USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 545 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 16 THR OG1 : rot -69:sc= -1.2 USER MOD Set 1.2: A 18 GLN : amide:sc= 0 X(o=-1.2,f=-1.5) USER MOD Single : A 1 MET CE :methyl 154:sc= -0.0782 (180deg=-1.04) USER MOD Single : A 1 MET N :NH3+ -169:sc= 0.815 (180deg=0.724) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 GLN : amide:sc= -0.477 K(o=-0.48,f=-2.4!) USER MOD Single : A 11 HIS : no HD1:sc= -0.188 K(o=-0.19,f=-1.3) USER MOD Single : A 12 THR OG1 : rot 24:sc= 0.889 USER MOD Single : A 20 THR OG1 : rot -120:sc= -1.44 USER MOD Single : A 23 GLN : amide:sc= -0.0807 X(o=-0.081,f=-0.39) USER MOD Single : A 25 LYS NZ :NH3+ -176:sc= -1.12 (180deg=-1.28) USER MOD Single : A 27 HIS : no HD1:sc= -0.155 X(o=-0.16,f=0.029) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -2.47! C(o=-2.5!,f=-4.4!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -1.42! USER MOD Single : A 56 GLN : amide:sc= -0.0567 X(o=-0.057,f=-0.19) USER MOD Single : A 57 CYS SG : rot 2:sc= -4.78! USER MOD Single : A 63 THR OG1 : rot 96:sc= 0.18 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0363 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.955 -0.570 0.244 1.00 0.00 N ATOM 2 CA MET A 1 1.687 -0.377 -1.028 1.00 0.00 C ATOM 3 C MET A 1 2.832 -1.409 -1.118 1.00 0.00 C ATOM 4 O MET A 1 3.947 -1.171 -0.638 1.00 0.00 O ATOM 5 CB MET A 1 2.224 1.086 -1.134 1.00 0.00 C ATOM 6 CG MET A 1 2.848 1.450 -2.491 1.00 0.00 C ATOM 7 SD MET A 1 3.483 3.143 -2.552 1.00 0.00 S ATOM 8 CE MET A 1 5.000 3.022 -1.598 1.00 0.00 C ATOM 0 H1 MET A 1 0.078 -0.011 0.228 1.00 0.00 H new ATOM 0 H2 MET A 1 0.722 -1.577 0.361 1.00 0.00 H new ATOM 0 H3 MET A 1 1.550 -0.258 1.038 1.00 0.00 H new ATOM 0 HA MET A 1 1.010 -0.535 -1.868 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.403 1.774 -0.932 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.970 1.241 -0.354 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.660 0.756 -2.708 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.101 1.321 -3.274 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.695 3.797 -1.920 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.776 3.153 -0.539 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.451 2.042 -1.754 1.00 0.00 H new ATOM 18 N GLN A 2 2.522 -2.593 -1.670 1.00 0.00 N ATOM 19 CA GLN A 2 3.506 -3.676 -1.845 1.00 0.00 C ATOM 20 C GLN A 2 4.386 -3.380 -3.063 1.00 0.00 C ATOM 21 O GLN A 2 3.858 -3.071 -4.123 1.00 0.00 O ATOM 22 CB GLN A 2 2.789 -5.040 -2.037 1.00 0.00 C ATOM 23 CG GLN A 2 3.750 -6.225 -2.275 1.00 0.00 C ATOM 24 CD GLN A 2 3.045 -7.530 -2.627 1.00 0.00 C ATOM 25 OE1 GLN A 2 2.775 -7.800 -3.792 1.00 0.00 O ATOM 26 NE2 GLN A 2 2.743 -8.343 -1.629 1.00 0.00 N ATOM 0 H GLN A 2 1.588 -2.827 -2.006 1.00 0.00 H new ATOM 0 HA GLN A 2 4.126 -3.732 -0.950 1.00 0.00 H new ATOM 0 HB2 GLN A 2 2.183 -5.248 -1.155 1.00 0.00 H new ATOM 0 HB3 GLN A 2 2.105 -4.964 -2.883 1.00 0.00 H new ATOM 0 HG2 GLN A 2 4.438 -5.966 -3.080 1.00 0.00 H new ATOM 0 HG3 GLN A 2 4.351 -6.378 -1.379 1.00 0.00 H new ATOM 0 HE21 GLN A 2 2.983 -8.086 -0.671 1.00 0.00 H new ATOM 0 HE22 GLN A 2 2.270 -9.227 -1.817 1.00 0.00 H new ATOM 35 N LEU A 3 5.711 -3.494 -2.903 1.00 0.00 N ATOM 36 CA LEU A 3 6.687 -3.342 -3.995 1.00 0.00 C ATOM 37 C LEU A 3 7.829 -4.358 -3.825 1.00 0.00 C ATOM 38 O LEU A 3 7.996 -4.942 -2.760 1.00 0.00 O ATOM 39 CB LEU A 3 7.199 -1.861 -4.087 1.00 0.00 C ATOM 40 CG LEU A 3 7.800 -1.180 -2.794 1.00 0.00 C ATOM 41 CD1 LEU A 3 9.191 -1.734 -2.400 1.00 0.00 C ATOM 42 CD2 LEU A 3 7.858 0.357 -2.972 1.00 0.00 C ATOM 0 H LEU A 3 6.143 -3.697 -2.001 1.00 0.00 H new ATOM 0 HA LEU A 3 6.200 -3.557 -4.946 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.962 -1.824 -4.864 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.367 -1.245 -4.428 1.00 0.00 H new ATOM 0 HG LEU A 3 7.128 -1.427 -1.972 1.00 0.00 H new ATOM 0 HD11 LEU A 3 9.546 -1.224 -1.505 1.00 0.00 H new ATOM 0 HD12 LEU A 3 9.114 -2.803 -2.202 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.894 -1.566 -3.216 1.00 0.00 H new ATOM 0 HD21 LEU A 3 8.274 0.812 -2.073 1.00 0.00 H new ATOM 0 HD22 LEU A 3 8.488 0.601 -3.827 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.852 0.742 -3.141 1.00 0.00 H new ATOM 54 N PHE A 4 8.627 -4.531 -4.878 1.00 0.00 N ATOM 55 CA PHE A 4 9.732 -5.505 -4.919 1.00 0.00 C ATOM 56 C PHE A 4 11.065 -4.784 -4.710 1.00 0.00 C ATOM 57 O PHE A 4 11.285 -3.687 -5.235 1.00 0.00 O ATOM 58 CB PHE A 4 9.730 -6.270 -6.268 1.00 0.00 C ATOM 59 CG PHE A 4 8.391 -6.934 -6.579 1.00 0.00 C ATOM 60 CD1 PHE A 4 8.082 -8.190 -6.063 1.00 0.00 C ATOM 61 CD2 PHE A 4 7.441 -6.291 -7.371 1.00 0.00 C ATOM 62 CE1 PHE A 4 6.869 -8.785 -6.336 1.00 0.00 C ATOM 63 CE2 PHE A 4 6.232 -6.886 -7.641 1.00 0.00 C ATOM 64 CZ PHE A 4 5.943 -8.133 -7.125 1.00 0.00 C ATOM 0 H PHE A 4 8.528 -3.995 -5.740 1.00 0.00 H new ATOM 0 HA PHE A 4 9.595 -6.231 -4.118 1.00 0.00 H new ATOM 0 HB2 PHE A 4 9.981 -5.578 -7.072 1.00 0.00 H new ATOM 0 HB3 PHE A 4 10.510 -7.031 -6.248 1.00 0.00 H new ATOM 0 HD1 PHE A 4 8.801 -8.704 -5.442 1.00 0.00 H new ATOM 0 HD2 PHE A 4 7.658 -5.314 -7.777 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.643 -9.761 -5.933 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.507 -6.377 -8.258 1.00 0.00 H new ATOM 0 HZ PHE A 4 4.992 -8.599 -7.339 1.00 0.00 H new ATOM 74 N VAL A 5 11.928 -5.387 -3.897 1.00 0.00 N ATOM 75 CA VAL A 5 13.305 -4.940 -3.697 1.00 0.00 C ATOM 76 C VAL A 5 14.241 -6.058 -4.181 1.00 0.00 C ATOM 77 O VAL A 5 14.247 -7.173 -3.633 1.00 0.00 O ATOM 78 CB VAL A 5 13.590 -4.576 -2.193 1.00 0.00 C ATOM 79 CG1 VAL A 5 15.080 -4.214 -1.977 1.00 0.00 C ATOM 80 CG2 VAL A 5 12.672 -3.414 -1.712 1.00 0.00 C ATOM 0 H VAL A 5 11.687 -6.213 -3.350 1.00 0.00 H new ATOM 0 HA VAL A 5 13.477 -4.029 -4.270 1.00 0.00 H new ATOM 0 HB VAL A 5 13.364 -5.459 -1.595 1.00 0.00 H new ATOM 0 HG11 VAL A 5 15.246 -3.967 -0.928 1.00 0.00 H new ATOM 0 HG12 VAL A 5 15.705 -5.064 -2.253 1.00 0.00 H new ATOM 0 HG13 VAL A 5 15.340 -3.356 -2.597 1.00 0.00 H new ATOM 0 HG21 VAL A 5 12.892 -3.185 -0.669 1.00 0.00 H new ATOM 0 HG22 VAL A 5 12.853 -2.530 -2.324 1.00 0.00 H new ATOM 0 HG23 VAL A 5 11.628 -3.713 -1.806 1.00 0.00 H new ATOM 90 N ARG A 6 14.990 -5.741 -5.239 1.00 0.00 N ATOM 91 CA ARG A 6 15.936 -6.647 -5.877 1.00 0.00 C ATOM 92 C ARG A 6 17.243 -6.669 -5.074 1.00 0.00 C ATOM 93 O ARG A 6 18.115 -5.820 -5.249 1.00 0.00 O ATOM 94 CB ARG A 6 16.177 -6.191 -7.349 1.00 0.00 C ATOM 95 CG ARG A 6 17.241 -7.001 -8.126 1.00 0.00 C ATOM 96 CD ARG A 6 17.477 -6.450 -9.536 1.00 0.00 C ATOM 97 NE ARG A 6 18.572 -7.147 -10.234 1.00 0.00 N ATOM 98 CZ ARG A 6 18.426 -8.010 -11.251 1.00 0.00 C ATOM 99 NH1 ARG A 6 17.223 -8.313 -11.720 1.00 0.00 N ATOM 100 NH2 ARG A 6 19.491 -8.570 -11.799 1.00 0.00 N ATOM 0 H ARG A 6 14.952 -4.824 -5.684 1.00 0.00 H new ATOM 0 HA ARG A 6 15.534 -7.660 -5.897 1.00 0.00 H new ATOM 0 HB2 ARG A 6 15.232 -6.251 -7.890 1.00 0.00 H new ATOM 0 HB3 ARG A 6 16.475 -5.143 -7.343 1.00 0.00 H new ATOM 0 HG2 ARG A 6 18.180 -6.989 -7.572 1.00 0.00 H new ATOM 0 HG3 ARG A 6 16.924 -8.042 -8.193 1.00 0.00 H new ATOM 0 HD2 ARG A 6 16.560 -6.544 -10.118 1.00 0.00 H new ATOM 0 HD3 ARG A 6 17.708 -5.387 -9.474 1.00 0.00 H new ATOM 0 HE ARG A 6 19.523 -6.957 -9.917 1.00 0.00 H new ATOM 0 HH11 ARG A 6 16.393 -7.888 -11.307 1.00 0.00 H new ATOM 0 HH12 ARG A 6 17.128 -8.971 -12.494 1.00 0.00 H new ATOM 0 HH21 ARG A 6 20.422 -8.346 -11.449 1.00 0.00 H new ATOM 0 HH22 ARG A 6 19.381 -9.226 -12.572 1.00 0.00 H new ATOM 114 N ALA A 7 17.314 -7.623 -4.150 1.00 0.00 N ATOM 115 CA ALA A 7 18.538 -7.996 -3.435 1.00 0.00 C ATOM 116 C ALA A 7 19.140 -9.225 -4.131 1.00 0.00 C ATOM 117 O ALA A 7 18.640 -9.637 -5.186 1.00 0.00 O ATOM 118 CB ALA A 7 18.229 -8.266 -1.944 1.00 0.00 C ATOM 0 H ALA A 7 16.503 -8.174 -3.868 1.00 0.00 H new ATOM 0 HA ALA A 7 19.263 -7.183 -3.461 1.00 0.00 H new ATOM 0 HB1 ALA A 7 19.148 -8.542 -1.426 1.00 0.00 H new ATOM 0 HB2 ALA A 7 17.813 -7.367 -1.490 1.00 0.00 H new ATOM 0 HB3 ALA A 7 17.509 -9.080 -1.863 1.00 0.00 H new ATOM 124 N GLN A 8 20.249 -9.763 -3.589 1.00 0.00 N ATOM 125 CA GLN A 8 20.817 -11.064 -4.033 1.00 0.00 C ATOM 126 C GLN A 8 19.708 -12.159 -4.146 1.00 0.00 C ATOM 127 O GLN A 8 19.778 -13.044 -5.000 1.00 0.00 O ATOM 128 CB GLN A 8 21.929 -11.519 -3.051 1.00 0.00 C ATOM 129 CG GLN A 8 21.451 -11.764 -1.600 1.00 0.00 C ATOM 130 CD GLN A 8 22.544 -12.240 -0.638 1.00 0.00 C ATOM 131 OE1 GLN A 8 22.494 -11.947 0.550 1.00 0.00 O ATOM 132 NE2 GLN A 8 23.522 -12.989 -1.125 1.00 0.00 N ATOM 0 H GLN A 8 20.777 -9.319 -2.838 1.00 0.00 H new ATOM 0 HA GLN A 8 21.250 -10.926 -5.024 1.00 0.00 H new ATOM 0 HB2 GLN A 8 22.377 -12.437 -3.431 1.00 0.00 H new ATOM 0 HB3 GLN A 8 22.714 -10.763 -3.037 1.00 0.00 H new ATOM 0 HG2 GLN A 8 21.022 -10.840 -1.212 1.00 0.00 H new ATOM 0 HG3 GLN A 8 20.652 -12.505 -1.615 1.00 0.00 H new ATOM 0 HE21 GLN A 8 23.542 -13.219 -2.118 1.00 0.00 H new ATOM 0 HE22 GLN A 8 24.255 -13.335 -0.507 1.00 0.00 H new ATOM 141 N GLU A 9 18.695 -12.054 -3.259 1.00 0.00 N ATOM 142 CA GLU A 9 17.401 -12.746 -3.368 1.00 0.00 C ATOM 143 C GLU A 9 16.313 -11.685 -3.618 1.00 0.00 C ATOM 144 O GLU A 9 16.345 -10.618 -2.990 1.00 0.00 O ATOM 145 CB GLU A 9 17.097 -13.527 -2.063 1.00 0.00 C ATOM 146 CG GLU A 9 18.093 -14.652 -1.747 1.00 0.00 C ATOM 147 CD GLU A 9 17.734 -15.412 -0.459 1.00 0.00 C ATOM 148 OE1 GLU A 9 16.670 -16.070 -0.428 1.00 0.00 O ATOM 149 OE2 GLU A 9 18.509 -15.363 0.521 1.00 0.00 O ATOM 0 H GLU A 9 18.761 -11.469 -2.426 1.00 0.00 H new ATOM 0 HA GLU A 9 17.426 -13.461 -4.190 1.00 0.00 H new ATOM 0 HB2 GLU A 9 17.085 -12.825 -1.229 1.00 0.00 H new ATOM 0 HB3 GLU A 9 16.097 -13.954 -2.135 1.00 0.00 H new ATOM 0 HG2 GLU A 9 18.122 -15.352 -2.582 1.00 0.00 H new ATOM 0 HG3 GLU A 9 19.093 -14.230 -1.649 1.00 0.00 H new ATOM 156 N LEU A 10 15.375 -11.963 -4.539 1.00 0.00 N ATOM 157 CA LEU A 10 14.240 -11.053 -4.818 1.00 0.00 C ATOM 158 C LEU A 10 13.282 -11.103 -3.614 1.00 0.00 C ATOM 159 O LEU A 10 12.755 -12.162 -3.280 1.00 0.00 O ATOM 160 CB LEU A 10 13.521 -11.450 -6.162 1.00 0.00 C ATOM 161 CG LEU A 10 12.484 -10.432 -6.796 1.00 0.00 C ATOM 162 CD1 LEU A 10 11.142 -10.359 -6.032 1.00 0.00 C ATOM 163 CD2 LEU A 10 13.112 -9.028 -6.956 1.00 0.00 C ATOM 0 H LEU A 10 15.376 -12.811 -5.106 1.00 0.00 H new ATOM 0 HA LEU A 10 14.595 -10.031 -4.951 1.00 0.00 H new ATOM 0 HB2 LEU A 10 14.293 -11.643 -6.907 1.00 0.00 H new ATOM 0 HB3 LEU A 10 12.999 -12.392 -5.993 1.00 0.00 H new ATOM 0 HG LEU A 10 12.244 -10.823 -7.785 1.00 0.00 H new ATOM 0 HD11 LEU A 10 10.483 -9.643 -6.523 1.00 0.00 H new ATOM 0 HD12 LEU A 10 10.672 -11.342 -6.028 1.00 0.00 H new ATOM 0 HD13 LEU A 10 11.324 -10.040 -5.006 1.00 0.00 H new ATOM 0 HD21 LEU A 10 12.379 -8.349 -7.393 1.00 0.00 H new ATOM 0 HD22 LEU A 10 13.417 -8.652 -5.979 1.00 0.00 H new ATOM 0 HD23 LEU A 10 13.983 -9.091 -7.609 1.00 0.00 H new ATOM 175 N HIS A 11 13.085 -9.949 -2.963 1.00 0.00 N ATOM 176 CA HIS A 11 12.146 -9.789 -1.830 1.00 0.00 C ATOM 177 C HIS A 11 11.043 -8.802 -2.208 1.00 0.00 C ATOM 178 O HIS A 11 11.174 -8.066 -3.181 1.00 0.00 O ATOM 179 CB HIS A 11 12.886 -9.317 -0.542 1.00 0.00 C ATOM 180 CG HIS A 11 13.690 -10.404 0.104 1.00 0.00 C ATOM 181 ND1 HIS A 11 13.193 -11.199 1.110 1.00 0.00 N ATOM 182 CD2 HIS A 11 14.939 -10.852 -0.140 1.00 0.00 C ATOM 183 CE1 HIS A 11 14.095 -12.092 1.451 1.00 0.00 C ATOM 184 NE2 HIS A 11 15.162 -11.907 0.702 1.00 0.00 N ATOM 0 H HIS A 11 13.575 -9.088 -3.206 1.00 0.00 H new ATOM 0 HA HIS A 11 11.699 -10.760 -1.615 1.00 0.00 H new ATOM 0 HB2 HIS A 11 13.545 -8.486 -0.792 1.00 0.00 H new ATOM 0 HB3 HIS A 11 12.155 -8.940 0.173 1.00 0.00 H new ATOM 0 HD2 HIS A 11 15.633 -10.452 -0.865 1.00 0.00 H new ATOM 0 HE1 HIS A 11 13.981 -12.848 2.214 1.00 0.00 H new ATOM 0 HE2 HIS A 11 16.017 -12.461 0.743 1.00 0.00 H new ATOM 193 N THR A 12 9.942 -8.838 -1.453 1.00 0.00 N ATOM 194 CA THR A 12 8.852 -7.866 -1.556 1.00 0.00 C ATOM 195 C THR A 12 8.524 -7.342 -0.143 1.00 0.00 C ATOM 196 O THR A 12 8.682 -8.068 0.852 1.00 0.00 O ATOM 197 CB THR A 12 7.589 -8.488 -2.252 1.00 0.00 C ATOM 198 OG1 THR A 12 6.646 -7.457 -2.557 1.00 0.00 O ATOM 199 CG2 THR A 12 6.903 -9.580 -1.403 1.00 0.00 C ATOM 0 H THR A 12 9.781 -9.553 -0.744 1.00 0.00 H new ATOM 0 HA THR A 12 9.167 -7.033 -2.184 1.00 0.00 H new ATOM 0 HB THR A 12 7.940 -8.968 -3.166 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.112 -6.597 -2.624 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.038 -9.969 -1.940 1.00 0.00 H new ATOM 0 HG22 THR A 12 7.607 -10.390 -1.214 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.579 -9.153 -0.454 1.00 0.00 H new ATOM 207 N PHE A 13 8.119 -6.065 -0.064 1.00 0.00 N ATOM 208 CA PHE A 13 7.774 -5.377 1.192 1.00 0.00 C ATOM 209 C PHE A 13 6.507 -4.542 0.962 1.00 0.00 C ATOM 210 O PHE A 13 6.436 -3.792 -0.022 1.00 0.00 O ATOM 211 CB PHE A 13 8.929 -4.440 1.651 1.00 0.00 C ATOM 212 CG PHE A 13 10.258 -5.140 1.967 1.00 0.00 C ATOM 213 CD1 PHE A 13 10.496 -5.681 3.227 1.00 0.00 C ATOM 214 CD2 PHE A 13 11.266 -5.242 1.008 1.00 0.00 C ATOM 215 CE1 PHE A 13 11.693 -6.299 3.519 1.00 0.00 C ATOM 216 CE2 PHE A 13 12.465 -5.859 1.300 1.00 0.00 C ATOM 217 CZ PHE A 13 12.680 -6.385 2.554 1.00 0.00 C ATOM 0 H PHE A 13 8.020 -5.470 -0.886 1.00 0.00 H new ATOM 0 HA PHE A 13 7.608 -6.123 1.969 1.00 0.00 H new ATOM 0 HB2 PHE A 13 9.105 -3.699 0.871 1.00 0.00 H new ATOM 0 HB3 PHE A 13 8.603 -3.898 2.539 1.00 0.00 H new ATOM 0 HD1 PHE A 13 9.732 -5.616 3.987 1.00 0.00 H new ATOM 0 HD2 PHE A 13 11.105 -4.832 0.022 1.00 0.00 H new ATOM 0 HE1 PHE A 13 11.860 -6.716 4.501 1.00 0.00 H new ATOM 0 HE2 PHE A 13 13.234 -5.929 0.545 1.00 0.00 H new ATOM 0 HZ PHE A 13 13.620 -6.865 2.784 1.00 0.00 H new ATOM 227 N GLU A 14 5.501 -4.693 1.839 1.00 0.00 N ATOM 228 CA GLU A 14 4.344 -3.798 1.857 1.00 0.00 C ATOM 229 C GLU A 14 4.670 -2.605 2.763 1.00 0.00 C ATOM 230 O GLU A 14 4.731 -2.745 3.989 1.00 0.00 O ATOM 231 CB GLU A 14 3.054 -4.500 2.349 1.00 0.00 C ATOM 232 CG GLU A 14 1.803 -3.610 2.208 1.00 0.00 C ATOM 233 CD GLU A 14 0.513 -4.233 2.773 1.00 0.00 C ATOM 234 OE1 GLU A 14 -0.129 -5.036 2.068 1.00 0.00 O ATOM 235 OE2 GLU A 14 0.135 -3.918 3.924 1.00 0.00 O ATOM 0 H GLU A 14 5.471 -5.429 2.544 1.00 0.00 H new ATOM 0 HA GLU A 14 4.149 -3.471 0.836 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.907 -5.419 1.782 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.176 -4.785 3.394 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.987 -2.663 2.715 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.651 -3.383 1.153 1.00 0.00 H new ATOM 242 N VAL A 15 4.914 -1.462 2.130 1.00 0.00 N ATOM 243 CA VAL A 15 5.235 -0.190 2.784 1.00 0.00 C ATOM 244 C VAL A 15 4.073 0.797 2.558 1.00 0.00 C ATOM 245 O VAL A 15 3.088 0.453 1.905 1.00 0.00 O ATOM 246 CB VAL A 15 6.578 0.387 2.201 1.00 0.00 C ATOM 247 CG1 VAL A 15 7.796 -0.485 2.610 1.00 0.00 C ATOM 248 CG2 VAL A 15 6.488 0.528 0.654 1.00 0.00 C ATOM 0 H VAL A 15 4.894 -1.389 1.113 1.00 0.00 H new ATOM 0 HA VAL A 15 5.368 -0.345 3.855 1.00 0.00 H new ATOM 0 HB VAL A 15 6.728 1.379 2.628 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.707 -0.058 2.190 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.875 -0.512 3.697 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.662 -1.498 2.230 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.426 0.928 0.270 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.302 -0.450 0.210 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.673 1.204 0.397 1.00 0.00 H new ATOM 258 N THR A 16 4.183 2.014 3.107 1.00 0.00 N ATOM 259 CA THR A 16 3.173 3.080 2.941 1.00 0.00 C ATOM 260 C THR A 16 3.690 4.181 1.995 1.00 0.00 C ATOM 261 O THR A 16 2.931 4.726 1.184 1.00 0.00 O ATOM 262 CB THR A 16 2.780 3.681 4.332 1.00 0.00 C ATOM 263 OG1 THR A 16 3.956 4.166 5.011 1.00 0.00 O ATOM 264 CG2 THR A 16 2.061 2.635 5.220 1.00 0.00 C ATOM 0 H THR A 16 4.977 2.293 3.683 1.00 0.00 H new ATOM 0 HA THR A 16 2.282 2.642 2.492 1.00 0.00 H new ATOM 0 HB THR A 16 2.091 4.507 4.154 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.518 3.408 5.273 1.00 0.00 H new ATOM 0 HG21 THR A 16 1.803 3.087 6.178 1.00 0.00 H new ATOM 0 HG22 THR A 16 1.152 2.297 4.721 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.721 1.784 5.387 1.00 0.00 H new ATOM 272 N GLY A 17 4.997 4.488 2.091 1.00 0.00 N ATOM 273 CA GLY A 17 5.619 5.575 1.327 1.00 0.00 C ATOM 274 C GLY A 17 6.495 6.474 2.196 1.00 0.00 C ATOM 275 O GLY A 17 7.407 7.132 1.696 1.00 0.00 O ATOM 0 H GLY A 17 5.646 3.989 2.699 1.00 0.00 H new ATOM 0 HA2 GLY A 17 6.223 5.151 0.524 1.00 0.00 H new ATOM 0 HA3 GLY A 17 4.841 6.176 0.857 1.00 0.00 H new ATOM 279 N GLN A 18 6.226 6.492 3.512 1.00 0.00 N ATOM 280 CA GLN A 18 6.930 7.380 4.468 1.00 0.00 C ATOM 281 C GLN A 18 8.289 6.795 4.920 1.00 0.00 C ATOM 282 O GLN A 18 9.099 7.503 5.535 1.00 0.00 O ATOM 283 CB GLN A 18 6.033 7.646 5.695 1.00 0.00 C ATOM 284 CG GLN A 18 5.734 6.392 6.532 1.00 0.00 C ATOM 285 CD GLN A 18 4.741 6.633 7.661 1.00 0.00 C ATOM 286 OE1 GLN A 18 4.673 7.725 8.224 1.00 0.00 O ATOM 287 NE2 GLN A 18 3.973 5.614 8.003 1.00 0.00 N ATOM 0 H GLN A 18 5.520 5.898 3.947 1.00 0.00 H new ATOM 0 HA GLN A 18 7.137 8.318 3.952 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.515 8.389 6.331 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.091 8.078 5.357 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.344 5.613 5.877 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.666 6.016 6.954 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.059 4.724 7.513 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.294 5.717 8.757 1.00 0.00 H new ATOM 296 N GLU A 19 8.518 5.502 4.618 1.00 0.00 N ATOM 297 CA GLU A 19 9.778 4.799 4.914 1.00 0.00 C ATOM 298 C GLU A 19 10.892 5.420 4.077 1.00 0.00 C ATOM 299 O GLU A 19 10.698 5.671 2.882 1.00 0.00 O ATOM 300 CB GLU A 19 9.676 3.269 4.599 1.00 0.00 C ATOM 301 CG GLU A 19 8.683 2.451 5.468 1.00 0.00 C ATOM 302 CD GLU A 19 7.193 2.842 5.299 1.00 0.00 C ATOM 303 OE1 GLU A 19 6.767 3.132 4.161 1.00 0.00 O ATOM 304 OE2 GLU A 19 6.437 2.834 6.291 1.00 0.00 O ATOM 0 H GLU A 19 7.825 4.912 4.157 1.00 0.00 H new ATOM 0 HA GLU A 19 9.991 4.903 5.978 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.390 3.154 3.553 1.00 0.00 H new ATOM 0 HB3 GLU A 19 10.668 2.830 4.709 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.796 1.394 5.226 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.958 2.569 6.516 1.00 0.00 H new ATOM 311 N THR A 20 12.025 5.708 4.705 1.00 0.00 N ATOM 312 CA THR A 20 13.190 6.225 3.995 1.00 0.00 C ATOM 313 C THR A 20 13.940 5.079 3.310 1.00 0.00 C ATOM 314 O THR A 20 13.701 3.890 3.582 1.00 0.00 O ATOM 315 CB THR A 20 14.141 7.029 4.941 1.00 0.00 C ATOM 316 OG1 THR A 20 14.627 6.180 5.997 1.00 0.00 O ATOM 317 CG2 THR A 20 13.435 8.267 5.537 1.00 0.00 C ATOM 0 H THR A 20 12.163 5.592 5.709 1.00 0.00 H new ATOM 0 HA THR A 20 12.836 6.920 3.234 1.00 0.00 H new ATOM 0 HB THR A 20 14.984 7.379 4.345 1.00 0.00 H new ATOM 0 HG1 THR A 20 14.355 6.548 6.864 1.00 0.00 H new ATOM 0 HG21 THR A 20 14.126 8.801 6.189 1.00 0.00 H new ATOM 0 HG22 THR A 20 13.114 8.926 4.730 1.00 0.00 H new ATOM 0 HG23 THR A 20 12.566 7.948 6.113 1.00 0.00 H new ATOM 325 N VAL A 21 14.847 5.447 2.403 1.00 0.00 N ATOM 326 CA VAL A 21 15.754 4.500 1.741 1.00 0.00 C ATOM 327 C VAL A 21 16.655 3.807 2.785 1.00 0.00 C ATOM 328 O VAL A 21 16.991 2.638 2.628 1.00 0.00 O ATOM 329 CB VAL A 21 16.580 5.249 0.636 1.00 0.00 C ATOM 330 CG1 VAL A 21 17.741 4.400 0.060 1.00 0.00 C ATOM 331 CG2 VAL A 21 15.630 5.732 -0.489 1.00 0.00 C ATOM 0 H VAL A 21 14.976 6.414 2.104 1.00 0.00 H new ATOM 0 HA VAL A 21 15.180 3.716 1.248 1.00 0.00 H new ATOM 0 HB VAL A 21 17.050 6.110 1.111 1.00 0.00 H new ATOM 0 HG11 VAL A 21 18.271 4.976 -0.698 1.00 0.00 H new ATOM 0 HG12 VAL A 21 18.430 4.134 0.862 1.00 0.00 H new ATOM 0 HG13 VAL A 21 17.339 3.492 -0.389 1.00 0.00 H new ATOM 0 HG21 VAL A 21 16.207 6.251 -1.254 1.00 0.00 H new ATOM 0 HG22 VAL A 21 15.127 4.873 -0.934 1.00 0.00 H new ATOM 0 HG23 VAL A 21 14.887 6.411 -0.071 1.00 0.00 H new ATOM 341 N ALA A 22 16.963 4.543 3.874 1.00 0.00 N ATOM 342 CA ALA A 22 17.689 4.021 5.046 1.00 0.00 C ATOM 343 C ALA A 22 16.915 2.861 5.712 1.00 0.00 C ATOM 344 O ALA A 22 17.510 1.850 6.089 1.00 0.00 O ATOM 345 CB ALA A 22 17.926 5.160 6.048 1.00 0.00 C ATOM 0 H ALA A 22 16.711 5.527 3.963 1.00 0.00 H new ATOM 0 HA ALA A 22 18.650 3.626 4.716 1.00 0.00 H new ATOM 0 HB1 ALA A 22 18.463 4.776 6.915 1.00 0.00 H new ATOM 0 HB2 ALA A 22 18.516 5.944 5.574 1.00 0.00 H new ATOM 0 HB3 ALA A 22 16.967 5.570 6.367 1.00 0.00 H new ATOM 351 N GLN A 23 15.568 3.014 5.826 1.00 0.00 N ATOM 352 CA GLN A 23 14.677 1.973 6.411 1.00 0.00 C ATOM 353 C GLN A 23 14.643 0.719 5.532 1.00 0.00 C ATOM 354 O GLN A 23 14.647 -0.405 6.049 1.00 0.00 O ATOM 355 CB GLN A 23 13.231 2.517 6.628 1.00 0.00 C ATOM 356 CG GLN A 23 13.175 3.730 7.569 1.00 0.00 C ATOM 357 CD GLN A 23 13.672 3.426 8.990 1.00 0.00 C ATOM 358 OE1 GLN A 23 13.499 2.320 9.497 1.00 0.00 O ATOM 359 NE2 GLN A 23 14.338 4.390 9.620 1.00 0.00 N ATOM 0 H GLN A 23 15.073 3.852 5.519 1.00 0.00 H new ATOM 0 HA GLN A 23 15.090 1.704 7.383 1.00 0.00 H new ATOM 0 HB2 GLN A 23 12.805 2.794 5.663 1.00 0.00 H new ATOM 0 HB3 GLN A 23 12.608 1.721 7.035 1.00 0.00 H new ATOM 0 HG2 GLN A 23 13.776 4.535 7.147 1.00 0.00 H new ATOM 0 HG3 GLN A 23 12.148 4.092 7.621 1.00 0.00 H new ATOM 0 HE21 GLN A 23 14.465 5.298 9.173 1.00 0.00 H new ATOM 0 HE22 GLN A 23 14.721 4.221 10.550 1.00 0.00 H new ATOM 368 N ILE A 24 14.640 0.930 4.202 1.00 0.00 N ATOM 369 CA ILE A 24 14.691 -0.166 3.209 1.00 0.00 C ATOM 370 C ILE A 24 16.016 -0.946 3.339 1.00 0.00 C ATOM 371 O ILE A 24 15.999 -2.178 3.374 1.00 0.00 O ATOM 372 CB ILE A 24 14.508 0.373 1.735 1.00 0.00 C ATOM 373 CG1 ILE A 24 13.145 1.131 1.598 1.00 0.00 C ATOM 374 CG2 ILE A 24 14.624 -0.774 0.680 1.00 0.00 C ATOM 375 CD1 ILE A 24 11.919 0.286 1.907 1.00 0.00 C ATOM 0 H ILE A 24 14.602 1.860 3.785 1.00 0.00 H new ATOM 0 HA ILE A 24 13.861 -0.841 3.417 1.00 0.00 H new ATOM 0 HB ILE A 24 15.317 1.075 1.533 1.00 0.00 H new ATOM 0 HG12 ILE A 24 13.154 1.993 2.266 1.00 0.00 H new ATOM 0 HG13 ILE A 24 13.058 1.516 0.582 1.00 0.00 H new ATOM 0 HG21 ILE A 24 14.492 -0.363 -0.321 1.00 0.00 H new ATOM 0 HG22 ILE A 24 15.607 -1.239 0.755 1.00 0.00 H new ATOM 0 HG23 ILE A 24 13.854 -1.522 0.869 1.00 0.00 H new ATOM 0 HD11 ILE A 24 11.020 0.891 1.787 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.880 -0.562 1.223 1.00 0.00 H new ATOM 0 HD13 ILE A 24 11.977 -0.078 2.933 1.00 0.00 H new ATOM 387 N LYS A 25 17.144 -0.208 3.459 1.00 0.00 N ATOM 388 CA LYS A 25 18.483 -0.804 3.677 1.00 0.00 C ATOM 389 C LYS A 25 18.484 -1.665 4.950 1.00 0.00 C ATOM 390 O LYS A 25 18.961 -2.785 4.926 1.00 0.00 O ATOM 391 CB LYS A 25 19.580 0.284 3.817 1.00 0.00 C ATOM 392 CG LYS A 25 19.776 1.182 2.581 1.00 0.00 C ATOM 393 CD LYS A 25 20.864 2.257 2.814 1.00 0.00 C ATOM 394 CE LYS A 25 20.968 3.288 1.679 1.00 0.00 C ATOM 395 NZ LYS A 25 22.123 4.202 1.881 1.00 0.00 N ATOM 0 H LYS A 25 17.152 0.811 3.408 1.00 0.00 H new ATOM 0 HA LYS A 25 18.705 -1.419 2.804 1.00 0.00 H new ATOM 0 HB2 LYS A 25 19.335 0.916 4.670 1.00 0.00 H new ATOM 0 HB3 LYS A 25 20.527 -0.205 4.044 1.00 0.00 H new ATOM 0 HG2 LYS A 25 20.052 0.566 1.725 1.00 0.00 H new ATOM 0 HG3 LYS A 25 18.833 1.668 2.333 1.00 0.00 H new ATOM 0 HD2 LYS A 25 20.653 2.778 3.748 1.00 0.00 H new ATOM 0 HD3 LYS A 25 21.829 1.764 2.935 1.00 0.00 H new ATOM 0 HE2 LYS A 25 21.073 2.772 0.725 1.00 0.00 H new ATOM 0 HE3 LYS A 25 20.047 3.869 1.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 22.126 4.927 1.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 22.044 4.661 2.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 23.008 3.658 1.838 1.00 0.00 H new ATOM 409 N ALA A 26 17.902 -1.112 6.033 1.00 0.00 N ATOM 410 CA ALA A 26 17.829 -1.758 7.363 1.00 0.00 C ATOM 411 C ALA A 26 17.081 -3.114 7.314 1.00 0.00 C ATOM 412 O ALA A 26 17.554 -4.115 7.866 1.00 0.00 O ATOM 413 CB ALA A 26 17.162 -0.803 8.381 1.00 0.00 C ATOM 0 H ALA A 26 17.463 -0.192 6.010 1.00 0.00 H new ATOM 0 HA ALA A 26 18.849 -1.969 7.684 1.00 0.00 H new ATOM 0 HB1 ALA A 26 17.113 -1.287 9.356 1.00 0.00 H new ATOM 0 HB2 ALA A 26 17.749 0.112 8.460 1.00 0.00 H new ATOM 0 HB3 ALA A 26 16.154 -0.560 8.045 1.00 0.00 H new ATOM 419 N HIS A 27 15.921 -3.145 6.620 1.00 0.00 N ATOM 420 CA HIS A 27 15.091 -4.370 6.492 1.00 0.00 C ATOM 421 C HIS A 27 15.778 -5.441 5.625 1.00 0.00 C ATOM 422 O HIS A 27 15.808 -6.620 6.003 1.00 0.00 O ATOM 423 CB HIS A 27 13.668 -4.031 5.954 1.00 0.00 C ATOM 424 CG HIS A 27 12.772 -3.443 7.012 1.00 0.00 C ATOM 425 ND1 HIS A 27 12.168 -4.219 7.973 1.00 0.00 N ATOM 426 CD2 HIS A 27 12.389 -2.168 7.270 1.00 0.00 C ATOM 427 CE1 HIS A 27 11.468 -3.454 8.780 1.00 0.00 C ATOM 428 NE2 HIS A 27 11.581 -2.203 8.376 1.00 0.00 N ATOM 0 H HIS A 27 15.535 -2.334 6.137 1.00 0.00 H new ATOM 0 HA HIS A 27 14.979 -4.791 7.491 1.00 0.00 H new ATOM 0 HB2 HIS A 27 13.755 -3.328 5.126 1.00 0.00 H new ATOM 0 HB3 HIS A 27 13.209 -4.936 5.557 1.00 0.00 H new ATOM 0 HD2 HIS A 27 12.669 -1.289 6.708 1.00 0.00 H new ATOM 0 HE1 HIS A 27 10.896 -3.792 9.631 1.00 0.00 H new ATOM 0 HE2 HIS A 27 11.140 -1.395 8.815 1.00 0.00 H new ATOM 437 N VAL A 28 16.373 -5.018 4.495 1.00 0.00 N ATOM 438 CA VAL A 28 17.108 -5.933 3.579 1.00 0.00 C ATOM 439 C VAL A 28 18.395 -6.460 4.261 1.00 0.00 C ATOM 440 O VAL A 28 18.803 -7.597 4.039 1.00 0.00 O ATOM 441 CB VAL A 28 17.450 -5.223 2.208 1.00 0.00 C ATOM 442 CG1 VAL A 28 18.222 -6.161 1.234 1.00 0.00 C ATOM 443 CG2 VAL A 28 16.157 -4.689 1.538 1.00 0.00 C ATOM 0 H VAL A 28 16.363 -4.046 4.186 1.00 0.00 H new ATOM 0 HA VAL A 28 16.459 -6.781 3.358 1.00 0.00 H new ATOM 0 HB VAL A 28 18.108 -4.384 2.434 1.00 0.00 H new ATOM 0 HG11 VAL A 28 18.434 -5.628 0.307 1.00 0.00 H new ATOM 0 HG12 VAL A 28 19.159 -6.473 1.695 1.00 0.00 H new ATOM 0 HG13 VAL A 28 17.614 -7.039 1.017 1.00 0.00 H new ATOM 0 HG21 VAL A 28 16.410 -4.203 0.596 1.00 0.00 H new ATOM 0 HG22 VAL A 28 15.477 -5.519 1.347 1.00 0.00 H new ATOM 0 HG23 VAL A 28 15.675 -3.969 2.200 1.00 0.00 H new ATOM 453 N ALA A 29 18.989 -5.622 5.125 1.00 0.00 N ATOM 454 CA ALA A 29 20.173 -5.969 5.937 1.00 0.00 C ATOM 455 C ALA A 29 19.837 -7.017 7.004 1.00 0.00 C ATOM 456 O ALA A 29 20.650 -7.878 7.307 1.00 0.00 O ATOM 457 CB ALA A 29 20.733 -4.715 6.614 1.00 0.00 C ATOM 0 H ALA A 29 18.658 -4.670 5.284 1.00 0.00 H new ATOM 0 HA ALA A 29 20.920 -6.391 5.266 1.00 0.00 H new ATOM 0 HB1 ALA A 29 21.606 -4.982 7.210 1.00 0.00 H new ATOM 0 HB2 ALA A 29 21.021 -3.989 5.854 1.00 0.00 H new ATOM 0 HB3 ALA A 29 19.971 -4.280 7.261 1.00 0.00 H new ATOM 463 N SER A 30 18.641 -6.895 7.590 1.00 0.00 N ATOM 464 CA SER A 30 18.126 -7.840 8.588 1.00 0.00 C ATOM 465 C SER A 30 17.921 -9.235 7.958 1.00 0.00 C ATOM 466 O SER A 30 18.309 -10.253 8.542 1.00 0.00 O ATOM 467 CB SER A 30 16.804 -7.299 9.180 1.00 0.00 C ATOM 468 OG SER A 30 16.283 -8.149 10.186 1.00 0.00 O ATOM 0 H SER A 30 17.997 -6.131 7.383 1.00 0.00 H new ATOM 0 HA SER A 30 18.853 -7.943 9.393 1.00 0.00 H new ATOM 0 HB2 SER A 30 16.974 -6.306 9.597 1.00 0.00 H new ATOM 0 HB3 SER A 30 16.069 -7.189 8.383 1.00 0.00 H new ATOM 0 HG SER A 30 15.449 -7.770 10.535 1.00 0.00 H new ATOM 474 N LEU A 31 17.331 -9.260 6.746 1.00 0.00 N ATOM 475 CA LEU A 31 17.020 -10.512 6.027 1.00 0.00 C ATOM 476 C LEU A 31 18.302 -11.181 5.467 1.00 0.00 C ATOM 477 O LEU A 31 18.623 -12.323 5.807 1.00 0.00 O ATOM 478 CB LEU A 31 16.016 -10.227 4.878 1.00 0.00 C ATOM 479 CG LEU A 31 14.662 -9.563 5.284 1.00 0.00 C ATOM 480 CD1 LEU A 31 13.735 -9.400 4.068 1.00 0.00 C ATOM 481 CD2 LEU A 31 13.961 -10.332 6.429 1.00 0.00 C ATOM 0 H LEU A 31 17.058 -8.417 6.240 1.00 0.00 H new ATOM 0 HA LEU A 31 16.569 -11.205 6.737 1.00 0.00 H new ATOM 0 HB2 LEU A 31 16.507 -9.583 4.148 1.00 0.00 H new ATOM 0 HB3 LEU A 31 15.797 -11.169 4.375 1.00 0.00 H new ATOM 0 HG LEU A 31 14.892 -8.567 5.663 1.00 0.00 H new ATOM 0 HD11 LEU A 31 12.801 -8.935 4.383 1.00 0.00 H new ATOM 0 HD12 LEU A 31 14.220 -8.771 3.322 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.526 -10.379 3.636 1.00 0.00 H new ATOM 0 HD21 LEU A 31 13.023 -9.836 6.680 1.00 0.00 H new ATOM 0 HD22 LEU A 31 13.757 -11.354 6.109 1.00 0.00 H new ATOM 0 HD23 LEU A 31 14.608 -10.349 7.306 1.00 0.00 H new ATOM 493 N GLU A 32 19.031 -10.431 4.627 1.00 0.00 N ATOM 494 CA GLU A 32 20.244 -10.905 3.916 1.00 0.00 C ATOM 495 C GLU A 32 21.476 -10.973 4.838 1.00 0.00 C ATOM 496 O GLU A 32 22.475 -11.584 4.474 1.00 0.00 O ATOM 497 CB GLU A 32 20.515 -9.991 2.670 1.00 0.00 C ATOM 498 CG GLU A 32 19.661 -10.298 1.407 1.00 0.00 C ATOM 499 CD GLU A 32 18.159 -10.504 1.675 1.00 0.00 C ATOM 500 OE1 GLU A 32 17.394 -9.517 1.702 1.00 0.00 O ATOM 501 OE2 GLU A 32 17.749 -11.673 1.869 1.00 0.00 O ATOM 0 H GLU A 32 18.796 -9.461 4.414 1.00 0.00 H new ATOM 0 HA GLU A 32 20.060 -11.925 3.579 1.00 0.00 H new ATOM 0 HB2 GLU A 32 20.342 -8.954 2.959 1.00 0.00 H new ATOM 0 HB3 GLU A 32 21.568 -10.076 2.403 1.00 0.00 H new ATOM 0 HG2 GLU A 32 19.780 -9.479 0.698 1.00 0.00 H new ATOM 0 HG3 GLU A 32 20.056 -11.194 0.928 1.00 0.00 H new ATOM 508 N GLY A 33 21.399 -10.344 6.024 1.00 0.00 N ATOM 509 CA GLY A 33 22.517 -10.330 6.983 1.00 0.00 C ATOM 510 C GLY A 33 23.684 -9.453 6.530 1.00 0.00 C ATOM 511 O GLY A 33 24.788 -9.563 7.062 1.00 0.00 O ATOM 0 H GLY A 33 20.572 -9.838 6.341 1.00 0.00 H new ATOM 0 HA2 GLY A 33 22.156 -9.974 7.948 1.00 0.00 H new ATOM 0 HA3 GLY A 33 22.873 -11.349 7.132 1.00 0.00 H new ATOM 515 N ILE A 34 23.417 -8.570 5.548 1.00 0.00 N ATOM 516 CA ILE A 34 24.424 -7.684 4.926 1.00 0.00 C ATOM 517 C ILE A 34 24.449 -6.317 5.637 1.00 0.00 C ATOM 518 O ILE A 34 23.604 -6.046 6.492 1.00 0.00 O ATOM 519 CB ILE A 34 24.147 -7.510 3.384 1.00 0.00 C ATOM 520 CG1 ILE A 34 22.726 -6.901 3.119 1.00 0.00 C ATOM 521 CG2 ILE A 34 24.322 -8.862 2.652 1.00 0.00 C ATOM 522 CD1 ILE A 34 22.353 -6.744 1.643 1.00 0.00 C ATOM 0 H ILE A 34 22.482 -8.449 5.158 1.00 0.00 H new ATOM 0 HA ILE A 34 25.404 -8.148 5.038 1.00 0.00 H new ATOM 0 HB ILE A 34 24.877 -6.805 2.986 1.00 0.00 H new ATOM 0 HG12 ILE A 34 21.981 -7.534 3.601 1.00 0.00 H new ATOM 0 HG13 ILE A 34 22.672 -5.923 3.598 1.00 0.00 H new ATOM 0 HG21 ILE A 34 24.128 -8.727 1.588 1.00 0.00 H new ATOM 0 HG22 ILE A 34 25.341 -9.222 2.792 1.00 0.00 H new ATOM 0 HG23 ILE A 34 23.621 -9.590 3.060 1.00 0.00 H new ATOM 0 HD11 ILE A 34 21.354 -6.316 1.564 1.00 0.00 H new ATOM 0 HD12 ILE A 34 23.070 -6.084 1.155 1.00 0.00 H new ATOM 0 HD13 ILE A 34 22.369 -7.720 1.158 1.00 0.00 H new ATOM 534 N ALA A 35 25.433 -5.474 5.286 1.00 0.00 N ATOM 535 CA ALA A 35 25.636 -4.163 5.937 1.00 0.00 C ATOM 536 C ALA A 35 24.685 -3.095 5.336 1.00 0.00 C ATOM 537 O ALA A 35 24.801 -2.784 4.150 1.00 0.00 O ATOM 538 CB ALA A 35 27.111 -3.732 5.790 1.00 0.00 C ATOM 0 H ALA A 35 26.108 -5.677 4.549 1.00 0.00 H new ATOM 0 HA ALA A 35 25.401 -4.255 6.997 1.00 0.00 H new ATOM 0 HB1 ALA A 35 27.257 -2.765 6.271 1.00 0.00 H new ATOM 0 HB2 ALA A 35 27.755 -4.473 6.262 1.00 0.00 H new ATOM 0 HB3 ALA A 35 27.363 -3.653 4.733 1.00 0.00 H new ATOM 544 N PRO A 36 23.747 -2.481 6.154 1.00 0.00 N ATOM 545 CA PRO A 36 22.824 -1.407 5.672 1.00 0.00 C ATOM 546 C PRO A 36 23.603 -0.137 5.250 1.00 0.00 C ATOM 547 O PRO A 36 23.150 0.640 4.405 1.00 0.00 O ATOM 548 CB PRO A 36 21.903 -1.136 6.897 1.00 0.00 C ATOM 549 CG PRO A 36 22.722 -1.567 8.081 1.00 0.00 C ATOM 550 CD PRO A 36 23.544 -2.753 7.606 1.00 0.00 C ATOM 0 HA PRO A 36 22.264 -1.700 4.784 1.00 0.00 H new ATOM 0 HB2 PRO A 36 21.630 -0.083 6.964 1.00 0.00 H new ATOM 0 HB3 PRO A 36 20.974 -1.702 6.829 1.00 0.00 H new ATOM 0 HG2 PRO A 36 23.366 -0.758 8.426 1.00 0.00 H new ATOM 0 HG3 PRO A 36 22.082 -1.845 8.919 1.00 0.00 H new ATOM 0 HD2 PRO A 36 24.493 -2.821 8.137 1.00 0.00 H new ATOM 0 HD3 PRO A 36 23.020 -3.695 7.768 1.00 0.00 H new ATOM 558 N GLU A 37 24.798 0.013 5.838 1.00 0.00 N ATOM 559 CA GLU A 37 25.728 1.108 5.560 1.00 0.00 C ATOM 560 C GLU A 37 26.309 0.997 4.133 1.00 0.00 C ATOM 561 O GLU A 37 26.500 2.007 3.463 1.00 0.00 O ATOM 562 CB GLU A 37 26.866 1.063 6.608 1.00 0.00 C ATOM 563 CG GLU A 37 26.391 1.136 8.068 1.00 0.00 C ATOM 564 CD GLU A 37 27.541 0.992 9.077 1.00 0.00 C ATOM 565 OE1 GLU A 37 28.181 -0.082 9.109 1.00 0.00 O ATOM 566 OE2 GLU A 37 27.803 1.932 9.854 1.00 0.00 O ATOM 0 H GLU A 37 25.150 -0.642 6.537 1.00 0.00 H new ATOM 0 HA GLU A 37 25.196 2.057 5.623 1.00 0.00 H new ATOM 0 HB2 GLU A 37 27.434 0.143 6.470 1.00 0.00 H new ATOM 0 HB3 GLU A 37 27.549 1.891 6.420 1.00 0.00 H new ATOM 0 HG2 GLU A 37 25.886 2.087 8.234 1.00 0.00 H new ATOM 0 HG3 GLU A 37 25.657 0.350 8.246 1.00 0.00 H new ATOM 573 N ASP A 38 26.544 -0.256 3.670 1.00 0.00 N ATOM 574 CA ASP A 38 27.193 -0.535 2.363 1.00 0.00 C ATOM 575 C ASP A 38 26.161 -0.532 1.215 1.00 0.00 C ATOM 576 O ASP A 38 26.517 -0.405 0.029 1.00 0.00 O ATOM 577 CB ASP A 38 27.956 -1.893 2.421 1.00 0.00 C ATOM 578 CG ASP A 38 28.773 -2.197 1.150 1.00 0.00 C ATOM 579 OD1 ASP A 38 29.619 -1.364 0.763 1.00 0.00 O ATOM 580 OD2 ASP A 38 28.598 -3.285 0.553 1.00 0.00 O ATOM 0 H ASP A 38 26.291 -1.097 4.188 1.00 0.00 H new ATOM 0 HA ASP A 38 27.911 0.260 2.161 1.00 0.00 H new ATOM 0 HB2 ASP A 38 28.626 -1.887 3.281 1.00 0.00 H new ATOM 0 HB3 ASP A 38 27.238 -2.697 2.582 1.00 0.00 H new ATOM 585 N GLN A 39 24.881 -0.641 1.586 1.00 0.00 N ATOM 586 CA GLN A 39 23.768 -0.667 0.636 1.00 0.00 C ATOM 587 C GLN A 39 23.426 0.736 0.104 1.00 0.00 C ATOM 588 O GLN A 39 23.666 1.756 0.764 1.00 0.00 O ATOM 589 CB GLN A 39 22.513 -1.286 1.302 1.00 0.00 C ATOM 590 CG GLN A 39 22.597 -2.796 1.544 1.00 0.00 C ATOM 591 CD GLN A 39 21.327 -3.346 2.186 1.00 0.00 C ATOM 592 OE1 GLN A 39 20.368 -3.657 1.493 1.00 0.00 O ATOM 593 NE2 GLN A 39 21.327 -3.517 3.494 1.00 0.00 N ATOM 0 H GLN A 39 24.588 -0.714 2.560 1.00 0.00 H new ATOM 0 HA GLN A 39 24.081 -1.279 -0.210 1.00 0.00 H new ATOM 0 HB2 GLN A 39 22.341 -0.788 2.256 1.00 0.00 H new ATOM 0 HB3 GLN A 39 21.646 -1.080 0.674 1.00 0.00 H new ATOM 0 HG2 GLN A 39 22.774 -3.305 0.597 1.00 0.00 H new ATOM 0 HG3 GLN A 39 23.451 -3.013 2.186 1.00 0.00 H new ATOM 0 HE21 GLN A 39 22.143 -3.247 4.044 1.00 0.00 H new ATOM 0 HE22 GLN A 39 20.511 -3.919 3.956 1.00 0.00 H new ATOM 602 N VAL A 40 22.880 0.735 -1.113 1.00 0.00 N ATOM 603 CA VAL A 40 22.138 1.855 -1.701 1.00 0.00 C ATOM 604 C VAL A 40 20.954 1.267 -2.484 1.00 0.00 C ATOM 605 O VAL A 40 21.034 0.146 -3.006 1.00 0.00 O ATOM 606 CB VAL A 40 23.027 2.758 -2.646 1.00 0.00 C ATOM 607 CG1 VAL A 40 23.511 1.979 -3.895 1.00 0.00 C ATOM 608 CG2 VAL A 40 22.285 4.071 -3.051 1.00 0.00 C ATOM 0 H VAL A 40 22.943 -0.069 -1.737 1.00 0.00 H new ATOM 0 HA VAL A 40 21.799 2.509 -0.898 1.00 0.00 H new ATOM 0 HB VAL A 40 23.911 3.042 -2.076 1.00 0.00 H new ATOM 0 HG11 VAL A 40 24.119 2.634 -4.519 1.00 0.00 H new ATOM 0 HG12 VAL A 40 24.107 1.122 -3.581 1.00 0.00 H new ATOM 0 HG13 VAL A 40 22.649 1.633 -4.465 1.00 0.00 H new ATOM 0 HG21 VAL A 40 22.927 4.666 -3.700 1.00 0.00 H new ATOM 0 HG22 VAL A 40 21.365 3.821 -3.580 1.00 0.00 H new ATOM 0 HG23 VAL A 40 22.044 4.644 -2.155 1.00 0.00 H new ATOM 618 N VAL A 41 19.852 2.014 -2.538 1.00 0.00 N ATOM 619 CA VAL A 41 18.677 1.646 -3.331 1.00 0.00 C ATOM 620 C VAL A 41 18.646 2.516 -4.603 1.00 0.00 C ATOM 621 O VAL A 41 18.763 3.744 -4.528 1.00 0.00 O ATOM 622 CB VAL A 41 17.367 1.809 -2.480 1.00 0.00 C ATOM 623 CG1 VAL A 41 16.108 1.463 -3.298 1.00 0.00 C ATOM 624 CG2 VAL A 41 17.440 0.949 -1.181 1.00 0.00 C ATOM 0 H VAL A 41 19.747 2.894 -2.032 1.00 0.00 H new ATOM 0 HA VAL A 41 18.736 0.598 -3.625 1.00 0.00 H new ATOM 0 HB VAL A 41 17.291 2.858 -2.194 1.00 0.00 H new ATOM 0 HG11 VAL A 41 15.223 1.588 -2.674 1.00 0.00 H new ATOM 0 HG12 VAL A 41 16.041 2.126 -4.160 1.00 0.00 H new ATOM 0 HG13 VAL A 41 16.168 0.429 -3.639 1.00 0.00 H new ATOM 0 HG21 VAL A 41 16.522 1.078 -0.607 1.00 0.00 H new ATOM 0 HG22 VAL A 41 17.558 -0.102 -1.446 1.00 0.00 H new ATOM 0 HG23 VAL A 41 18.291 1.269 -0.580 1.00 0.00 H new ATOM 634 N LEU A 42 18.524 1.853 -5.761 1.00 0.00 N ATOM 635 CA LEU A 42 18.528 2.483 -7.089 1.00 0.00 C ATOM 636 C LEU A 42 17.159 2.266 -7.742 1.00 0.00 C ATOM 637 O LEU A 42 16.751 1.121 -7.978 1.00 0.00 O ATOM 638 CB LEU A 42 19.642 1.865 -7.988 1.00 0.00 C ATOM 639 CG LEU A 42 21.105 1.885 -7.426 1.00 0.00 C ATOM 640 CD1 LEU A 42 22.095 1.246 -8.419 1.00 0.00 C ATOM 641 CD2 LEU A 42 21.554 3.313 -7.039 1.00 0.00 C ATOM 0 H LEU A 42 18.417 0.839 -5.802 1.00 0.00 H new ATOM 0 HA LEU A 42 18.728 3.549 -6.980 1.00 0.00 H new ATOM 0 HB2 LEU A 42 19.373 0.829 -8.196 1.00 0.00 H new ATOM 0 HB3 LEU A 42 19.639 2.393 -8.942 1.00 0.00 H new ATOM 0 HG LEU A 42 21.106 1.285 -6.516 1.00 0.00 H new ATOM 0 HD11 LEU A 42 23.101 1.275 -8.000 1.00 0.00 H new ATOM 0 HD12 LEU A 42 21.809 0.210 -8.603 1.00 0.00 H new ATOM 0 HD13 LEU A 42 22.077 1.800 -9.358 1.00 0.00 H new ATOM 0 HD21 LEU A 42 22.573 3.282 -6.654 1.00 0.00 H new ATOM 0 HD22 LEU A 42 21.517 3.957 -7.918 1.00 0.00 H new ATOM 0 HD23 LEU A 42 20.888 3.708 -6.272 1.00 0.00 H new ATOM 653 N LEU A 43 16.433 3.362 -8.002 1.00 0.00 N ATOM 654 CA LEU A 43 15.126 3.307 -8.674 1.00 0.00 C ATOM 655 C LEU A 43 15.344 3.430 -10.186 1.00 0.00 C ATOM 656 O LEU A 43 15.554 4.533 -10.702 1.00 0.00 O ATOM 657 CB LEU A 43 14.215 4.438 -8.132 1.00 0.00 C ATOM 658 CG LEU A 43 12.759 4.497 -8.678 1.00 0.00 C ATOM 659 CD1 LEU A 43 12.016 3.160 -8.455 1.00 0.00 C ATOM 660 CD2 LEU A 43 11.993 5.682 -8.043 1.00 0.00 C ATOM 0 H LEU A 43 16.732 4.305 -7.755 1.00 0.00 H new ATOM 0 HA LEU A 43 14.629 2.358 -8.472 1.00 0.00 H new ATOM 0 HB2 LEU A 43 14.166 4.343 -7.047 1.00 0.00 H new ATOM 0 HB3 LEU A 43 14.696 5.392 -8.347 1.00 0.00 H new ATOM 0 HG LEU A 43 12.807 4.660 -9.755 1.00 0.00 H new ATOM 0 HD11 LEU A 43 11.002 3.237 -8.848 1.00 0.00 H new ATOM 0 HD12 LEU A 43 12.546 2.359 -8.971 1.00 0.00 H new ATOM 0 HD13 LEU A 43 11.975 2.940 -7.388 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.976 5.710 -8.435 1.00 0.00 H new ATOM 0 HD22 LEU A 43 11.961 5.557 -6.961 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.501 6.615 -8.285 1.00 0.00 H new ATOM 672 N ALA A 44 15.351 2.264 -10.874 1.00 0.00 N ATOM 673 CA ALA A 44 15.604 2.162 -12.332 1.00 0.00 C ATOM 674 C ALA A 44 16.974 2.783 -12.722 1.00 0.00 C ATOM 675 O ALA A 44 17.148 3.319 -13.825 1.00 0.00 O ATOM 676 CB ALA A 44 14.432 2.789 -13.125 1.00 0.00 C ATOM 0 H ALA A 44 15.180 1.361 -10.431 1.00 0.00 H new ATOM 0 HA ALA A 44 15.660 1.106 -12.597 1.00 0.00 H new ATOM 0 HB1 ALA A 44 14.631 2.707 -14.194 1.00 0.00 H new ATOM 0 HB2 ALA A 44 13.508 2.262 -12.886 1.00 0.00 H new ATOM 0 HB3 ALA A 44 14.330 3.840 -12.854 1.00 0.00 H new ATOM 682 N GLY A 45 17.946 2.680 -11.792 1.00 0.00 N ATOM 683 CA GLY A 45 19.293 3.240 -11.974 1.00 0.00 C ATOM 684 C GLY A 45 19.551 4.478 -11.120 1.00 0.00 C ATOM 685 O GLY A 45 20.683 4.698 -10.681 1.00 0.00 O ATOM 0 H GLY A 45 17.816 2.207 -10.898 1.00 0.00 H new ATOM 0 HA2 GLY A 45 20.032 2.477 -11.729 1.00 0.00 H new ATOM 0 HA3 GLY A 45 19.434 3.495 -13.024 1.00 0.00 H new ATOM 689 N ALA A 46 18.496 5.275 -10.877 1.00 0.00 N ATOM 690 CA ALA A 46 18.604 6.570 -10.180 1.00 0.00 C ATOM 691 C ALA A 46 19.000 6.383 -8.689 1.00 0.00 C ATOM 692 O ALA A 46 18.252 5.738 -7.939 1.00 0.00 O ATOM 693 CB ALA A 46 17.279 7.339 -10.301 1.00 0.00 C ATOM 0 H ALA A 46 17.544 5.040 -11.158 1.00 0.00 H new ATOM 0 HA ALA A 46 19.396 7.149 -10.655 1.00 0.00 H new ATOM 0 HB1 ALA A 46 17.365 8.295 -9.784 1.00 0.00 H new ATOM 0 HB2 ALA A 46 17.055 7.514 -11.353 1.00 0.00 H new ATOM 0 HB3 ALA A 46 16.477 6.754 -9.851 1.00 0.00 H new ATOM 699 N PRO A 47 20.204 6.899 -8.248 1.00 0.00 N ATOM 700 CA PRO A 47 20.674 6.783 -6.842 1.00 0.00 C ATOM 701 C PRO A 47 19.757 7.517 -5.862 1.00 0.00 C ATOM 702 O PRO A 47 19.727 8.759 -5.828 1.00 0.00 O ATOM 703 CB PRO A 47 22.106 7.398 -6.862 1.00 0.00 C ATOM 704 CG PRO A 47 22.497 7.375 -8.306 1.00 0.00 C ATOM 705 CD PRO A 47 21.214 7.604 -9.075 1.00 0.00 C ATOM 0 HA PRO A 47 20.670 5.749 -6.497 1.00 0.00 H new ATOM 0 HB2 PRO A 47 22.109 8.413 -6.465 1.00 0.00 H new ATOM 0 HB3 PRO A 47 22.798 6.816 -6.253 1.00 0.00 H new ATOM 0 HG2 PRO A 47 23.231 8.150 -8.526 1.00 0.00 H new ATOM 0 HG3 PRO A 47 22.951 6.421 -8.575 1.00 0.00 H new ATOM 0 HD2 PRO A 47 20.986 8.665 -9.174 1.00 0.00 H new ATOM 0 HD3 PRO A 47 21.268 7.194 -10.084 1.00 0.00 H new ATOM 713 N LEU A 48 18.964 6.739 -5.111 1.00 0.00 N ATOM 714 CA LEU A 48 18.055 7.283 -4.103 1.00 0.00 C ATOM 715 C LEU A 48 18.841 7.653 -2.836 1.00 0.00 C ATOM 716 O LEU A 48 19.634 6.841 -2.321 1.00 0.00 O ATOM 717 CB LEU A 48 16.925 6.283 -3.762 1.00 0.00 C ATOM 718 CG LEU A 48 16.027 5.804 -4.945 1.00 0.00 C ATOM 719 CD1 LEU A 48 14.832 4.974 -4.432 1.00 0.00 C ATOM 720 CD2 LEU A 48 15.567 6.995 -5.820 1.00 0.00 C ATOM 0 H LEU A 48 18.938 5.722 -5.187 1.00 0.00 H new ATOM 0 HA LEU A 48 17.591 8.180 -4.513 1.00 0.00 H new ATOM 0 HB2 LEU A 48 17.377 5.404 -3.301 1.00 0.00 H new ATOM 0 HB3 LEU A 48 16.281 6.741 -3.011 1.00 0.00 H new ATOM 0 HG LEU A 48 16.627 5.153 -5.580 1.00 0.00 H new ATOM 0 HD11 LEU A 48 14.223 4.653 -5.277 1.00 0.00 H new ATOM 0 HD12 LEU A 48 15.200 4.099 -3.897 1.00 0.00 H new ATOM 0 HD13 LEU A 48 14.228 5.583 -3.760 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.943 6.628 -6.635 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.994 7.694 -5.211 1.00 0.00 H new ATOM 0 HD23 LEU A 48 16.439 7.503 -6.231 1.00 0.00 H new ATOM 732 N GLU A 49 18.618 8.886 -2.362 1.00 0.00 N ATOM 733 CA GLU A 49 19.217 9.393 -1.122 1.00 0.00 C ATOM 734 C GLU A 49 18.683 8.584 0.064 1.00 0.00 C ATOM 735 O GLU A 49 17.484 8.334 0.139 1.00 0.00 O ATOM 736 CB GLU A 49 18.874 10.891 -0.950 1.00 0.00 C ATOM 737 CG GLU A 49 19.311 11.782 -2.122 1.00 0.00 C ATOM 738 CD GLU A 49 18.715 13.199 -2.052 1.00 0.00 C ATOM 739 OE1 GLU A 49 17.586 13.408 -2.560 1.00 0.00 O ATOM 740 OE2 GLU A 49 19.359 14.103 -1.471 1.00 0.00 O ATOM 0 H GLU A 49 18.015 9.562 -2.830 1.00 0.00 H new ATOM 0 HA GLU A 49 20.301 9.288 -1.167 1.00 0.00 H new ATOM 0 HB2 GLU A 49 17.797 10.991 -0.816 1.00 0.00 H new ATOM 0 HB3 GLU A 49 19.344 11.256 -0.037 1.00 0.00 H new ATOM 0 HG2 GLU A 49 20.399 11.851 -2.133 1.00 0.00 H new ATOM 0 HG3 GLU A 49 19.012 11.313 -3.059 1.00 0.00 H new ATOM 747 N ASP A 50 19.582 8.182 0.967 1.00 0.00 N ATOM 748 CA ASP A 50 19.237 7.363 2.149 1.00 0.00 C ATOM 749 C ASP A 50 18.244 8.095 3.083 1.00 0.00 C ATOM 750 O ASP A 50 17.446 7.460 3.772 1.00 0.00 O ATOM 751 CB ASP A 50 20.523 6.948 2.903 1.00 0.00 C ATOM 752 CG ASP A 50 21.366 8.146 3.374 1.00 0.00 C ATOM 753 OD1 ASP A 50 22.041 8.777 2.529 1.00 0.00 O ATOM 754 OD2 ASP A 50 21.354 8.465 4.576 1.00 0.00 O ATOM 0 H ASP A 50 20.574 8.412 0.905 1.00 0.00 H new ATOM 0 HA ASP A 50 18.734 6.460 1.802 1.00 0.00 H new ATOM 0 HB2 ASP A 50 20.250 6.343 3.767 1.00 0.00 H new ATOM 0 HB3 ASP A 50 21.130 6.319 2.252 1.00 0.00 H new ATOM 759 N GLU A 51 18.285 9.438 3.049 1.00 0.00 N ATOM 760 CA GLU A 51 17.377 10.300 3.820 1.00 0.00 C ATOM 761 C GLU A 51 16.003 10.449 3.128 1.00 0.00 C ATOM 762 O GLU A 51 15.005 10.706 3.794 1.00 0.00 O ATOM 763 CB GLU A 51 18.027 11.690 4.009 1.00 0.00 C ATOM 764 CG GLU A 51 18.354 12.431 2.697 1.00 0.00 C ATOM 765 CD GLU A 51 18.997 13.803 2.941 1.00 0.00 C ATOM 766 OE1 GLU A 51 18.260 14.800 3.107 1.00 0.00 O ATOM 767 OE2 GLU A 51 20.241 13.884 3.003 1.00 0.00 O ATOM 0 H GLU A 51 18.954 9.958 2.481 1.00 0.00 H new ATOM 0 HA GLU A 51 17.207 9.833 4.790 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.358 12.311 4.604 1.00 0.00 H new ATOM 0 HB3 GLU A 51 18.946 11.571 4.582 1.00 0.00 H new ATOM 0 HG2 GLU A 51 19.027 11.820 2.096 1.00 0.00 H new ATOM 0 HG3 GLU A 51 17.439 12.560 2.119 1.00 0.00 H new ATOM 774 N ALA A 52 15.971 10.288 1.785 1.00 0.00 N ATOM 775 CA ALA A 52 14.751 10.467 0.980 1.00 0.00 C ATOM 776 C ALA A 52 13.765 9.322 1.236 1.00 0.00 C ATOM 777 O ALA A 52 14.165 8.149 1.260 1.00 0.00 O ATOM 778 CB ALA A 52 15.095 10.560 -0.517 1.00 0.00 C ATOM 0 H ALA A 52 16.790 10.031 1.235 1.00 0.00 H new ATOM 0 HA ALA A 52 14.278 11.402 1.280 1.00 0.00 H new ATOM 0 HB1 ALA A 52 14.179 10.692 -1.093 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.756 11.410 -0.686 1.00 0.00 H new ATOM 0 HB3 ALA A 52 15.594 9.644 -0.833 1.00 0.00 H new ATOM 784 N THR A 53 12.484 9.668 1.454 1.00 0.00 N ATOM 785 CA THR A 53 11.418 8.671 1.643 1.00 0.00 C ATOM 786 C THR A 53 10.981 8.107 0.284 1.00 0.00 C ATOM 787 O THR A 53 11.362 8.636 -0.769 1.00 0.00 O ATOM 788 CB THR A 53 10.171 9.262 2.397 1.00 0.00 C ATOM 789 OG1 THR A 53 9.475 10.204 1.566 1.00 0.00 O ATOM 790 CG2 THR A 53 10.568 9.939 3.720 1.00 0.00 C ATOM 0 H THR A 53 12.162 10.635 1.504 1.00 0.00 H new ATOM 0 HA THR A 53 11.828 7.874 2.264 1.00 0.00 H new ATOM 0 HB THR A 53 9.512 8.425 2.627 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.702 10.560 2.052 1.00 0.00 H new ATOM 0 HG21 THR A 53 9.677 10.334 4.209 1.00 0.00 H new ATOM 0 HG22 THR A 53 11.047 9.209 4.373 1.00 0.00 H new ATOM 0 HG23 THR A 53 11.262 10.755 3.517 1.00 0.00 H new ATOM 798 N LEU A 54 10.158 7.055 0.326 1.00 0.00 N ATOM 799 CA LEU A 54 9.615 6.398 -0.875 1.00 0.00 C ATOM 800 C LEU A 54 8.602 7.319 -1.598 1.00 0.00 C ATOM 801 O LEU A 54 8.407 7.218 -2.813 1.00 0.00 O ATOM 802 CB LEU A 54 8.976 5.051 -0.465 1.00 0.00 C ATOM 803 CG LEU A 54 9.939 4.046 0.246 1.00 0.00 C ATOM 804 CD1 LEU A 54 9.207 2.774 0.686 1.00 0.00 C ATOM 805 CD2 LEU A 54 11.181 3.717 -0.622 1.00 0.00 C ATOM 0 H LEU A 54 9.845 6.630 1.199 1.00 0.00 H new ATOM 0 HA LEU A 54 10.421 6.202 -1.583 1.00 0.00 H new ATOM 0 HB2 LEU A 54 8.134 5.253 0.197 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.572 4.573 -1.357 1.00 0.00 H new ATOM 0 HG LEU A 54 10.302 4.541 1.147 1.00 0.00 H new ATOM 0 HD11 LEU A 54 9.910 2.101 1.176 1.00 0.00 H new ATOM 0 HD12 LEU A 54 8.410 3.035 1.382 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.780 2.280 -0.187 1.00 0.00 H new ATOM 0 HD21 LEU A 54 11.822 3.015 -0.089 1.00 0.00 H new ATOM 0 HD22 LEU A 54 10.859 3.271 -1.563 1.00 0.00 H new ATOM 0 HD23 LEU A 54 11.736 4.633 -0.825 1.00 0.00 H new ATOM 817 N GLY A 55 7.991 8.230 -0.820 1.00 0.00 N ATOM 818 CA GLY A 55 7.084 9.244 -1.345 1.00 0.00 C ATOM 819 C GLY A 55 7.826 10.379 -2.045 1.00 0.00 C ATOM 820 O GLY A 55 7.359 10.902 -3.064 1.00 0.00 O ATOM 0 H GLY A 55 8.118 8.277 0.191 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.390 8.780 -2.046 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.487 9.652 -0.529 1.00 0.00 H new ATOM 824 N GLN A 56 9.008 10.750 -1.504 1.00 0.00 N ATOM 825 CA GLN A 56 9.825 11.866 -2.040 1.00 0.00 C ATOM 826 C GLN A 56 10.624 11.440 -3.282 1.00 0.00 C ATOM 827 O GLN A 56 10.811 12.246 -4.208 1.00 0.00 O ATOM 828 CB GLN A 56 10.773 12.434 -0.950 1.00 0.00 C ATOM 829 CG GLN A 56 10.042 13.007 0.284 1.00 0.00 C ATOM 830 CD GLN A 56 9.072 14.155 -0.025 1.00 0.00 C ATOM 831 OE1 GLN A 56 9.293 14.945 -0.940 1.00 0.00 O ATOM 832 NE2 GLN A 56 7.973 14.238 0.724 1.00 0.00 N ATOM 0 H GLN A 56 9.421 10.291 -0.692 1.00 0.00 H new ATOM 0 HA GLN A 56 9.136 12.654 -2.344 1.00 0.00 H new ATOM 0 HB2 GLN A 56 11.449 11.644 -0.624 1.00 0.00 H new ATOM 0 HB3 GLN A 56 11.388 13.218 -1.391 1.00 0.00 H new ATOM 0 HG2 GLN A 56 9.489 12.202 0.769 1.00 0.00 H new ATOM 0 HG3 GLN A 56 10.785 13.359 0.999 1.00 0.00 H new ATOM 0 HE21 GLN A 56 7.817 13.568 1.477 1.00 0.00 H new ATOM 0 HE22 GLN A 56 7.288 14.972 0.545 1.00 0.00 H new ATOM 841 N CYS A 57 11.081 10.173 -3.303 1.00 0.00 N ATOM 842 CA CYS A 57 11.781 9.593 -4.463 1.00 0.00 C ATOM 843 C CYS A 57 10.767 9.208 -5.564 1.00 0.00 C ATOM 844 O CYS A 57 11.129 9.083 -6.741 1.00 0.00 O ATOM 845 CB CYS A 57 12.622 8.372 -4.034 1.00 0.00 C ATOM 846 SG CYS A 57 11.676 6.982 -3.400 1.00 0.00 S ATOM 0 H CYS A 57 10.976 9.527 -2.521 1.00 0.00 H new ATOM 0 HA CYS A 57 12.460 10.342 -4.871 1.00 0.00 H new ATOM 0 HB2 CYS A 57 13.207 8.034 -4.890 1.00 0.00 H new ATOM 0 HB3 CYS A 57 13.331 8.689 -3.269 1.00 0.00 H new ATOM 0 HG CYS A 57 10.407 7.259 -3.457 1.00 0.00 H new ATOM 852 N GLY A 58 9.495 9.010 -5.155 1.00 0.00 N ATOM 853 CA GLY A 58 8.374 8.852 -6.085 1.00 0.00 C ATOM 854 C GLY A 58 8.193 7.430 -6.586 1.00 0.00 C ATOM 855 O GLY A 58 7.876 7.216 -7.763 1.00 0.00 O ATOM 0 H GLY A 58 9.225 8.957 -4.173 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.456 9.174 -5.592 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.526 9.512 -6.939 1.00 0.00 H new ATOM 859 N VAL A 59 8.396 6.452 -5.691 1.00 0.00 N ATOM 860 CA VAL A 59 8.180 5.029 -5.995 1.00 0.00 C ATOM 861 C VAL A 59 6.832 4.563 -5.397 1.00 0.00 C ATOM 862 O VAL A 59 6.387 5.067 -4.354 1.00 0.00 O ATOM 863 CB VAL A 59 9.370 4.142 -5.470 1.00 0.00 C ATOM 864 CG1 VAL A 59 9.559 4.248 -3.944 1.00 0.00 C ATOM 865 CG2 VAL A 59 9.204 2.668 -5.902 1.00 0.00 C ATOM 0 H VAL A 59 8.714 6.624 -4.737 1.00 0.00 H new ATOM 0 HA VAL A 59 8.144 4.909 -7.078 1.00 0.00 H new ATOM 0 HB VAL A 59 10.276 4.536 -5.931 1.00 0.00 H new ATOM 0 HG11 VAL A 59 10.392 3.617 -3.636 1.00 0.00 H new ATOM 0 HG12 VAL A 59 9.769 5.283 -3.674 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.650 3.919 -3.441 1.00 0.00 H new ATOM 0 HG21 VAL A 59 10.041 2.082 -5.524 1.00 0.00 H new ATOM 0 HG22 VAL A 59 8.272 2.273 -5.497 1.00 0.00 H new ATOM 0 HG23 VAL A 59 9.181 2.608 -6.990 1.00 0.00 H new ATOM 875 N GLU A 60 6.197 3.592 -6.075 1.00 0.00 N ATOM 876 CA GLU A 60 4.851 3.100 -5.739 1.00 0.00 C ATOM 877 C GLU A 60 4.791 1.557 -5.803 1.00 0.00 C ATOM 878 O GLU A 60 5.832 0.883 -5.837 1.00 0.00 O ATOM 879 CB GLU A 60 3.829 3.747 -6.706 1.00 0.00 C ATOM 880 CG GLU A 60 4.110 3.501 -8.201 1.00 0.00 C ATOM 881 CD GLU A 60 3.027 4.100 -9.109 1.00 0.00 C ATOM 882 OE1 GLU A 60 3.035 5.330 -9.327 1.00 0.00 O ATOM 883 OE2 GLU A 60 2.145 3.358 -9.582 1.00 0.00 O ATOM 0 H GLU A 60 6.609 3.122 -6.881 1.00 0.00 H new ATOM 0 HA GLU A 60 4.604 3.382 -4.715 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.835 3.367 -6.470 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.810 4.822 -6.526 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.077 3.932 -8.461 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.180 2.428 -8.383 1.00 0.00 H new ATOM 890 N ALA A 61 3.555 1.016 -5.813 1.00 0.00 N ATOM 891 CA ALA A 61 3.290 -0.430 -5.800 1.00 0.00 C ATOM 892 C ALA A 61 3.766 -1.130 -7.086 1.00 0.00 C ATOM 893 O ALA A 61 3.819 -0.517 -8.157 1.00 0.00 O ATOM 894 CB ALA A 61 1.792 -0.678 -5.580 1.00 0.00 C ATOM 0 H ALA A 61 2.706 1.581 -5.831 1.00 0.00 H new ATOM 0 HA ALA A 61 3.861 -0.861 -4.978 1.00 0.00 H new ATOM 0 HB1 ALA A 61 1.598 -1.751 -5.571 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.488 -0.246 -4.627 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.224 -0.214 -6.386 1.00 0.00 H new ATOM 900 N LEU A 62 4.155 -2.411 -6.923 1.00 0.00 N ATOM 901 CA LEU A 62 4.622 -3.323 -7.990 1.00 0.00 C ATOM 902 C LEU A 62 5.992 -2.913 -8.590 1.00 0.00 C ATOM 903 O LEU A 62 6.560 -3.662 -9.387 1.00 0.00 O ATOM 904 CB LEU A 62 3.536 -3.545 -9.107 1.00 0.00 C ATOM 905 CG LEU A 62 2.320 -4.486 -8.758 1.00 0.00 C ATOM 906 CD1 LEU A 62 2.786 -5.910 -8.390 1.00 0.00 C ATOM 907 CD2 LEU A 62 1.405 -3.893 -7.657 1.00 0.00 C ATOM 0 H LEU A 62 4.153 -2.858 -6.006 1.00 0.00 H new ATOM 0 HA LEU A 62 4.781 -4.285 -7.502 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.138 -2.570 -9.389 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.035 -3.952 -9.987 1.00 0.00 H new ATOM 0 HG LEU A 62 1.719 -4.556 -9.664 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.919 -6.528 -8.156 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.325 -6.345 -9.231 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.444 -5.865 -7.522 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.584 -4.582 -7.456 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.983 -3.742 -6.746 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.003 -2.938 -7.994 1.00 0.00 H new ATOM 919 N THR A 63 6.537 -1.759 -8.170 1.00 0.00 N ATOM 920 CA THR A 63 7.812 -1.242 -8.680 1.00 0.00 C ATOM 921 C THR A 63 8.980 -2.015 -8.029 1.00 0.00 C ATOM 922 O THR A 63 8.871 -2.447 -6.885 1.00 0.00 O ATOM 923 CB THR A 63 7.946 0.290 -8.395 1.00 0.00 C ATOM 924 OG1 THR A 63 6.724 0.962 -8.749 1.00 0.00 O ATOM 925 CG2 THR A 63 9.105 0.928 -9.185 1.00 0.00 C ATOM 0 H THR A 63 6.104 -1.160 -7.467 1.00 0.00 H new ATOM 0 HA THR A 63 7.843 -1.386 -9.760 1.00 0.00 H new ATOM 0 HB THR A 63 8.153 0.401 -7.331 1.00 0.00 H new ATOM 0 HG1 THR A 63 6.162 1.060 -7.952 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.160 1.992 -8.955 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.043 0.448 -8.906 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.933 0.796 -10.253 1.00 0.00 H new ATOM 933 N THR A 64 10.082 -2.183 -8.772 1.00 0.00 N ATOM 934 CA THR A 64 11.239 -2.990 -8.349 1.00 0.00 C ATOM 935 C THR A 64 12.489 -2.104 -8.266 1.00 0.00 C ATOM 936 O THR A 64 12.981 -1.587 -9.285 1.00 0.00 O ATOM 937 CB THR A 64 11.474 -4.185 -9.329 1.00 0.00 C ATOM 938 OG1 THR A 64 10.245 -4.915 -9.472 1.00 0.00 O ATOM 939 CG2 THR A 64 12.587 -5.139 -8.832 1.00 0.00 C ATOM 0 H THR A 64 10.198 -1.759 -9.693 1.00 0.00 H new ATOM 0 HA THR A 64 11.033 -3.404 -7.362 1.00 0.00 H new ATOM 0 HB THR A 64 11.798 -3.778 -10.287 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.380 -5.666 -10.086 1.00 0.00 H new ATOM 0 HG21 THR A 64 12.714 -5.953 -9.546 1.00 0.00 H new ATOM 0 HG22 THR A 64 13.523 -4.589 -8.739 1.00 0.00 H new ATOM 0 HG23 THR A 64 12.309 -5.548 -7.861 1.00 0.00 H new ATOM 947 N LEU A 65 12.969 -1.916 -7.028 1.00 0.00 N ATOM 948 CA LEU A 65 14.131 -1.075 -6.705 1.00 0.00 C ATOM 949 C LEU A 65 15.322 -1.993 -6.415 1.00 0.00 C ATOM 950 O LEU A 65 15.177 -2.935 -5.643 1.00 0.00 O ATOM 951 CB LEU A 65 13.848 -0.186 -5.454 1.00 0.00 C ATOM 952 CG LEU A 65 12.522 0.651 -5.448 1.00 0.00 C ATOM 953 CD1 LEU A 65 11.281 -0.220 -5.121 1.00 0.00 C ATOM 954 CD2 LEU A 65 12.625 1.858 -4.482 1.00 0.00 C ATOM 0 H LEU A 65 12.552 -2.353 -6.206 1.00 0.00 H new ATOM 0 HA LEU A 65 14.343 -0.417 -7.548 1.00 0.00 H new ATOM 0 HB2 LEU A 65 13.842 -0.832 -4.576 1.00 0.00 H new ATOM 0 HB3 LEU A 65 14.683 0.505 -5.336 1.00 0.00 H new ATOM 0 HG LEU A 65 12.386 1.036 -6.459 1.00 0.00 H new ATOM 0 HD11 LEU A 65 10.387 0.403 -5.128 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.181 -1.007 -5.869 1.00 0.00 H new ATOM 0 HD13 LEU A 65 11.402 -0.670 -4.135 1.00 0.00 H new ATOM 0 HD21 LEU A 65 11.691 2.419 -4.500 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.814 1.499 -3.470 1.00 0.00 H new ATOM 0 HD23 LEU A 65 13.443 2.506 -4.796 1.00 0.00 H new ATOM 966 N GLU A 66 16.482 -1.700 -7.004 1.00 0.00 N ATOM 967 CA GLU A 66 17.659 -2.584 -6.945 1.00 0.00 C ATOM 968 C GLU A 66 18.623 -2.161 -5.820 1.00 0.00 C ATOM 969 O GLU A 66 18.839 -0.978 -5.600 1.00 0.00 O ATOM 970 CB GLU A 66 18.369 -2.547 -8.320 1.00 0.00 C ATOM 971 CG GLU A 66 19.613 -3.440 -8.443 1.00 0.00 C ATOM 972 CD GLU A 66 20.254 -3.355 -9.836 1.00 0.00 C ATOM 973 OE1 GLU A 66 20.985 -2.379 -10.096 1.00 0.00 O ATOM 974 OE2 GLU A 66 19.992 -4.232 -10.691 1.00 0.00 O ATOM 0 H GLU A 66 16.638 -0.844 -7.537 1.00 0.00 H new ATOM 0 HA GLU A 66 17.336 -3.601 -6.721 1.00 0.00 H new ATOM 0 HB2 GLU A 66 17.653 -2.842 -9.088 1.00 0.00 H new ATOM 0 HB3 GLU A 66 18.659 -1.518 -8.533 1.00 0.00 H new ATOM 0 HG2 GLU A 66 20.344 -3.147 -7.690 1.00 0.00 H new ATOM 0 HG3 GLU A 66 19.338 -4.474 -8.234 1.00 0.00 H new ATOM 981 N VAL A 67 19.189 -3.152 -5.119 1.00 0.00 N ATOM 982 CA VAL A 67 20.215 -2.941 -4.083 1.00 0.00 C ATOM 983 C VAL A 67 21.607 -3.082 -4.722 1.00 0.00 C ATOM 984 O VAL A 67 21.888 -4.082 -5.403 1.00 0.00 O ATOM 985 CB VAL A 67 20.063 -3.962 -2.886 1.00 0.00 C ATOM 986 CG1 VAL A 67 21.162 -3.745 -1.809 1.00 0.00 C ATOM 987 CG2 VAL A 67 18.651 -3.866 -2.253 1.00 0.00 C ATOM 0 H VAL A 67 18.947 -4.133 -5.255 1.00 0.00 H new ATOM 0 HA VAL A 67 20.087 -1.940 -3.672 1.00 0.00 H new ATOM 0 HB VAL A 67 20.190 -4.965 -3.293 1.00 0.00 H new ATOM 0 HG11 VAL A 67 21.027 -4.464 -1.001 1.00 0.00 H new ATOM 0 HG12 VAL A 67 22.145 -3.885 -2.259 1.00 0.00 H new ATOM 0 HG13 VAL A 67 21.086 -2.733 -1.411 1.00 0.00 H new ATOM 0 HG21 VAL A 67 18.571 -4.578 -1.432 1.00 0.00 H new ATOM 0 HG22 VAL A 67 18.490 -2.857 -1.875 1.00 0.00 H new ATOM 0 HG23 VAL A 67 17.898 -4.096 -3.007 1.00 0.00 H new ATOM 997 N ALA A 68 22.461 -2.076 -4.497 1.00 0.00 N ATOM 998 CA ALA A 68 23.842 -2.046 -4.999 1.00 0.00 C ATOM 999 C ALA A 68 24.756 -1.351 -3.969 1.00 0.00 C ATOM 1000 O ALA A 68 24.342 -1.119 -2.821 1.00 0.00 O ATOM 1001 CB ALA A 68 23.871 -1.344 -6.371 1.00 0.00 C ATOM 0 H ALA A 68 22.210 -1.249 -3.955 1.00 0.00 H new ATOM 0 HA ALA A 68 24.218 -3.060 -5.136 1.00 0.00 H new ATOM 0 HB1 ALA A 68 24.894 -1.320 -6.746 1.00 0.00 H new ATOM 0 HB2 ALA A 68 23.240 -1.890 -7.072 1.00 0.00 H new ATOM 0 HB3 ALA A 68 23.499 -0.325 -6.266 1.00 0.00 H new ATOM 1007 N GLY A 69 26.000 -1.019 -4.376 1.00 0.00 N ATOM 1008 CA GLY A 69 26.964 -0.340 -3.499 1.00 0.00 C ATOM 1009 C GLY A 69 27.441 0.995 -4.074 1.00 0.00 C ATOM 1010 O GLY A 69 28.166 1.018 -5.066 1.00 0.00 O ATOM 0 H GLY A 69 26.356 -1.214 -5.312 1.00 0.00 H new ATOM 0 HA2 GLY A 69 26.506 -0.169 -2.525 1.00 0.00 H new ATOM 0 HA3 GLY A 69 27.824 -0.990 -3.338 1.00 0.00 H new ATOM 1014 N ARG A 70 26.985 2.105 -3.467 1.00 0.00 N ATOM 1015 CA ARG A 70 27.463 3.481 -3.761 1.00 0.00 C ATOM 1016 C ARG A 70 27.990 4.081 -2.457 1.00 0.00 C ATOM 1017 O ARG A 70 29.165 4.439 -2.338 1.00 0.00 O ATOM 1018 CB ARG A 70 26.315 4.369 -4.343 1.00 0.00 C ATOM 1019 CG ARG A 70 25.916 4.069 -5.811 1.00 0.00 C ATOM 1020 CD ARG A 70 27.017 4.452 -6.807 1.00 0.00 C ATOM 1021 NE ARG A 70 27.371 5.879 -6.689 1.00 0.00 N ATOM 1022 CZ ARG A 70 28.562 6.414 -6.967 1.00 0.00 C ATOM 1023 NH1 ARG A 70 29.550 5.675 -7.449 1.00 0.00 N ATOM 1024 NH2 ARG A 70 28.761 7.706 -6.755 1.00 0.00 N ATOM 0 H ARG A 70 26.263 2.078 -2.747 1.00 0.00 H new ATOM 0 HA ARG A 70 28.251 3.443 -4.513 1.00 0.00 H new ATOM 0 HB2 ARG A 70 25.433 4.250 -3.714 1.00 0.00 H new ATOM 0 HB3 ARG A 70 26.617 5.414 -4.274 1.00 0.00 H new ATOM 0 HG2 ARG A 70 25.691 3.007 -5.913 1.00 0.00 H new ATOM 0 HG3 ARG A 70 25.004 4.614 -6.055 1.00 0.00 H new ATOM 0 HD2 ARG A 70 27.901 3.840 -6.629 1.00 0.00 H new ATOM 0 HD3 ARG A 70 26.682 4.241 -7.822 1.00 0.00 H new ATOM 0 HE ARG A 70 26.641 6.514 -6.366 1.00 0.00 H new ATOM 0 HH11 ARG A 70 29.408 4.679 -7.614 1.00 0.00 H new ATOM 0 HH12 ARG A 70 30.453 6.102 -7.655 1.00 0.00 H new ATOM 0 HH21 ARG A 70 28.007 8.284 -6.382 1.00 0.00 H new ATOM 0 HH22 ARG A 70 29.668 8.123 -6.964 1.00 0.00 H new ATOM 1038 N MET A 71 27.085 4.169 -1.479 1.00 0.00 N ATOM 1039 CA MET A 71 27.408 4.593 -0.118 1.00 0.00 C ATOM 1040 C MET A 71 28.030 3.405 0.625 1.00 0.00 C ATOM 1041 O MET A 71 27.358 2.396 0.822 1.00 0.00 O ATOM 1042 CB MET A 71 26.127 5.092 0.604 1.00 0.00 C ATOM 1043 CG MET A 71 25.470 6.332 -0.031 1.00 0.00 C ATOM 1044 SD MET A 71 24.782 6.003 -1.671 1.00 0.00 S ATOM 1045 CE MET A 71 24.263 7.637 -2.199 1.00 0.00 C ATOM 0 H MET A 71 26.099 3.945 -1.613 1.00 0.00 H new ATOM 0 HA MET A 71 28.119 5.419 -0.139 1.00 0.00 H new ATOM 0 HB2 MET A 71 25.398 4.282 0.623 1.00 0.00 H new ATOM 0 HB3 MET A 71 26.376 5.321 1.640 1.00 0.00 H new ATOM 0 HG2 MET A 71 24.677 6.692 0.624 1.00 0.00 H new ATOM 0 HG3 MET A 71 26.209 7.130 -0.106 1.00 0.00 H new ATOM 0 HE1 MET A 71 23.822 7.575 -3.194 1.00 0.00 H new ATOM 0 HE2 MET A 71 23.525 8.028 -1.499 1.00 0.00 H new ATOM 0 HE3 MET A 71 25.126 8.302 -2.226 1.00 0.00 H new ATOM 1055 N LEU A 72 29.331 3.510 0.961 1.00 0.00 N ATOM 1056 CA LEU A 72 30.078 2.439 1.675 1.00 0.00 C ATOM 1057 C LEU A 72 29.746 2.424 3.182 1.00 0.00 C ATOM 1058 O LEU A 72 29.910 1.397 3.846 1.00 0.00 O ATOM 1059 CB LEU A 72 31.626 2.573 1.463 1.00 0.00 C ATOM 1060 CG LEU A 72 32.385 3.700 2.269 1.00 0.00 C ATOM 1061 CD1 LEU A 72 33.918 3.570 2.124 1.00 0.00 C ATOM 1062 CD2 LEU A 72 31.921 5.115 1.870 1.00 0.00 C ATOM 0 H LEU A 72 29.897 4.332 0.749 1.00 0.00 H new ATOM 0 HA LEU A 72 29.756 1.491 1.244 1.00 0.00 H new ATOM 0 HB2 LEU A 72 32.083 1.616 1.715 1.00 0.00 H new ATOM 0 HB3 LEU A 72 31.805 2.742 0.401 1.00 0.00 H new ATOM 0 HG LEU A 72 32.129 3.554 3.318 1.00 0.00 H new ATOM 0 HD11 LEU A 72 34.406 4.362 2.692 1.00 0.00 H new ATOM 0 HD12 LEU A 72 34.239 2.600 2.505 1.00 0.00 H new ATOM 0 HD13 LEU A 72 34.193 3.656 1.073 1.00 0.00 H new ATOM 0 HD21 LEU A 72 32.471 5.856 2.451 1.00 0.00 H new ATOM 0 HD22 LEU A 72 32.109 5.274 0.808 1.00 0.00 H new ATOM 0 HD23 LEU A 72 30.854 5.218 2.069 1.00 0.00 H new ATOM 1074 N GLY A 73 29.276 3.576 3.701 1.00 0.00 N ATOM 1075 CA GLY A 73 28.963 3.740 5.115 1.00 0.00 C ATOM 1076 C GLY A 73 27.956 4.858 5.347 1.00 0.00 C ATOM 1077 O GLY A 73 26.750 4.653 5.177 1.00 0.00 O ATOM 0 H GLY A 73 29.106 4.413 3.143 1.00 0.00 H new ATOM 0 HA2 GLY A 73 28.565 2.805 5.510 1.00 0.00 H new ATOM 0 HA3 GLY A 73 29.878 3.955 5.667 1.00 0.00 H new ATOM 1081 N GLY A 74 28.457 6.051 5.716 1.00 0.00 N ATOM 1082 CA GLY A 74 27.606 7.210 5.972 1.00 0.00 C ATOM 1083 C GLY A 74 28.325 8.238 6.845 1.00 0.00 C ATOM 1084 O GLY A 74 28.223 8.153 8.087 1.00 0.00 O ATOM 1085 OXT GLY A 74 29.020 9.115 6.296 1.00 0.00 O ATOM 0 H GLY A 74 29.453 6.230 5.842 1.00 0.00 H new ATOM 0 HA2 GLY A 74 27.318 7.669 5.026 1.00 0.00 H new ATOM 0 HA3 GLY A 74 26.688 6.889 6.464 1.00 0.00 H new TER 1089 GLY A 74