10.277 4.242 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.955 -10.005 5.177 1.00 0.00 H new ATOM 606 N GLU A 42 -10.355 -7.604 6.362 1.00 0.00 N ATOM 607 CA GLU A 42 -9.710 -6.952 7.488 1.00 0.00 C ATOM 608 C GLU A 42 -9.679 -5.439 7.290 1.00 0.00 C ATOM 609 O GLU A 42 -9.759 -4.674 8.252 1.00 0.00 O ATOM 610 CB GLU A 42 -8.288 -7.494 7.674 1.00 0.00 C ATOM 611 CG GLU A 42 -8.221 -8.904 8.257 1.00 0.00 C ATOM 612 CD GLU A 42 -8.980 -9.935 7.443 1.00 0.00 C ATOM 613 OE1 GLU A 42 -8.572 -10.216 6.299 1.00 0.00 O ATOM 614 OE2 GLU A 42 -9.988 -10.473 7.951 1.00 0.00 O ATOM 0 H GLU A 42 -9.716 -8.101 5.741 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.288 -7.169 8.387 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.781 -7.489 6.709 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.737 -6.817 8.327 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.177 -9.208 8.331 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -8.621 -8.888 9.271 1.00 0.00 H new ATOM 621 N GLY A 43 -9.599 -5.012 6.036 1.00 0.00 N ATOM 622 CA GLY A 43 -9.487 -3.600 5.743 1.00 0.00 C ATOM 623 C GLY A 43 -8.091 -3.095 6.021 1.00 0.00 C ATOM 624 O GLY A 43 -7.908 -2.013 6.572 1.00 0.00 O ATOM 0 H GLY A 43 -9.610 -5.620 5.217 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.740 -3.421 4.698 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.205 -3.043 6.345 1.00 0.00 H new ATOM 628 N THR A 44 -7.107 -3.896 5.656 1.00 0.00 N ATOM 629 CA THR A 44 -5.714 -3.552 5.863 1.00 0.00 C ATOM 630 C THR A 44 -4.910 -3.832 4.602 1.00 0.00 C ATOM 631 O THR A 44 -5.222 -4.751 3.846 1.00 0.00 O ATOM 632 CB THR A 44 -5.113 -4.345 7.044 1.00 0.00 C ATOM 633 OG1 THR A 44 -5.453 -5.733 6.922 1.00 0.00 O ATOM 634 CG2 THR A 44 -5.612 -3.812 8.380 1.00 0.00 C ATOM 0 H THR A 44 -7.251 -4.801 5.209 1.00 0.00 H new ATOM 0 HA THR A 44 -5.665 -2.489 6.098 1.00 0.00 H new ATOM 0 HB THR A 44 -4.030 -4.227 7.013 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.068 -6.231 7.673 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.170 -4.392 9.191 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.325 -2.766 8.484 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.698 -3.897 8.423 1.00 0.00 H new ATOM 642 N VAL A 45 -3.894 -3.026 4.364 1.00 0.00 N ATOM 643 CA VAL A 45 -3.028 -3.214 3.217 1.00 0.00 C ATOM 644 C VAL A 45 -1.622 -3.549 3.677 1.00 0.00 C ATOM 645 O VAL A 45 -1.005 -2.788 4.419 1.00 0.00 O ATOM 646 CB VAL A 45 -2.985 -1.961 2.316 1.00 0.00 C ATOM 647 CG1 VAL A 45 -1.996 -2.146 1.179 1.00 0.00 C ATOM 648 CG2 VAL A 45 -4.362 -1.657 1.761 1.00 0.00 C ATOM 0 H VAL A 45 -3.647 -2.231 4.953 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.437 -4.038 2.632 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.658 -1.119 2.926 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.984 -1.250 0.558 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.000 -2.318 1.587 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.293 -3.003 0.574 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.312 -0.771 1.129 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.712 -2.504 1.171 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.054 -1.477 2.584 1.00 0.00 H new ATOM 658 N GLU A 46 -1.132 -4.698 3.260 1.00 0.00 N ATOM 659 CA GLU A 46 0.233 -5.081 3.558 1.00 0.00 C ATOM 660 C GLU A 46 1.071 -4.958 2.291 1.00 0.00 C ATOM 661 O GLU A 46 0.724 -5.519 1.253 1.00 0.00 O ATOM 662 CB GLU A 46 0.269 -6.503 4.119 1.00 0.00 C ATOM 663 CG GLU A 46 1.611 -6.906 4.705 1.00 0.00 C ATOM 664 CD GLU A 46 1.513 -8.177 5.518 1.00 0.00 C ATOM 665 OE1 GLU A 46 1.149 -8.095 6.709 1.00 0.00 O ATOM 666 OE2 GLU A 46 1.772 -9.265 4.966 1.00 0.00 O ATOM 0 H GLU A 46 -1.657 -5.382 2.715 1.00 0.00 H new ATOM 0 HA GLU A 46 0.650 -4.419 4.317 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.495 -6.597 4.891 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.007 -7.202 3.325 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.332 -7.045 3.899 1.00 0.00 H new ATOM 0 HG3 GLU A 46 1.989 -6.101 5.335 1.00 0.00 H new ATOM 673 N VAL A 47 2.146 -4.194 2.362 1.00 0.00 N ATOM 674 CA VAL A 47 2.956 -3.922 1.185 1.00 0.00 C ATOM 675 C VAL A 47 4.418 -4.262 1.427 1.00 0.00 C ATOM 676 O VAL A 47 4.978 -3.939 2.474 1.00 0.00 O ATOM 677 CB VAL A 47 2.860 -2.442 0.755 1.00 0.00 C ATOM 678 CG1 VAL A 47 3.632 -2.209 -0.533 1.00 0.00 C ATOM 679 CG2 VAL A 47 1.412 -2.015 0.590 1.00 0.00 C ATOM 0 H VAL A 47 2.479 -3.751 3.219 1.00 0.00 H new ATOM 0 HA VAL A 47 2.561 -4.554 0.389 1.00 0.00 H new ATOM 0 HB VAL A 47 3.305 -1.833 1.542 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.553 -1.160 -0.820 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.680 -2.465 -0.380 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.217 -2.834 -1.324 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.373 -0.969 0.287 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.935 -2.631 -0.172 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.886 -2.138 1.537 1.00 0.00 H new ATOM 689 N THR A 48 5.025 -4.916 0.449 1.00 0.00 N ATOM 690 CA THR A 48 6.445 -5.199 0.481 1.00 0.00 C ATOM 691 C THR A 48 7.167 -4.263 -0.483 1.00 0.00 C ATOM 692 O THR A 48 6.974 -4.341 -1.698 1.00 0.00 O ATOM 693 CB THR A 48 6.727 -6.663 0.094 1.00 0.00 C ATOM 694 OG1 THR A 48 5.869 -7.532 0.844 1.00 0.00 O ATOM 695 CG2 THR A 48 8.178 -7.027 0.367 1.00 0.00 C ATOM 0 H THR A 48 4.548 -5.262 -0.383 1.00 0.00 H new ATOM 0 HA THR A 48 6.808 -5.040 1.496 1.00 0.00 H new ATOM 0 HB THR A 48 6.534 -6.780 -0.972 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.048 -8.463 0.596 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.352 -8.066 0.085 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.832 -6.379 -0.216 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.392 -6.898 1.428 1.00 0.00 H new ATOM 703 N ILE A 49 7.973 -3.362 0.059 1.00 0.00 N ATOM 704 CA ILE A 49 8.644 -2.354 -0.753 1.00 0.00 C ATOM 705 C ILE A 49 10.151 -2.434 -0.610 1.00 0.00 C ATOM 706 O ILE A 49 10.658 -2.888 0.407 1.00 0.00 O ATOM 707 CB ILE A 49 8.221 -0.926 -0.356 1.00 0.00 C ATOM 708 CG1 ILE A 49 8.596 -0.634 1.106 1.00 0.00 C ATOM 709 CG2 ILE A 49 6.732 -0.739 -0.573 1.00 0.00 C ATOM 710 CD1 ILE A 49 8.608 0.840 1.443 1.00 0.00 C ATOM 0 H ILE A 49 8.179 -3.307 1.056 1.00 0.00 H new ATOM 0 HA ILE A 49 8.350 -2.560 -1.782 1.00 0.00 H new ATOM 0 HB ILE A 49 8.756 -0.219 -0.990 1.00 0.00 H new ATOM 0 HG12 ILE A 49 7.890 -1.143 1.762 1.00 0.00 H new ATOM 0 HG13 ILE A 49 9.581 -1.053 1.311 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.447 0.274 -0.288 1.00 0.00 H new ATOM 0 HG22 ILE A 49 6.494 -0.901 -1.624 1.00 0.00 H new ATOM 0 HG23 ILE A 49 6.183 -1.455 0.038 1.00 0.00 H new ATOM 0 HD11 ILE A 49 8.881 0.972 2.490 1.00 0.00 H new ATOM 0 HD12 ILE A 49 9.335 1.352 0.812 1.00 0.00 H new ATOM 0 HD13 ILE A 49 7.617 1.261 1.270 1.00 0.00 H new ATOM 722 N ASP A 50 10.859 -1.983 -1.629 1.00 0.00 N ATOM 723 CA ASP A 50 12.293 -1.791 -1.529 1.00 0.00 C ATOM 724 C ASP A 50 12.557 -0.385 -1.014 1.00 0.00 C ATOM 725 O ASP A 50 12.511 0.589 -1.771 1.00 0.00 O ATOM 726 CB ASP A 50 12.971 -1.993 -2.882 1.00 0.00 C ATOM 727 CG ASP A 50 14.481 -1.945 -2.776 1.00 0.00 C ATOM 728 OD1 ASP A 50 15.044 -2.681 -1.943 1.00 0.00 O ATOM 729 OD2 ASP A 50 15.112 -1.184 -3.538 1.00 0.00 O ATOM 0 H ASP A 50 10.463 -1.742 -2.537 1.00 0.00 H new ATOM 0 HA ASP A 50 12.707 -2.528 -0.841 1.00 0.00 H new ATOM 0 HB2 ASP A 50 12.668 -2.953 -3.299 1.00 0.00 H new ATOM 0 HB3 ASP A 50 12.632 -1.223 -3.575 1.00 0.00 H new ATOM 734 N SER A 51 12.811 -0.280 0.281 1.00 0.00 N ATOM 735 CA SER A 51 12.888 1.013 0.943 1.00 0.00 C ATOM 736 C SER A 51 14.227 1.697 0.688 1.00 0.00 C ATOM 737 O SER A 51 14.495 2.781 1.207 1.00 0.00 O ATOM 738 CB SER A 51 12.632 0.840 2.438 1.00 0.00 C ATOM 739 OG SER A 51 11.434 0.121 2.644 1.00 0.00 O ATOM 0 H SER A 51 12.968 -1.078 0.897 1.00 0.00 H new ATOM 0 HA SER A 51 12.118 1.661 0.525 1.00 0.00 H new ATOM 0 HB2 SER A 51 13.466 0.312 2.899 1.00 0.00 H new ATOM 0 HB3 SER A 51 12.567 1.816 2.919 1.00 0.00 H new ATOM 0 HG SER A 51 10.945 0.509 3.400 1.00 0.00 H new ATOM 745 N SER A 52 15.062 1.062 -0.121 1.00 0.00 N ATOM 746 CA SER A 52 16.289 1.683 -0.584 1.00 0.00 C ATOM 747 C SER A 52 15.985 2.616 -1.750 1.00 0.00 C ATOM 748 O SER A 52 16.831 3.410 -2.170 1.00 0.00 O ATOM 749 CB SER A 52 17.294 0.614 -1.007 1.00 0.00 C ATOM 750 OG SER A 52 17.525 -0.302 0.046 1.00 0.00 O ATOM 0 H SER A 52 14.910 0.116 -0.470 1.00 0.00 H new ATOM 0 HA SER A 52 16.724 2.263 0.230 1.00 0.00 H new ATOM 0 HB2 SER A 52 16.920 0.083 -1.882 1.00 0.00 H new ATOM 0 HB3 SER A 52 18.233 1.085 -1.298 1.00 0.00 H new ATOM 0 HG SER A 52 17.132 -1.170 -0.183 1.00 0.00 H new ATOM 756 N VAL A 53 14.765 2.516 -2.262 1.00 0.00 N ATOM 757 CA VAL A 53 14.330 3.338 -3.376 1.00 0.00 C ATOM 758 C VAL A 53 13.109 4.164 -2.988 1.00 0.00 C ATOM 759 O VAL A 53 13.175 5.394 -2.942 1.00 0.00 O ATOM 760 CB VAL A 53 14.003 2.476 -4.610 1.00 0.00 C ATOM 761 CG1 VAL A 53 13.550 3.348 -5.769 1.00 0.00 C ATOM 762 CG2 VAL A 53 15.212 1.643 -5.005 1.00 0.00 C ATOM 0 H VAL A 53 14.057 1.868 -1.918 1.00 0.00 H new ATOM 0 HA VAL A 53 15.150 4.009 -3.630 1.00 0.00 H new ATOM 0 HB VAL A 53 13.186 1.801 -4.355 1.00 0.00 H new ATOM 0 HG11 VAL A 53 13.324 2.720 -6.630 1.00 0.00 H new ATOM 0 HG12 VAL A 53 12.657 3.902 -5.480 1.00 0.00 H new ATOM 0 HG13 VAL A 53 14.344 4.049 -6.029 1.00 0.00 H new ATOM 0 HG21 VAL A 53 14.968 1.038 -5.878 1.00 0.00 H new ATOM 0 HG22 VAL A 53 16.047 2.303 -5.242 1.00 0.00 H new ATOM 0 HG23 VAL A 53 15.490 0.990 -4.178 1.00 0.00 H new ATOM 772 N VAL A 54 12.009 3.490 -2.687 1.00 0.00 N ATOM 773 CA VAL A 54 10.784 4.173 -2.304 1.00 0.00 C ATOM 774 C VAL A 54 10.604 4.104 -0.787 1.00 0.00 C ATOM 775 O VAL A 54 10.935 3.094 -0.165 1.00 0.00 O ATOM 776 CB VAL A 54 9.548 3.577 -3.027 1.00 0.00 C ATOM 777 CG1 VAL A 54 9.279 2.145 -2.588 1.00 0.00 C ATOM 778 CG2 VAL A 54 8.318 4.445 -2.812 1.00 0.00 C ATOM 0 H VAL A 54 11.940 2.472 -2.701 1.00 0.00 H new ATOM 0 HA VAL A 54 10.868 5.216 -2.609 1.00 0.00 H new ATOM 0 HB VAL A 54 9.773 3.560 -4.093 1.00 0.00 H new ATOM 0 HG11 VAL A 54 8.406 1.761 -3.115 1.00 0.00 H new ATOM 0 HG12 VAL A 54 10.145 1.525 -2.819 1.00 0.00 H new ATOM 0 HG13 VAL A 54 9.093 2.122 -1.514 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.466 4.004 -3.330 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.101 4.510 -1.746 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.504 5.444 -3.206 1.00 0.00 H new ATOM 788 N THR A 55 10.118 5.181 -0.186 1.00 0.00 N ATOM 789 CA THR A 55 9.959 5.216 1.260 1.00 0.00 C ATOM 790 C THR A 55 8.525 4.874 1.655 1.00 0.00 C ATOM 791 O THR A 55 7.643 4.769 0.800 1.00 0.00 O ATOM 792 CB THR A 55 10.339 6.592 1.849 1.00 0.00 C ATOM 793 OG1 THR A 55 9.380 7.588 1.470 1.00 0.00 O ATOM 794 CG2 THR A 55 11.724 7.017 1.383 1.00 0.00 C ATOM 0 H THR A 55 9.830 6.032 -0.670 1.00 0.00 H new ATOM 0 HA THR A 55 10.638 4.469 1.671 1.00 0.00 H new ATOM 0 HB THR A 55 10.345 6.497 2.935 1.00 0.00 H new ATOM 0 HG1 THR A 55 9.063 7.407 0.561 1.00 0.00 H new ATOM 0 HG21 THR A 55 11.969 7.989 1.811 1.00 0.00 H new ATOM 0 HG22 THR A 55 12.459 6.281 1.709 1.00 0.00 H new ATOM 0 HG23 THR A 55 11.737 7.086 0.295 1.00 0.00 H new ATOM 802 N LEU A 56 8.295 4.717 2.951 1.00 0.00 N ATOM 803 CA LEU A 56 6.974 4.379 3.463 1.00 0.00 C ATOM 804 C LEU A 56 6.033 5.565 3.302 1.00 0.00 C ATOM 805 O LEU A 56 4.830 5.395 3.099 1.00 0.00 O ATOM 806 CB LEU A 56 7.041 3.971 4.943 1.00 0.00 C ATOM 807 CG LEU A 56 7.673 2.603 5.246 1.00 0.00 C ATOM 808 CD1 LEU A 56 6.991 1.510 4.440 1.00 0.00 C ATOM 809 CD2 LEU A 56 9.172 2.609 4.978 1.00 0.00 C ATOM 0 H LEU A 56 9.010 4.819 3.671 1.00 0.00 H new ATOM 0 HA LEU A 56 6.597 3.533 2.889 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.602 4.734 5.483 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.028 3.976 5.345 1.00 0.00 H new ATOM 0 HG LEU A 56 7.527 2.398 6.307 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.452 0.549 4.668 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.932 1.475 4.697 1.00 0.00 H new ATOM 0 HD13 LEU A 56 7.099 1.721 3.376 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.586 1.626 5.203 1.00 0.00 H new ATOM 0 HD22 LEU A 56 9.353 2.848 3.930 1.00 0.00 H new ATOM 0 HD23 LEU A 56 9.651 3.357 5.609 1.00 0.00 H new ATOM 821 N LYS A 57 6.596 6.767 3.381 1.00 0.00 N ATOM 822 CA LYS A 57 5.813 7.985 3.236 1.00 0.00 C ATOM 823 C LYS A 57 5.231 8.066 1.831 1.00 0.00 C ATOM 824 O LYS A 57 4.061 8.401 1.660 1.00 0.00 O ATOM 825 CB LYS A 57 6.666 9.220 3.524 1.00 0.00 C ATOM 826 CG LYS A 57 5.898 10.327 4.236 1.00 0.00 C ATOM 827 CD LYS A 57 4.748 10.867 3.396 1.00 0.00 C ATOM 828 CE LYS A 57 3.986 11.966 4.119 1.00 0.00 C ATOM 829 NZ LYS A 57 3.531 11.534 5.466 1.00 0.00 N ATOM 0 H LYS A 57 7.591 6.921 3.545 1.00 0.00 H new ATOM 0 HA LYS A 57 4.998 7.957 3.960 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.521 8.929 4.135 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.062 9.607 2.585 1.00 0.00 H new ATOM 0 HG2 LYS A 57 5.508 9.946 5.180 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.581 11.141 4.479 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.137 11.254 2.454 1.00 0.00 H new ATOM 0 HD3 LYS A 57 4.065 10.054 3.149 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.623 12.845 4.216 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.123 12.262 3.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.838 12.216 5.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.090 10.595 5.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.347 11.488 6.110 1.00 0.00 H new ATOM 843 N ASP A 58 6.049 7.735 0.833 1.00 0.00 N ATOM 844 CA ASP A 58 5.606 7.740 -0.562 1.00 0.00 C ATOM 845 C ASP A 58 4.395 6.842 -0.730 1.00 0.00 C ATOM 846 O ASP A 58 3.410 7.218 -1.365 1.00 0.00 O ATOM 847 CB ASP A 58 6.718 7.257 -1.501 1.00 0.00 C ATOM 848 CG ASP A 58 7.856 8.242 -1.639 1.00 0.00 C ATOM 849 OD1 ASP A 58 7.732 9.189 -2.443 1.00 0.00 O ATOM 850 OD2 ASP A 58 8.884 8.071 -0.953 1.00 0.00 O ATOM 0 H ASP A 58 7.022 7.460 0.964 1.00 0.00 H new ATOM 0 HA ASP A 58 5.347 8.767 -0.821 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.110 6.310 -1.131 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.293 7.063 -2.486 1.00 0.00 H new ATOM 855 N ILE A 59 4.481 5.658 -0.142 1.00 0.00 N ATOM 856 CA ILE A 59 3.404 4.684 -0.201 1.00 0.00 C ATOM 857 C ILE A 59 2.123 5.267 0.390 1.00 0.00 C ATOM 858 O ILE A 59 1.086 5.307 -0.271 1.00 0.00 O ATOM 859 CB ILE A 59 3.788 3.393 0.558 1.00 0.00 C ATOM 860 CG1 ILE A 59 5.093 2.810 -0.001 1.00 0.00 C ATOM 861 CG2 ILE A 59 2.670 2.363 0.488 1.00 0.00 C ATOM 862 CD1 ILE A 59 5.047 2.510 -1.485 1.00 0.00 C ATOM 0 H ILE A 59 5.296 5.347 0.387 1.00 0.00 H new ATOM 0 HA ILE A 59 3.233 4.436 -1.249 1.00 0.00 H new ATOM 0 HB ILE A 59 3.942 3.651 1.606 1.00 0.00 H new ATOM 0 HG12 ILE A 59 5.905 3.511 0.193 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.329 1.892 0.538 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.968 1.465 1.030 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.767 2.775 0.937 1.00 0.00 H new ATOM 0 HG23 ILE A 59 2.474 2.109 -0.554 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.006 2.101 -1.803 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.259 1.784 -1.685 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.843 3.428 -2.036 1.00 0.00 H new ATOM 874 N VAL A 60 2.214 5.743 1.627 1.00 0.00 N ATOM 875 CA VAL A 60 1.066 6.321 2.321 1.00 0.00 C ATOM 876 C VAL A 60 0.499 7.524 1.564 1.00 0.00 C ATOM 877 O VAL A 60 -0.717 7.648 1.403 1.00 0.00 O ATOM 878 CB VAL A 60 1.442 6.748 3.759 1.00 0.00 C ATOM 879 CG1 VAL A 60 0.269 7.420 4.455 1.00 0.00 C ATOM 880 CG2 VAL A 60 1.918 5.549 4.563 1.00 0.00 C ATOM 0 H VAL A 60 3.075 5.740 2.173 1.00 0.00 H new ATOM 0 HA VAL A 60 0.301 5.546 2.367 1.00 0.00 H new ATOM 0 HB VAL A 60 2.256 7.470 3.693 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.562 7.710 5.464 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.027 8.307 3.895 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.570 6.726 4.506 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.178 5.868 5.572 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.123 4.805 4.611 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.794 5.114 4.083 1.00 0.00 H new ATOM 890 N ALA A 61 1.385 8.387 1.081 1.00 0.00 N ATOM 891 CA ALA A 61 0.983 9.599 0.375 1.00 0.00 C ATOM 892 C ALA A 61 0.152 9.277 -0.861 1.00 0.00 C ATOM 893 O ALA A 61 -0.845 9.946 -1.140 1.00 0.00 O ATOM 894 CB ALA A 61 2.209 10.415 -0.009 1.00 0.00 C ATOM 0 H ALA A 61 2.395 8.269 1.166 1.00 0.00 H new ATOM 0 HA ALA A 61 0.360 10.187 1.049 1.00 0.00 H new ATOM 0 HB1 ALA A 61 1.896 11.317 -0.535 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.758 10.692 0.891 1.00 0.00 H new ATOM 0 HB3 ALA A 61 2.853 9.821 -0.658 1.00 0.00 H new ATOM 900 N VAL A 62 0.557 8.252 -1.597 1.00 0.00 N ATOM 901 CA VAL A 62 -0.161 7.853 -2.797 1.00 0.00 C ATOM 902 C VAL A 62 -1.455 7.125 -2.436 1.00 0.00 C ATOM 903 O VAL A 62 -2.469 7.263 -3.120 1.00 0.00 O ATOM 904 CB VAL A 62 0.709 6.957 -3.709 1.00 0.00 C ATOM 905 CG1 VAL A 62 -0.067 6.509 -4.940 1.00 0.00 C ATOM 906 CG2 VAL A 62 1.974 7.692 -4.125 1.00 0.00 C ATOM 0 H VAL A 62 1.377 7.683 -1.384 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.405 8.763 -3.346 1.00 0.00 H new ATOM 0 HB VAL A 62 0.987 6.070 -3.140 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.570 5.881 -5.563 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.945 5.942 -4.630 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.382 7.383 -5.510 1.00 0.00 H new ATOM 0 HG21 VAL A 62 2.575 7.047 -4.766 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.706 8.598 -4.669 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.548 7.958 -3.238 1.00 0.00 H new ATOM 916 N ILE A 63 -1.421 6.365 -1.348 1.00 0.00 N ATOM 917 CA ILE A 63 -2.594 5.629 -0.897 1.00 0.00 C ATOM 918 C ILE A 63 -3.700 6.572 -0.433 1.00 0.00 C ATOM 919 O ILE A 63 -4.849 6.442 -0.856 1.00 0.00 O ATOM 920 CB ILE A 63 -2.247 4.641 0.237 1.00 0.00 C ATOM 921 CG1 ILE A 63 -1.396 3.495 -0.310 1.00 0.00 C ATOM 922 CG2 ILE A 63 -3.513 4.105 0.894 1.00 0.00 C ATOM 923 CD1 ILE A 63 -0.967 2.500 0.744 1.00 0.00 C ATOM 0 H ILE A 63 -0.595 6.243 -0.763 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.953 5.060 -1.755 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.673 5.171 0.997 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.960 2.972 -1.083 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.509 3.909 -0.788 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.244 3.411 1.690 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -4.084 4.933 1.313 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.118 3.587 0.150 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.367 1.716 0.282 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.375 3.009 1.505 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.849 2.057 1.206 1.00 0.00 H new ATOM 935 N GLU A 64 -3.358 7.529 0.423 1.00 0.00 N ATOM 936 CA GLU A 64 -4.353 8.465 0.931 1.00 0.00 C ATOM 937 C GLU A 64 -4.873 9.346 -0.198 1.00 0.00 C ATOM 938 O GLU A 64 -6.010 9.814 -0.162 1.00 0.00 O ATOM 939 CB GLU A 64 -3.786 9.322 2.064 1.00 0.00 C ATOM 940 CG GLU A 64 -3.288 8.506 3.246 1.00 0.00 C ATOM 941 CD GLU A 64 -3.154 9.322 4.516 1.00 0.00 C ATOM 942 OE1 GLU A 64 -2.446 10.354 4.501 1.00 0.00 O ATOM 943 OE2 GLU A 64 -3.750 8.929 5.542 1.00 0.00 O ATOM 0 H GLU A 64 -2.412 7.676 0.776 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.183 7.887 1.337 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.965 9.926 1.677 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.556 10.013 2.407 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.974 7.678 3.424 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.320 8.070 2.997 1.00 0.00 H new ATOM 950 N ASP A 65 -4.040 9.529 -1.217 1.00 0.00 N ATOM 951 CA ASP A 65 -4.411 10.301 -2.399 1.00 0.00 C ATOM 952 C ASP A 65 -5.573 9.638 -3.140 1.00 0.00 C ATOM 953 O ASP A 65 -6.341 10.299 -3.839 1.00 0.00 O ATOM 954 CB ASP A 65 -3.207 10.438 -3.334 1.00 0.00 C ATOM 955 CG ASP A 65 -3.506 11.271 -4.562 1.00 0.00 C ATOM 956 OD1 ASP A 65 -3.619 12.507 -4.430 1.00 0.00 O ATOM 957 OD2 ASP A 65 -3.603 10.701 -5.671 1.00 0.00 O ATOM 0 H ASP A 65 -3.094 9.149 -1.248 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.730 11.292 -2.075 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.379 10.890 -2.788 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.880 9.446 -3.645 1.00 0.00 H new ATOM 962 N GLN A 66 -5.711 8.329 -2.959 1.00 0.00 N ATOM 963 CA GLN A 66 -6.766 7.569 -3.621 1.00 0.00 C ATOM 964 C GLN A 66 -8.089 7.722 -2.877 1.00 0.00 C ATOM 965 O GLN A 66 -9.114 7.184 -3.297 1.00 0.00 O ATOM 966 CB GLN A 66 -6.389 6.089 -3.701 1.00 0.00 C ATOM 967 CG GLN A 66 -5.007 5.842 -4.280 1.00 0.00 C ATOM 968 CD GLN A 66 -4.864 6.336 -5.705 1.00 0.00 C ATOM 969 OE1 GLN A 66 -5.817 6.322 -6.482 1.00 0.00 O ATOM 970 NE2 GLN A 66 -3.673 6.790 -6.051 1.00 0.00 N ATOM 0 H GLN A 66 -5.104 7.771 -2.358 1.00 0.00 H new ATOM 0 HA GLN A 66 -6.882 7.963 -4.631 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -6.437 5.656 -2.702 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -7.127 5.567 -4.310 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -4.264 6.336 -3.654 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -4.792 4.774 -4.248 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -2.909 6.784 -5.375 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -3.517 7.147 -6.994 1.00 0.00 H new ATOM 979 N GLY A 67 -8.059 8.451 -1.767 1.00 0.00 N ATOM 980 CA GLY A 67 -9.263 8.682 -0.997 1.00 0.00 C ATOM 981 C GLY A 67 -9.371 7.765 0.206 1.00 0.00 C ATOM 982 O GLY A 67 -10.471 7.467 0.672 1.00 0.00 O ATOM 0 H GLY A 67 -7.219 8.887 -1.387 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -9.282 9.719 -0.662 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -10.133 8.538 -1.638 1.00 0.00 H new ATOM 986 N TYR A 68 -8.234 7.312 0.714 1.00 0.00 N ATOM 987 CA TYR A 68 -8.223 6.448 1.888 1.00 0.00 C ATOM 988 C TYR A 68 -7.552 7.145 3.051 1.00 0.00 C ATOM 989 O TYR A 68 -6.667 7.975 2.863 1.00 0.00 O ATOM 990 CB TYR A 68 -7.487 5.132 1.614 1.00 0.00 C ATOM 991 CG TYR A 68 -7.993 4.382 0.405 1.00 0.00 C ATOM 992 CD1 TYR A 68 -9.233 3.753 0.423 1.00 0.00 C ATOM 993 CD2 TYR A 68 -7.228 4.291 -0.748 1.00 0.00 C ATOM 994 CE1 TYR A 68 -9.693 3.059 -0.678 1.00 0.00 C ATOM 995 CE2 TYR A 68 -7.682 3.600 -1.852 1.00 0.00 C ATOM 996 CZ TYR A 68 -8.913 2.985 -1.812 1.00 0.00 C ATOM 997 OH TYR A 68 -9.363 2.296 -2.910 1.00 0.00 O ATOM 0 H TYR A 68 -7.311 7.526 0.335 1.00 0.00 H new ATOM 0 HA TYR A 68 -9.262 6.227 2.132 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.426 5.343 1.479 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -7.576 4.489 2.490 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -9.845 3.808 1.311 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -6.260 4.769 -0.782 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -10.659 2.577 -0.651 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -7.075 3.542 -2.743 1.00 0.00 H new ATOM 0 HH TYR A 68 -8.872 1.452 -2.990 1.00 0.00 H new ATOM 1007 N ASP A 69 -7.986 6.818 4.248 1.00 0.00 N ATOM 1008 CA ASP A 69 -7.316 7.280 5.447 1.00 0.00 C ATOM 1009 C ASP A 69 -6.668 6.090 6.124 1.00 0.00 C ATOM 1010 O ASP A 69 -7.337 5.286 6.773 1.00 0.00 O ATOM 1011 CB ASP A 69 -8.295 7.985 6.388 1.00 0.00 C ATOM 1012 CG ASP A 69 -8.800 9.293 5.810 1.00 0.00 C ATOM 1013 OD1 ASP A 69 -8.104 10.322 5.957 1.00 0.00 O ATOM 1014 OD2 ASP A 69 -9.893 9.298 5.202 1.00 0.00 O ATOM 0 H ASP A 69 -8.803 6.232 4.419 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.551 8.010 5.181 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -9.141 7.328 6.589 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -7.805 8.176 7.343 1.00 0.00 H new ATOM 1019 N VAL A 70 -5.371 5.950 5.934 1.00 0.00 N ATOM 1020 CA VAL A 70 -4.681 4.754 6.373 1.00 0.00 C ATOM 1021 C VAL A 70 -3.798 5.011 7.584 1.00 0.00 C ATOM 1022 O VAL A 70 -3.299 6.120 7.791 1.00 0.00 O ATOM 1023 CB VAL A 70 -3.845 4.127 5.237 1.00 0.00 C ATOM 1024 CG1 VAL A 70 -4.758 3.526 4.183 1.00 0.00 C ATOM 1025 CG2 VAL A 70 -2.926 5.158 4.603 1.00 0.00 C ATOM 0 H VAL A 70 -4.777 6.645 5.481 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.458 4.047 6.665 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.228 3.338 5.667 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.156 3.087 3.387 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -5.378 2.753 4.637 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -5.396 4.306 3.767 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.349 4.690 3.806 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.522 5.971 4.189 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.247 5.554 5.358 1.00 0.00 H new