USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 572 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -130:sc= 0.0365 (180deg=0) USER MOD Single : A 2 SER OG : rot 139:sc= 1.58 USER MOD Single : A 5 LYS NZ :NH3+ -159:sc=-0.00453 (180deg=-0.167) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.185 X(o=-0.19,f=-0.02) USER MOD Single : A 15 SER OG : rot 180:sc= -1.07 USER MOD Single : A 18 LYS NZ :NH3+ -136:sc= 0.087 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -160:sc= -0.996 (180deg=-1.63) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.175 USER MOD Single : A 34 THR OG1 : rot 180:sc= -1.07 USER MOD Single : A 35 ASN : amide:sc= -0.18 K(o=-0.18,f=-1.3!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -1.58 K(o=-1.6,f=-4.4!) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.665 USER MOD Single : A 52 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.002) USER MOD Single : A 53 SER OG : rot -20:sc= 1.2 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0183 USER MOD Single : A 56 LYS NZ :NH3+ -167:sc= 0.227 (180deg=0.172) USER MOD Single : A 58 GLN : amide:sc= -0.608 K(o=-0.61,f=-2.5!) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.123 X(o=-0.12,f=-0.6) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.101 -17.225 5.376 1.00 0.00 N ATOM 2 CA GLY A 1 0.375 -15.854 5.417 1.00 0.00 C ATOM 3 C GLY A 1 -0.477 -14.950 4.525 1.00 0.00 C ATOM 4 O GLY A 1 -1.670 -15.194 4.346 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.216 -17.582 6.346 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.016 -17.260 4.884 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.588 -17.817 4.869 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.349 -15.487 6.443 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.415 -15.817 5.091 1.00 0.00 H new ATOM 8 N SER A 2 0.168 -13.924 3.987 1.00 0.00 N ATOM 9 CA SER A 2 -0.517 -12.983 3.117 1.00 0.00 C ATOM 10 C SER A 2 -0.812 -13.638 1.766 1.00 0.00 C ATOM 11 O SER A 2 -0.600 -14.838 1.595 1.00 0.00 O ATOM 12 CB SER A 2 0.313 -11.712 2.920 1.00 0.00 C ATOM 13 OG SER A 2 1.150 -11.794 1.770 1.00 0.00 O ATOM 0 H SER A 2 1.157 -13.724 4.137 1.00 0.00 H new ATOM 0 HA SER A 2 -1.458 -12.702 3.590 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.354 -10.855 2.823 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.927 -11.539 3.804 1.00 0.00 H new ATOM 0 HG SER A 2 1.139 -10.936 1.296 1.00 0.00 H new ATOM 19 N ALA A 3 -1.298 -12.822 0.842 1.00 0.00 N ATOM 20 CA ALA A 3 -1.625 -13.308 -0.487 1.00 0.00 C ATOM 21 C ALA A 3 -0.426 -13.096 -1.413 1.00 0.00 C ATOM 22 O ALA A 3 -0.490 -13.410 -2.600 1.00 0.00 O ATOM 23 CB ALA A 3 -2.884 -12.601 -0.993 1.00 0.00 C ATOM 0 H ALA A 3 -1.473 -11.828 0.988 1.00 0.00 H new ATOM 0 HA ALA A 3 -1.838 -14.377 -0.463 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -3.130 -12.965 -1.990 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.714 -12.807 -0.317 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -2.707 -11.526 -1.033 1.00 0.00 H new ATOM 29 N GLY A 4 0.641 -12.564 -0.833 1.00 0.00 N ATOM 30 CA GLY A 4 1.854 -12.306 -1.591 1.00 0.00 C ATOM 31 C GLY A 4 2.368 -10.887 -1.338 1.00 0.00 C ATOM 32 O GLY A 4 1.986 -10.251 -0.356 1.00 0.00 O ATOM 0 H GLY A 4 0.690 -12.305 0.152 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.621 -13.029 -1.314 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.658 -12.441 -2.655 1.00 0.00 H new ATOM 36 N LYS A 5 3.226 -10.433 -2.239 1.00 0.00 N ATOM 37 CA LYS A 5 3.796 -9.101 -2.125 1.00 0.00 C ATOM 38 C LYS A 5 3.019 -8.140 -3.026 1.00 0.00 C ATOM 39 O LYS A 5 2.431 -8.556 -4.024 1.00 0.00 O ATOM 40 CB LYS A 5 5.298 -9.136 -2.413 1.00 0.00 C ATOM 41 CG LYS A 5 6.059 -9.820 -1.276 1.00 0.00 C ATOM 42 CD LYS A 5 7.571 -9.742 -1.503 1.00 0.00 C ATOM 43 CE LYS A 5 8.207 -11.132 -1.430 1.00 0.00 C ATOM 44 NZ LYS A 5 8.011 -11.722 -0.087 1.00 0.00 N ATOM 0 H LYS A 5 3.541 -10.964 -3.051 1.00 0.00 H new ATOM 0 HA LYS A 5 3.699 -8.730 -1.105 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.480 -9.666 -3.348 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.670 -8.120 -2.545 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.805 -9.347 -0.327 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.752 -10.863 -1.204 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.774 -9.296 -2.476 1.00 0.00 H new ATOM 0 HD3 LYS A 5 8.022 -9.092 -0.754 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.765 -11.781 -2.187 1.00 0.00 H new ATOM 0 HE3 LYS A 5 9.272 -11.063 -1.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 8.719 -12.468 0.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.119 -10.983 0.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.057 -12.131 -0.023 1.00 0.00 H new ATOM 58 N PHE A 6 3.041 -6.871 -2.642 1.00 0.00 N ATOM 59 CA PHE A 6 2.346 -5.847 -3.403 1.00 0.00 C ATOM 60 C PHE A 6 3.178 -4.567 -3.486 1.00 0.00 C ATOM 61 O PHE A 6 4.101 -4.369 -2.697 1.00 0.00 O ATOM 62 CB PHE A 6 1.042 -5.546 -2.661 1.00 0.00 C ATOM 63 CG PHE A 6 0.025 -6.689 -2.704 1.00 0.00 C ATOM 64 CD1 PHE A 6 0.275 -7.849 -2.040 1.00 0.00 C ATOM 65 CD2 PHE A 6 -1.131 -6.544 -3.407 1.00 0.00 C ATOM 66 CE1 PHE A 6 -0.669 -8.909 -2.080 1.00 0.00 C ATOM 67 CE2 PHE A 6 -2.075 -7.603 -3.446 1.00 0.00 C ATOM 68 CZ PHE A 6 -1.825 -8.763 -2.782 1.00 0.00 C ATOM 0 H PHE A 6 3.529 -6.530 -1.814 1.00 0.00 H new ATOM 0 HA PHE A 6 2.165 -6.197 -4.419 1.00 0.00 H new ATOM 0 HB2 PHE A 6 1.272 -5.317 -1.621 1.00 0.00 H new ATOM 0 HB3 PHE A 6 0.589 -4.653 -3.091 1.00 0.00 H new ATOM 0 HD1 PHE A 6 1.192 -7.964 -1.482 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -1.330 -5.623 -3.935 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -0.469 -9.831 -1.553 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -2.993 -7.487 -4.004 1.00 0.00 H new ATOM 0 HZ PHE A 6 -2.544 -9.568 -2.812 1.00 0.00 H new ATOM 78 N ILE A 7 2.822 -3.729 -4.449 1.00 0.00 N ATOM 79 CA ILE A 7 3.524 -2.472 -4.645 1.00 0.00 C ATOM 80 C ILE A 7 2.514 -1.376 -4.990 1.00 0.00 C ATOM 81 O ILE A 7 2.051 -1.290 -6.127 1.00 0.00 O ATOM 82 CB ILE A 7 4.634 -2.635 -5.686 1.00 0.00 C ATOM 83 CG1 ILE A 7 5.148 -4.076 -5.718 1.00 0.00 C ATOM 84 CG2 ILE A 7 5.762 -1.629 -5.448 1.00 0.00 C ATOM 85 CD1 ILE A 7 6.217 -4.253 -6.798 1.00 0.00 C ATOM 0 H ILE A 7 2.056 -3.896 -5.102 1.00 0.00 H new ATOM 0 HA ILE A 7 4.023 -2.167 -3.725 1.00 0.00 H new ATOM 0 HB ILE A 7 4.214 -2.421 -6.669 1.00 0.00 H new ATOM 0 HG12 ILE A 7 5.562 -4.340 -4.745 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.319 -4.758 -5.907 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.537 -1.767 -6.202 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.366 -0.616 -5.516 1.00 0.00 H new ATOM 0 HG23 ILE A 7 6.187 -1.787 -4.457 1.00 0.00 H new ATOM 0 HD11 ILE A 7 6.565 -5.286 -6.799 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.793 -4.012 -7.773 1.00 0.00 H new ATOM 0 HD13 ILE A 7 7.056 -3.588 -6.592 1.00 0.00 H new ATOM 97 N VAL A 8 2.202 -0.567 -3.990 1.00 0.00 N ATOM 98 CA VAL A 8 1.255 0.520 -4.173 1.00 0.00 C ATOM 99 C VAL A 8 1.996 1.856 -4.092 1.00 0.00 C ATOM 100 O VAL A 8 3.122 1.917 -3.600 1.00 0.00 O ATOM 101 CB VAL A 8 0.122 0.404 -3.153 1.00 0.00 C ATOM 102 CG1 VAL A 8 -0.040 -1.041 -2.674 1.00 0.00 C ATOM 103 CG2 VAL A 8 0.346 1.351 -1.972 1.00 0.00 C ATOM 0 H VAL A 8 2.588 -0.642 -3.049 1.00 0.00 H new ATOM 0 HA VAL A 8 0.795 0.462 -5.159 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.804 0.699 -3.647 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.852 -1.095 -1.949 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.269 -1.683 -3.525 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.886 -1.375 -2.206 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.475 1.248 -1.262 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.286 1.102 -1.479 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.387 2.379 -2.332 1.00 0.00 H new ATOM 113 N ILE A 9 1.335 2.894 -4.584 1.00 0.00 N ATOM 114 CA ILE A 9 1.918 4.225 -4.574 1.00 0.00 C ATOM 115 C ILE A 9 0.853 5.240 -4.155 1.00 0.00 C ATOM 116 O ILE A 9 -0.338 4.932 -4.157 1.00 0.00 O ATOM 117 CB ILE A 9 2.566 4.537 -5.924 1.00 0.00 C ATOM 118 CG1 ILE A 9 4.078 4.724 -5.776 1.00 0.00 C ATOM 119 CG2 ILE A 9 1.901 5.745 -6.585 1.00 0.00 C ATOM 120 CD1 ILE A 9 4.822 3.415 -6.047 1.00 0.00 C ATOM 0 H ILE A 9 0.402 2.840 -4.992 1.00 0.00 H new ATOM 0 HA ILE A 9 2.722 4.283 -3.840 1.00 0.00 H new ATOM 0 HB ILE A 9 2.410 3.683 -6.583 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.422 5.492 -6.468 1.00 0.00 H new ATOM 0 HG13 ILE A 9 4.308 5.075 -4.770 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.381 5.945 -7.543 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.843 5.536 -6.745 1.00 0.00 H new ATOM 0 HG23 ILE A 9 2.004 6.616 -5.938 1.00 0.00 H new ATOM 0 HD11 ILE A 9 5.894 3.576 -5.935 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.493 2.656 -5.337 1.00 0.00 H new ATOM 0 HD13 ILE A 9 4.610 3.079 -7.062 1.00 0.00 H new ATOM 132 N PHE A 10 1.319 6.429 -3.803 1.00 0.00 N ATOM 133 CA PHE A 10 0.421 7.491 -3.382 1.00 0.00 C ATOM 134 C PHE A 10 0.619 8.746 -4.234 1.00 0.00 C ATOM 135 O PHE A 10 1.732 9.035 -4.672 1.00 0.00 O ATOM 136 CB PHE A 10 0.765 7.817 -1.928 1.00 0.00 C ATOM 137 CG PHE A 10 0.778 6.598 -1.003 1.00 0.00 C ATOM 138 CD1 PHE A 10 -0.394 6.032 -0.609 1.00 0.00 C ATOM 139 CD2 PHE A 10 1.960 6.083 -0.574 1.00 0.00 C ATOM 140 CE1 PHE A 10 -0.383 4.901 0.249 1.00 0.00 C ATOM 141 CE2 PHE A 10 1.973 4.951 0.284 1.00 0.00 C ATOM 142 CZ PHE A 10 0.800 4.385 0.678 1.00 0.00 C ATOM 0 H PHE A 10 2.307 6.681 -3.801 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.614 7.169 -3.493 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.744 8.295 -1.895 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.044 8.541 -1.548 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.333 6.443 -0.949 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.890 6.535 -0.886 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -1.314 4.451 0.561 1.00 0.00 H new ATOM 0 HE2 PHE A 10 2.912 4.540 0.623 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.808 3.525 1.332 1.00 0.00 H new ATOM 152 N LYS A 11 -0.478 9.458 -4.445 1.00 0.00 N ATOM 153 CA LYS A 11 -0.439 10.677 -5.237 1.00 0.00 C ATOM 154 C LYS A 11 0.658 11.595 -4.698 1.00 0.00 C ATOM 155 O LYS A 11 1.390 11.223 -3.783 1.00 0.00 O ATOM 156 CB LYS A 11 -1.822 11.330 -5.283 1.00 0.00 C ATOM 157 CG LYS A 11 -2.341 11.613 -3.872 1.00 0.00 C ATOM 158 CD LYS A 11 -3.831 11.963 -3.896 1.00 0.00 C ATOM 159 CE LYS A 11 -4.091 13.195 -4.764 1.00 0.00 C ATOM 160 NZ LYS A 11 -5.519 13.269 -5.144 1.00 0.00 N ATOM 0 H LYS A 11 -1.400 9.215 -4.082 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.185 10.451 -6.273 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.770 12.260 -5.849 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.520 10.676 -5.807 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.179 10.740 -3.239 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.778 12.436 -3.431 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.401 11.117 -4.280 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.181 12.149 -2.881 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.806 14.096 -4.221 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.472 13.153 -5.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.678 14.111 -5.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.780 12.417 -5.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.104 13.331 -4.286 1.00 0.00 H new ATOM 174 N ASN A 12 0.737 12.779 -5.288 1.00 0.00 N ATOM 175 CA ASN A 12 1.733 13.755 -4.878 1.00 0.00 C ATOM 176 C ASN A 12 1.083 14.780 -3.946 1.00 0.00 C ATOM 177 O ASN A 12 1.426 15.961 -3.981 1.00 0.00 O ATOM 178 CB ASN A 12 2.298 14.505 -6.086 1.00 0.00 C ATOM 179 CG ASN A 12 3.773 14.854 -5.874 1.00 0.00 C ATOM 180 OD1 ASN A 12 4.170 16.007 -5.863 1.00 0.00 O ATOM 181 ND2 ASN A 12 4.560 13.795 -5.705 1.00 0.00 N ATOM 0 H ASN A 12 0.128 13.085 -6.047 1.00 0.00 H new ATOM 0 HA ASN A 12 2.540 13.223 -4.374 1.00 0.00 H new ATOM 0 HB2 ASN A 12 2.191 13.893 -6.981 1.00 0.00 H new ATOM 0 HB3 ASN A 12 1.725 15.417 -6.253 1.00 0.00 H new ATOM 0 HD21 ASN A 12 5.561 13.922 -5.555 1.00 0.00 H new ATOM 0 HD22 ASN A 12 4.163 12.856 -5.725 1.00 0.00 H new ATOM 188 N ASP A 13 0.156 14.291 -3.135 1.00 0.00 N ATOM 189 CA ASP A 13 -0.545 15.150 -2.196 1.00 0.00 C ATOM 190 C ASP A 13 -0.404 14.577 -0.785 1.00 0.00 C ATOM 191 O ASP A 13 -0.145 15.313 0.166 1.00 0.00 O ATOM 192 CB ASP A 13 -2.036 15.227 -2.528 1.00 0.00 C ATOM 193 CG ASP A 13 -2.410 16.267 -3.587 1.00 0.00 C ATOM 194 OD1 ASP A 13 -1.583 16.466 -4.503 1.00 0.00 O ATOM 195 OD2 ASP A 13 -3.514 16.840 -3.455 1.00 0.00 O ATOM 0 H ASP A 13 -0.126 13.311 -3.109 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.109 16.147 -2.260 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -2.368 14.247 -2.870 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.586 15.448 -1.613 1.00 0.00 H new ATOM 200 N VAL A 14 -0.579 13.266 -0.692 1.00 0.00 N ATOM 201 CA VAL A 14 -0.475 12.586 0.587 1.00 0.00 C ATOM 202 C VAL A 14 0.677 13.192 1.391 1.00 0.00 C ATOM 203 O VAL A 14 1.685 13.608 0.820 1.00 0.00 O ATOM 204 CB VAL A 14 -0.324 11.079 0.367 1.00 0.00 C ATOM 205 CG1 VAL A 14 0.467 10.788 -0.910 1.00 0.00 C ATOM 206 CG2 VAL A 14 0.329 10.411 1.580 1.00 0.00 C ATOM 0 H VAL A 14 -0.792 12.657 -1.482 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.386 12.726 1.169 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.321 10.656 0.247 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.560 9.710 -1.043 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.054 11.216 -1.766 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.460 11.231 -0.832 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.425 9.341 1.398 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.317 10.841 1.744 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.289 10.575 2.463 1.00 0.00 H new ATOM 216 N SER A 15 0.491 13.223 2.702 1.00 0.00 N ATOM 217 CA SER A 15 1.502 13.772 3.589 1.00 0.00 C ATOM 218 C SER A 15 2.450 12.662 4.051 1.00 0.00 C ATOM 219 O SER A 15 2.160 11.480 3.874 1.00 0.00 O ATOM 220 CB SER A 15 0.862 14.460 4.796 1.00 0.00 C ATOM 221 OG SER A 15 0.321 13.521 5.722 1.00 0.00 O ATOM 0 H SER A 15 -0.345 12.877 3.172 1.00 0.00 H new ATOM 0 HA SER A 15 2.070 14.521 3.038 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.607 15.077 5.299 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.072 15.129 4.455 1.00 0.00 H new ATOM 0 HG SER A 15 -0.077 14.000 6.479 1.00 0.00 H new ATOM 227 N GLU A 16 3.563 13.084 4.635 1.00 0.00 N ATOM 228 CA GLU A 16 4.554 12.142 5.124 1.00 0.00 C ATOM 229 C GLU A 16 3.969 11.294 6.255 1.00 0.00 C ATOM 230 O GLU A 16 4.115 10.073 6.261 1.00 0.00 O ATOM 231 CB GLU A 16 5.822 12.866 5.580 1.00 0.00 C ATOM 232 CG GLU A 16 7.037 12.409 4.772 1.00 0.00 C ATOM 233 CD GLU A 16 7.415 13.450 3.715 1.00 0.00 C ATOM 234 OE1 GLU A 16 7.358 14.651 4.056 1.00 0.00 O ATOM 235 OE2 GLU A 16 7.753 13.021 2.591 1.00 0.00 O ATOM 0 H GLU A 16 3.799 14.066 4.780 1.00 0.00 H new ATOM 0 HA GLU A 16 4.830 11.478 4.305 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.690 13.942 5.468 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.993 12.675 6.639 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.881 12.241 5.441 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.820 11.457 4.288 1.00 0.00 H new ATOM 242 N ASP A 17 3.318 11.977 7.186 1.00 0.00 N ATOM 243 CA ASP A 17 2.709 11.303 8.320 1.00 0.00 C ATOM 244 C ASP A 17 1.669 10.300 7.815 1.00 0.00 C ATOM 245 O ASP A 17 1.587 9.180 8.315 1.00 0.00 O ATOM 246 CB ASP A 17 1.999 12.300 9.238 1.00 0.00 C ATOM 247 CG ASP A 17 1.449 11.706 10.536 1.00 0.00 C ATOM 248 OD1 ASP A 17 2.014 10.681 10.976 1.00 0.00 O ATOM 249 OD2 ASP A 17 0.475 12.289 11.059 1.00 0.00 O ATOM 0 H ASP A 17 3.199 12.990 7.178 1.00 0.00 H new ATOM 0 HA ASP A 17 3.500 10.801 8.877 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.696 13.100 9.489 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.176 12.755 8.687 1.00 0.00 H new ATOM 254 N LYS A 18 0.902 10.740 6.829 1.00 0.00 N ATOM 255 CA LYS A 18 -0.130 9.896 6.250 1.00 0.00 C ATOM 256 C LYS A 18 0.516 8.639 5.663 1.00 0.00 C ATOM 257 O LYS A 18 0.041 7.528 5.893 1.00 0.00 O ATOM 258 CB LYS A 18 -0.966 10.686 5.242 1.00 0.00 C ATOM 259 CG LYS A 18 -2.357 10.990 5.802 1.00 0.00 C ATOM 260 CD LYS A 18 -2.280 12.020 6.932 1.00 0.00 C ATOM 261 CE LYS A 18 -2.979 11.505 8.191 1.00 0.00 C ATOM 262 NZ LYS A 18 -2.209 11.877 9.400 1.00 0.00 N ATOM 0 H LYS A 18 0.974 11.670 6.416 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.829 9.567 7.019 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.458 11.618 4.994 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.059 10.118 4.316 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.999 11.366 5.006 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.813 10.072 6.172 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.237 12.242 7.156 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.743 12.953 6.611 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.985 11.920 8.251 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.084 10.421 8.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.159 11.062 10.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.247 12.160 9.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.679 12.670 9.881 1.00 0.00 H new ATOM 276 N ILE A 19 1.589 8.858 4.916 1.00 0.00 N ATOM 277 CA ILE A 19 2.304 7.757 4.294 1.00 0.00 C ATOM 278 C ILE A 19 2.688 6.735 5.365 1.00 0.00 C ATOM 279 O ILE A 19 2.301 5.569 5.283 1.00 0.00 O ATOM 280 CB ILE A 19 3.495 8.280 3.487 1.00 0.00 C ATOM 281 CG1 ILE A 19 3.310 8.002 1.994 1.00 0.00 C ATOM 282 CG2 ILE A 19 4.811 7.707 4.018 1.00 0.00 C ATOM 283 CD1 ILE A 19 4.180 8.936 1.151 1.00 0.00 C ATOM 0 H ILE A 19 1.980 9.781 4.728 1.00 0.00 H new ATOM 0 HA ILE A 19 1.664 7.243 3.577 1.00 0.00 H new ATOM 0 HB ILE A 19 3.542 9.362 3.610 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.569 6.965 1.779 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.262 8.132 1.723 1.00 0.00 H new ATOM 0 HG21 ILE A 19 5.641 8.094 3.427 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.940 7.998 5.060 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.790 6.620 3.945 1.00 0.00 H new ATOM 0 HD11 ILE A 19 4.030 8.718 0.094 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.902 9.971 1.351 1.00 0.00 H new ATOM 0 HD13 ILE A 19 5.229 8.786 1.407 1.00 0.00 H new ATOM 295 N ARG A 20 3.446 7.206 6.344 1.00 0.00 N ATOM 296 CA ARG A 20 3.887 6.347 7.430 1.00 0.00 C ATOM 297 C ARG A 20 2.682 5.712 8.127 1.00 0.00 C ATOM 298 O ARG A 20 2.775 4.599 8.644 1.00 0.00 O ATOM 299 CB ARG A 20 4.705 7.133 8.456 1.00 0.00 C ATOM 300 CG ARG A 20 5.933 7.772 7.805 1.00 0.00 C ATOM 301 CD ARG A 20 7.021 8.054 8.844 1.00 0.00 C ATOM 302 NE ARG A 20 8.356 7.988 8.211 1.00 0.00 N ATOM 303 CZ ARG A 20 9.496 8.338 8.822 1.00 0.00 C ATOM 304 NH1 ARG A 20 9.469 8.782 10.086 1.00 0.00 N ATOM 305 NH2 ARG A 20 10.662 8.245 8.170 1.00 0.00 N ATOM 0 H ARG A 20 3.766 8.172 6.408 1.00 0.00 H new ATOM 0 HA ARG A 20 4.516 5.567 7.001 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.083 7.907 8.906 1.00 0.00 H new ATOM 0 HB3 ARG A 20 5.020 6.469 9.261 1.00 0.00 H new ATOM 0 HG2 ARG A 20 6.325 7.110 7.033 1.00 0.00 H new ATOM 0 HG3 ARG A 20 5.646 8.701 7.313 1.00 0.00 H new ATOM 0 HD2 ARG A 20 6.867 9.039 9.285 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.958 7.328 9.655 1.00 0.00 H new ATOM 0 HE ARG A 20 8.412 7.655 7.249 1.00 0.00 H new ATOM 0 HH11 ARG A 20 8.581 8.853 10.583 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.337 9.049 10.552 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.683 7.908 7.208 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.529 8.512 8.636 1.00 0.00 H new ATOM 319 N GLU A 21 1.579 6.446 8.118 1.00 0.00 N ATOM 320 CA GLU A 21 0.358 5.968 8.743 1.00 0.00 C ATOM 321 C GLU A 21 -0.203 4.774 7.968 1.00 0.00 C ATOM 322 O GLU A 21 -0.219 3.653 8.474 1.00 0.00 O ATOM 323 CB GLU A 21 -0.679 7.088 8.849 1.00 0.00 C ATOM 324 CG GLU A 21 -0.371 8.010 10.031 1.00 0.00 C ATOM 325 CD GLU A 21 -1.562 8.090 10.988 1.00 0.00 C ATOM 326 OE1 GLU A 21 -1.647 7.202 11.864 1.00 0.00 O ATOM 327 OE2 GLU A 21 -2.360 9.038 10.824 1.00 0.00 O ATOM 0 H GLU A 21 1.506 7.368 7.688 1.00 0.00 H new ATOM 0 HA GLU A 21 0.596 5.641 9.755 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.691 7.666 7.925 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.673 6.658 8.968 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.505 7.642 10.565 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.126 9.007 9.665 1.00 0.00 H new ATOM 334 N THR A 22 -0.650 5.055 6.753 1.00 0.00 N ATOM 335 CA THR A 22 -1.210 4.018 5.903 1.00 0.00 C ATOM 336 C THR A 22 -0.386 2.734 6.014 1.00 0.00 C ATOM 337 O THR A 22 -0.941 1.637 6.053 1.00 0.00 O ATOM 338 CB THR A 22 -1.290 4.567 4.477 1.00 0.00 C ATOM 339 OG1 THR A 22 -2.337 5.532 4.535 1.00 0.00 O ATOM 340 CG2 THR A 22 -1.796 3.527 3.477 1.00 0.00 C ATOM 0 H THR A 22 -0.636 5.986 6.337 1.00 0.00 H new ATOM 0 HA THR A 22 -2.217 3.749 6.220 1.00 0.00 H new ATOM 0 HB THR A 22 -0.306 4.918 4.168 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.456 5.939 3.652 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.834 3.968 2.481 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.121 2.671 3.469 1.00 0.00 H new ATOM 0 HG23 THR A 22 -2.794 3.199 3.767 1.00 0.00 H new ATOM 348 N LYS A 23 0.927 2.914 6.062 1.00 0.00 N ATOM 349 CA LYS A 23 1.833 1.783 6.168 1.00 0.00 C ATOM 350 C LYS A 23 1.605 1.076 7.506 1.00 0.00 C ATOM 351 O LYS A 23 1.372 -0.132 7.541 1.00 0.00 O ATOM 352 CB LYS A 23 3.279 2.233 5.949 1.00 0.00 C ATOM 353 CG LYS A 23 3.765 1.855 4.548 1.00 0.00 C ATOM 354 CD LYS A 23 3.545 3.004 3.562 1.00 0.00 C ATOM 355 CE LYS A 23 4.827 3.817 3.374 1.00 0.00 C ATOM 356 NZ LYS A 23 4.868 4.413 2.020 1.00 0.00 N ATOM 0 H LYS A 23 1.384 3.825 6.029 1.00 0.00 H new ATOM 0 HA LYS A 23 1.627 1.055 5.383 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.352 3.312 6.084 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.924 1.773 6.698 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.824 1.599 4.583 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.234 0.968 4.202 1.00 0.00 H new ATOM 0 HD2 LYS A 23 3.218 2.606 2.601 1.00 0.00 H new ATOM 0 HD3 LYS A 23 2.748 3.653 3.926 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.879 4.604 4.126 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.696 3.176 3.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.849 4.664 1.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.507 3.726 1.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.277 5.269 1.999 1.00 0.00 H new ATOM 370 N ASP A 24 1.680 1.858 8.573 1.00 0.00 N ATOM 371 CA ASP A 24 1.485 1.321 9.908 1.00 0.00 C ATOM 372 C ASP A 24 0.088 0.706 10.008 1.00 0.00 C ATOM 373 O ASP A 24 -0.090 -0.342 10.624 1.00 0.00 O ATOM 374 CB ASP A 24 1.593 2.422 10.966 1.00 0.00 C ATOM 375 CG ASP A 24 2.937 2.490 11.694 1.00 0.00 C ATOM 376 OD1 ASP A 24 3.961 2.248 11.020 1.00 0.00 O ATOM 377 OD2 ASP A 24 2.910 2.783 12.908 1.00 0.00 O ATOM 0 H ASP A 24 1.873 2.859 8.540 1.00 0.00 H new ATOM 0 HA ASP A 24 2.257 0.572 10.085 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.407 3.384 10.488 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.804 2.275 11.704 1.00 0.00 H new ATOM 382 N GLU A 25 -0.868 1.386 9.391 1.00 0.00 N ATOM 383 CA GLU A 25 -2.244 0.920 9.402 1.00 0.00 C ATOM 384 C GLU A 25 -2.326 -0.507 8.857 1.00 0.00 C ATOM 385 O GLU A 25 -3.127 -1.312 9.330 1.00 0.00 O ATOM 386 CB GLU A 25 -3.149 1.864 8.606 1.00 0.00 C ATOM 387 CG GLU A 25 -4.125 2.596 9.530 1.00 0.00 C ATOM 388 CD GLU A 25 -3.577 3.967 9.929 1.00 0.00 C ATOM 389 OE1 GLU A 25 -3.721 4.897 9.106 1.00 0.00 O ATOM 390 OE2 GLU A 25 -3.027 4.055 11.048 1.00 0.00 O ATOM 0 H GLU A 25 -0.716 2.256 8.880 1.00 0.00 H new ATOM 0 HA GLU A 25 -2.597 0.915 10.433 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.540 2.589 8.067 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.705 1.297 7.859 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -5.086 2.716 9.029 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.304 1.998 10.423 1.00 0.00 H new ATOM 397 N VAL A 26 -1.486 -0.778 7.869 1.00 0.00 N ATOM 398 CA VAL A 26 -1.452 -2.093 7.254 1.00 0.00 C ATOM 399 C VAL A 26 -0.662 -3.050 8.149 1.00 0.00 C ATOM 400 O VAL A 26 -1.025 -4.218 8.289 1.00 0.00 O ATOM 401 CB VAL A 26 -0.884 -1.995 5.837 1.00 0.00 C ATOM 402 CG1 VAL A 26 0.544 -2.543 5.779 1.00 0.00 C ATOM 403 CG2 VAL A 26 -1.787 -2.714 4.833 1.00 0.00 C ATOM 0 H VAL A 26 -0.823 -0.108 7.479 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.461 -2.495 7.158 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.850 -0.941 5.563 1.00 0.00 H new ATOM 0 HG11 VAL A 26 0.924 -2.461 4.761 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.182 -1.969 6.451 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.545 -3.590 6.084 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.360 -2.629 3.834 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.868 -3.766 5.105 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.778 -2.260 4.844 1.00 0.00 H new ATOM 413 N ILE A 27 0.402 -2.520 8.733 1.00 0.00 N ATOM 414 CA ILE A 27 1.246 -3.313 9.612 1.00 0.00 C ATOM 415 C ILE A 27 0.398 -3.883 10.750 1.00 0.00 C ATOM 416 O ILE A 27 0.430 -5.085 11.011 1.00 0.00 O ATOM 417 CB ILE A 27 2.444 -2.489 10.090 1.00 0.00 C ATOM 418 CG1 ILE A 27 3.237 -1.935 8.906 1.00 0.00 C ATOM 419 CG2 ILE A 27 3.325 -3.303 11.040 1.00 0.00 C ATOM 420 CD1 ILE A 27 4.444 -2.822 8.591 1.00 0.00 C ATOM 0 H ILE A 27 0.700 -1.551 8.615 1.00 0.00 H new ATOM 0 HA ILE A 27 1.666 -4.162 9.073 1.00 0.00 H new ATOM 0 HB ILE A 27 2.068 -1.634 10.652 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.591 -1.869 8.030 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.574 -0.923 9.131 1.00 0.00 H new ATOM 0 HG21 ILE A 27 4.169 -2.694 11.365 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.740 -3.606 11.909 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.694 -4.189 10.524 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.991 -2.405 7.745 1.00 0.00 H new ATOM 0 HD12 ILE A 27 5.100 -2.866 9.461 1.00 0.00 H new ATOM 0 HD13 ILE A 27 4.102 -3.827 8.343 1.00 0.00 H new ATOM 432 N ALA A 28 -0.341 -2.993 11.397 1.00 0.00 N ATOM 433 CA ALA A 28 -1.197 -3.393 12.501 1.00 0.00 C ATOM 434 C ALA A 28 -2.402 -4.163 11.955 1.00 0.00 C ATOM 435 O ALA A 28 -2.718 -5.249 12.435 1.00 0.00 O ATOM 436 CB ALA A 28 -1.610 -2.156 13.301 1.00 0.00 C ATOM 0 H ALA A 28 -0.365 -1.997 11.178 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.662 -4.057 13.180 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.252 -2.456 14.129 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.721 -1.662 13.692 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.152 -1.468 12.653 1.00 0.00 H new ATOM 442 N GLU A 29 -3.040 -3.568 10.957 1.00 0.00 N ATOM 443 CA GLU A 29 -4.203 -4.184 10.340 1.00 0.00 C ATOM 444 C GLU A 29 -3.907 -5.643 9.989 1.00 0.00 C ATOM 445 O GLU A 29 -4.463 -6.556 10.598 1.00 0.00 O ATOM 446 CB GLU A 29 -4.645 -3.402 9.102 1.00 0.00 C ATOM 447 CG GLU A 29 -5.743 -4.151 8.343 1.00 0.00 C ATOM 448 CD GLU A 29 -6.380 -3.257 7.277 1.00 0.00 C ATOM 449 OE1 GLU A 29 -6.784 -2.134 7.646 1.00 0.00 O ATOM 450 OE2 GLU A 29 -6.447 -3.718 6.118 1.00 0.00 O ATOM 0 H GLU A 29 -2.774 -2.667 10.561 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.024 -4.162 11.056 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.010 -2.419 9.400 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -3.790 -3.240 8.446 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.323 -5.041 7.873 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.507 -4.490 9.042 1.00 0.00 H new ATOM 457 N GLY A 30 -3.032 -5.817 9.011 1.00 0.00 N ATOM 458 CA GLY A 30 -2.655 -7.151 8.572 1.00 0.00 C ATOM 459 C GLY A 30 -1.374 -7.112 7.736 1.00 0.00 C ATOM 460 O GLY A 30 -0.327 -7.584 8.176 1.00 0.00 O ATOM 0 H GLY A 30 -2.572 -5.057 8.509 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.508 -7.795 9.439 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.464 -7.586 7.985 1.00 0.00 H new ATOM 464 N GLY A 31 -1.500 -6.545 6.545 1.00 0.00 N ATOM 465 CA GLY A 31 -0.364 -6.438 5.644 1.00 0.00 C ATOM 466 C GLY A 31 0.887 -5.973 6.391 1.00 0.00 C ATOM 467 O GLY A 31 0.808 -5.565 7.549 1.00 0.00 O ATOM 0 H GLY A 31 -2.370 -6.155 6.183 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.174 -7.404 5.176 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.596 -5.736 4.843 1.00 0.00 H new ATOM 471 N THR A 32 2.014 -6.051 5.698 1.00 0.00 N ATOM 472 CA THR A 32 3.280 -5.643 6.282 1.00 0.00 C ATOM 473 C THR A 32 4.127 -4.897 5.250 1.00 0.00 C ATOM 474 O THR A 32 3.750 -4.803 4.083 1.00 0.00 O ATOM 475 CB THR A 32 3.966 -6.891 6.843 1.00 0.00 C ATOM 476 OG1 THR A 32 2.931 -7.869 6.880 1.00 0.00 O ATOM 477 CG2 THR A 32 4.375 -6.725 8.309 1.00 0.00 C ATOM 0 H THR A 32 2.076 -6.391 4.738 1.00 0.00 H new ATOM 0 HA THR A 32 3.129 -4.941 7.102 1.00 0.00 H new ATOM 0 HB THR A 32 4.847 -7.121 6.244 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.289 -8.711 7.230 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.857 -7.638 8.658 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.070 -5.890 8.401 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.490 -6.528 8.914 1.00 0.00 H new ATOM 485 N ILE A 33 5.257 -4.384 5.717 1.00 0.00 N ATOM 486 CA ILE A 33 6.159 -3.649 4.848 1.00 0.00 C ATOM 487 C ILE A 33 7.557 -4.267 4.934 1.00 0.00 C ATOM 488 O ILE A 33 8.085 -4.468 6.026 1.00 0.00 O ATOM 489 CB ILE A 33 6.126 -2.156 5.181 1.00 0.00 C ATOM 490 CG1 ILE A 33 4.691 -1.626 5.181 1.00 0.00 C ATOM 491 CG2 ILE A 33 7.030 -1.363 4.235 1.00 0.00 C ATOM 492 CD1 ILE A 33 4.045 -1.795 3.804 1.00 0.00 C ATOM 0 H ILE A 33 5.567 -4.463 6.685 1.00 0.00 H new ATOM 0 HA ILE A 33 5.837 -3.728 3.810 1.00 0.00 H new ATOM 0 HB ILE A 33 6.519 -2.022 6.189 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.103 -2.157 5.930 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.688 -0.573 5.461 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.988 -0.305 4.493 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.056 -1.719 4.328 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.691 -1.499 3.208 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.025 -1.411 3.831 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.621 -1.243 3.061 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.027 -2.852 3.538 1.00 0.00 H new ATOM 504 N THR A 34 8.116 -4.550 3.766 1.00 0.00 N ATOM 505 CA THR A 34 9.442 -5.140 3.694 1.00 0.00 C ATOM 506 C THR A 34 10.435 -4.150 3.082 1.00 0.00 C ATOM 507 O THR A 34 11.619 -4.168 3.414 1.00 0.00 O ATOM 508 CB THR A 34 9.334 -6.452 2.915 1.00 0.00 C ATOM 509 OG1 THR A 34 9.002 -6.043 1.591 1.00 0.00 O ATOM 510 CG2 THR A 34 8.137 -7.298 3.354 1.00 0.00 C ATOM 0 H THR A 34 7.675 -4.382 2.862 1.00 0.00 H new ATOM 0 HA THR A 34 9.828 -5.366 4.688 1.00 0.00 H new ATOM 0 HB THR A 34 10.251 -7.027 3.044 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.914 -6.832 1.017 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.107 -8.218 2.769 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.233 -7.543 4.412 1.00 0.00 H new ATOM 0 HG23 THR A 34 7.216 -6.737 3.194 1.00 0.00 H new ATOM 518 N ASN A 35 9.914 -3.309 2.200 1.00 0.00 N ATOM 519 CA ASN A 35 10.741 -2.313 1.539 1.00 0.00 C ATOM 520 C ASN A 35 9.886 -1.087 1.208 1.00 0.00 C ATOM 521 O ASN A 35 8.660 -1.171 1.176 1.00 0.00 O ATOM 522 CB ASN A 35 11.316 -2.856 0.230 1.00 0.00 C ATOM 523 CG ASN A 35 12.844 -2.772 0.225 1.00 0.00 C ATOM 524 OD1 ASN A 35 13.496 -2.821 1.254 1.00 0.00 O ATOM 525 ND2 ASN A 35 13.374 -2.643 -0.988 1.00 0.00 N ATOM 0 H ASN A 35 8.931 -3.297 1.928 1.00 0.00 H new ATOM 0 HA ASN A 35 11.559 -2.052 2.211 1.00 0.00 H new ATOM 0 HB2 ASN A 35 11.005 -3.892 0.094 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.914 -2.290 -0.610 1.00 0.00 H new ATOM 0 HD21 ASN A 35 14.386 -2.578 -1.098 1.00 0.00 H new ATOM 0 HD22 ASN A 35 12.768 -2.609 -1.808 1.00 0.00 H new ATOM 532 N GLU A 36 10.570 0.024 0.972 1.00 0.00 N ATOM 533 CA GLU A 36 9.890 1.265 0.645 1.00 0.00 C ATOM 534 C GLU A 36 10.578 1.952 -0.536 1.00 0.00 C ATOM 535 O GLU A 36 11.681 1.572 -0.923 1.00 0.00 O ATOM 536 CB GLU A 36 9.828 2.193 1.860 1.00 0.00 C ATOM 537 CG GLU A 36 11.023 3.149 1.881 1.00 0.00 C ATOM 538 CD GLU A 36 12.334 2.384 2.082 1.00 0.00 C ATOM 539 OE1 GLU A 36 12.386 1.593 3.049 1.00 0.00 O ATOM 540 OE2 GLU A 36 13.254 2.609 1.266 1.00 0.00 O ATOM 0 H GLU A 36 11.587 0.090 1.001 1.00 0.00 H new ATOM 0 HA GLU A 36 8.865 1.030 0.356 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.900 2.765 1.838 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.816 1.600 2.775 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.063 3.707 0.946 1.00 0.00 H new ATOM 0 HG3 GLU A 36 10.896 3.878 2.682 1.00 0.00 H new ATOM 547 N TYR A 37 9.897 2.953 -1.076 1.00 0.00 N ATOM 548 CA TYR A 37 10.429 3.696 -2.205 1.00 0.00 C ATOM 549 C TYR A 37 10.410 5.201 -1.929 1.00 0.00 C ATOM 550 O TYR A 37 9.390 5.859 -2.127 1.00 0.00 O ATOM 551 CB TYR A 37 9.501 3.395 -3.383 1.00 0.00 C ATOM 552 CG TYR A 37 9.597 1.957 -3.899 1.00 0.00 C ATOM 553 CD1 TYR A 37 10.772 1.502 -4.461 1.00 0.00 C ATOM 554 CD2 TYR A 37 8.508 1.115 -3.801 1.00 0.00 C ATOM 555 CE1 TYR A 37 10.863 0.150 -4.946 1.00 0.00 C ATOM 556 CE2 TYR A 37 8.598 -0.238 -4.285 1.00 0.00 C ATOM 557 CZ TYR A 37 9.771 -0.654 -4.834 1.00 0.00 C ATOM 558 OH TYR A 37 9.856 -1.932 -5.292 1.00 0.00 O ATOM 0 H TYR A 37 8.982 3.266 -0.752 1.00 0.00 H new ATOM 0 HA TYR A 37 11.462 3.408 -2.401 1.00 0.00 H new ATOM 0 HB2 TYR A 37 8.472 3.594 -3.082 1.00 0.00 H new ATOM 0 HB3 TYR A 37 9.733 4.079 -4.199 1.00 0.00 H new ATOM 0 HD1 TYR A 37 11.624 2.161 -4.537 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.588 1.471 -3.361 1.00 0.00 H new ATOM 0 HE1 TYR A 37 11.777 -0.218 -5.389 1.00 0.00 H new ATOM 0 HE2 TYR A 37 7.753 -0.907 -4.214 1.00 0.00 H new ATOM 0 HH TYR A 37 9.002 -2.389 -5.146 1.00 0.00 H new ATOM 568 N ASN A 38 11.548 5.702 -1.474 1.00 0.00 N ATOM 569 CA ASN A 38 11.676 7.117 -1.168 1.00 0.00 C ATOM 570 C ASN A 38 12.216 7.853 -2.396 1.00 0.00 C ATOM 571 O ASN A 38 13.406 8.158 -2.467 1.00 0.00 O ATOM 572 CB ASN A 38 12.652 7.345 -0.012 1.00 0.00 C ATOM 573 CG ASN A 38 13.944 6.553 -0.220 1.00 0.00 C ATOM 574 OD1 ASN A 38 14.306 6.187 -1.327 1.00 0.00 O ATOM 575 ND2 ASN A 38 14.617 6.310 0.901 1.00 0.00 N ATOM 0 H ASN A 38 12.392 5.153 -1.309 1.00 0.00 H new ATOM 0 HA ASN A 38 10.692 7.492 -0.887 1.00 0.00 H new ATOM 0 HB2 ASN A 38 12.882 8.407 0.070 1.00 0.00 H new ATOM 0 HB3 ASN A 38 12.185 7.046 0.927 1.00 0.00 H new ATOM 0 HD21 ASN A 38 15.493 5.788 0.867 1.00 0.00 H new ATOM 0 HD22 ASN A 38 14.257 6.645 1.795 1.00 0.00 H new ATOM 582 N MET A 39 11.316 8.116 -3.332 1.00 0.00 N ATOM 583 CA MET A 39 11.688 8.811 -4.552 1.00 0.00 C ATOM 584 C MET A 39 11.319 10.293 -4.474 1.00 0.00 C ATOM 585 O MET A 39 10.630 10.717 -3.547 1.00 0.00 O ATOM 586 CB MET A 39 10.974 8.169 -5.743 1.00 0.00 C ATOM 587 CG MET A 39 11.966 7.434 -6.647 1.00 0.00 C ATOM 588 SD MET A 39 11.382 5.780 -6.977 1.00 0.00 S ATOM 589 CE MET A 39 12.935 4.960 -7.295 1.00 0.00 C ATOM 0 H MET A 39 10.331 7.860 -3.270 1.00 0.00 H new ATOM 0 HA MET A 39 12.768 8.732 -4.678 1.00 0.00 H new ATOM 0 HB2 MET A 39 10.217 7.471 -5.385 1.00 0.00 H new ATOM 0 HB3 MET A 39 10.454 8.936 -6.316 1.00 0.00 H new ATOM 0 HG2 MET A 39 12.090 7.978 -7.583 1.00 0.00 H new ATOM 0 HG3 MET A 39 12.945 7.394 -6.170 1.00 0.00 H new ATOM 0 HE1 MET A 39 12.752 3.909 -7.520 1.00 0.00 H new ATOM 0 HE2 MET A 39 13.429 5.433 -8.144 1.00 0.00 H new ATOM 0 HE3 MET A 39 13.574 5.036 -6.415 1.00 0.00 H new ATOM 599 N PRO A 40 11.806 11.061 -5.486 1.00 0.00 N ATOM 600 CA PRO A 40 11.534 12.488 -5.540 1.00 0.00 C ATOM 601 C PRO A 40 10.094 12.755 -5.984 1.00 0.00 C ATOM 602 O PRO A 40 9.288 13.271 -5.211 1.00 0.00 O ATOM 603 CB PRO A 40 12.566 13.048 -6.503 1.00 0.00 C ATOM 604 CG PRO A 40 13.075 11.862 -7.306 1.00 0.00 C ATOM 605 CD PRO A 40 12.625 10.594 -6.600 1.00 0.00 C ATOM 0 HA PRO A 40 11.616 12.970 -4.566 1.00 0.00 H new ATOM 0 HB2 PRO A 40 12.123 13.800 -7.156 1.00 0.00 H new ATOM 0 HB3 PRO A 40 13.380 13.533 -5.964 1.00 0.00 H new ATOM 0 HG2 PRO A 40 12.683 11.893 -8.323 1.00 0.00 H new ATOM 0 HG3 PRO A 40 14.162 11.891 -7.383 1.00 0.00 H new ATOM 0 HD2 PRO A 40 12.054 9.950 -7.269 1.00 0.00 H new ATOM 0 HD3 PRO A 40 13.477 10.013 -6.248 1.00 0.00 H new ATOM 613 N GLY A 41 9.815 12.392 -7.226 1.00 0.00 N ATOM 614 CA GLY A 41 8.486 12.586 -7.782 1.00 0.00 C ATOM 615 C GLY A 41 7.612 11.352 -7.555 1.00 0.00 C ATOM 616 O GLY A 41 6.454 11.322 -7.972 1.00 0.00 O ATOM 0 H GLY A 41 10.486 11.964 -7.864 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.019 13.457 -7.322 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.561 12.792 -8.850 1.00 0.00 H new ATOM 620 N MET A 42 8.197 10.363 -6.895 1.00 0.00 N ATOM 621 CA MET A 42 7.485 9.130 -6.608 1.00 0.00 C ATOM 622 C MET A 42 7.619 8.751 -5.131 1.00 0.00 C ATOM 623 O MET A 42 8.706 8.836 -4.561 1.00 0.00 O ATOM 624 CB MET A 42 8.045 8.003 -7.477 1.00 0.00 C ATOM 625 CG MET A 42 7.181 6.745 -7.367 1.00 0.00 C ATOM 626 SD MET A 42 6.436 6.375 -8.946 1.00 0.00 S ATOM 627 CE MET A 42 7.326 4.886 -9.366 1.00 0.00 C ATOM 0 H MET A 42 9.157 10.391 -6.551 1.00 0.00 H new ATOM 0 HA MET A 42 6.429 9.282 -6.831 1.00 0.00 H new ATOM 0 HB2 MET A 42 8.089 8.328 -8.516 1.00 0.00 H new ATOM 0 HB3 MET A 42 9.066 7.775 -7.170 1.00 0.00 H new ATOM 0 HG2 MET A 42 7.790 5.903 -7.037 1.00 0.00 H new ATOM 0 HG3 MET A 42 6.405 6.891 -6.615 1.00 0.00 H new ATOM 0 HE1 MET A 42 6.982 4.517 -10.332 1.00 0.00 H new ATOM 0 HE2 MET A 42 8.393 5.103 -9.419 1.00 0.00 H new ATOM 0 HE3 MET A 42 7.147 4.128 -8.603 1.00 0.00 H new ATOM 637 N LYS A 43 6.500 8.341 -4.554 1.00 0.00 N ATOM 638 CA LYS A 43 6.479 7.948 -3.155 1.00 0.00 C ATOM 639 C LYS A 43 5.601 6.706 -2.991 1.00 0.00 C ATOM 640 O LYS A 43 4.379 6.812 -2.908 1.00 0.00 O ATOM 641 CB LYS A 43 6.050 9.124 -2.275 1.00 0.00 C ATOM 642 CG LYS A 43 7.266 9.815 -1.652 1.00 0.00 C ATOM 643 CD LYS A 43 7.753 9.056 -0.416 1.00 0.00 C ATOM 644 CE LYS A 43 8.629 9.949 0.466 1.00 0.00 C ATOM 645 NZ LYS A 43 8.519 9.545 1.885 1.00 0.00 N ATOM 0 H LYS A 43 5.600 8.272 -5.030 1.00 0.00 H new ATOM 0 HA LYS A 43 7.481 7.677 -2.821 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.485 9.841 -2.870 1.00 0.00 H new ATOM 0 HB3 LYS A 43 5.385 8.770 -1.487 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.070 9.876 -2.386 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.007 10.837 -1.377 1.00 0.00 H new ATOM 0 HD2 LYS A 43 6.897 8.700 0.157 1.00 0.00 H new ATOM 0 HD3 LYS A 43 8.318 8.176 -0.724 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.668 9.883 0.143 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.326 10.990 0.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 9.120 10.161 2.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 7.530 9.631 2.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 8.830 8.558 1.990 1.00 0.00 H new ATOM 659 N GLY A 44 6.260 5.557 -2.951 1.00 0.00 N ATOM 660 CA GLY A 44 5.555 4.296 -2.798 1.00 0.00 C ATOM 661 C GLY A 44 6.316 3.351 -1.867 1.00 0.00 C ATOM 662 O GLY A 44 7.299 3.748 -1.241 1.00 0.00 O ATOM 0 H GLY A 44 7.274 5.473 -3.022 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.557 4.479 -2.399 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.427 3.826 -3.773 1.00 0.00 H new ATOM 666 N PHE A 45 5.834 2.118 -1.803 1.00 0.00 N ATOM 667 CA PHE A 45 6.457 1.114 -0.958 1.00 0.00 C ATOM 668 C PHE A 45 6.104 -0.297 -1.432 1.00 0.00 C ATOM 669 O PHE A 45 5.161 -0.480 -2.202 1.00 0.00 O ATOM 670 CB PHE A 45 5.909 1.316 0.455 1.00 0.00 C ATOM 671 CG PHE A 45 4.484 0.796 0.651 1.00 0.00 C ATOM 672 CD1 PHE A 45 4.276 -0.490 1.046 1.00 0.00 C ATOM 673 CD2 PHE A 45 3.423 1.619 0.432 1.00 0.00 C ATOM 674 CE1 PHE A 45 2.953 -0.972 1.227 1.00 0.00 C ATOM 675 CE2 PHE A 45 2.100 1.136 0.613 1.00 0.00 C ATOM 676 CZ PHE A 45 1.894 -0.149 1.006 1.00 0.00 C ATOM 0 H PHE A 45 5.019 1.792 -2.323 1.00 0.00 H new ATOM 0 HA PHE A 45 7.541 1.220 -0.993 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.568 0.815 1.164 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.933 2.379 0.694 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.118 -1.144 1.222 1.00 0.00 H new ATOM 0 HD2 PHE A 45 3.587 2.640 0.120 1.00 0.00 H new ATOM 0 HE1 PHE A 45 2.788 -1.992 1.540 1.00 0.00 H new ATOM 0 HE2 PHE A 45 1.258 1.789 0.439 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.888 -0.516 1.143 1.00 0.00 H new ATOM 686 N ALA A 46 6.878 -1.260 -0.952 1.00 0.00 N ATOM 687 CA ALA A 46 6.658 -2.649 -1.317 1.00 0.00 C ATOM 688 C ALA A 46 6.715 -3.518 -0.059 1.00 0.00 C ATOM 689 O ALA A 46 7.483 -3.237 0.859 1.00 0.00 O ATOM 690 CB ALA A 46 7.690 -3.071 -2.364 1.00 0.00 C ATOM 0 H ALA A 46 7.658 -1.105 -0.313 1.00 0.00 H new ATOM 0 HA ALA A 46 5.671 -2.777 -1.762 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.525 -4.113 -2.638 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.588 -2.443 -3.249 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.693 -2.958 -1.952 1.00 0.00 H new ATOM 696 N GLY A 47 5.891 -4.555 -0.057 1.00 0.00 N ATOM 697 CA GLY A 47 5.838 -5.467 1.073 1.00 0.00 C ATOM 698 C GLY A 47 4.790 -6.559 0.848 1.00 0.00 C ATOM 699 O GLY A 47 4.534 -6.953 -0.288 1.00 0.00 O ATOM 0 H GLY A 47 5.254 -4.784 -0.820 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.817 -5.923 1.223 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.602 -4.913 1.981 1.00 0.00 H new ATOM 703 N GLU A 48 4.214 -7.018 1.950 1.00 0.00 N ATOM 704 CA GLU A 48 3.200 -8.056 1.887 1.00 0.00 C ATOM 705 C GLU A 48 1.814 -7.461 2.144 1.00 0.00 C ATOM 706 O GLU A 48 1.615 -6.741 3.120 1.00 0.00 O ATOM 707 CB GLU A 48 3.506 -9.181 2.878 1.00 0.00 C ATOM 708 CG GLU A 48 4.349 -10.276 2.221 1.00 0.00 C ATOM 709 CD GLU A 48 5.384 -10.833 3.201 1.00 0.00 C ATOM 710 OE1 GLU A 48 4.961 -11.233 4.307 1.00 0.00 O ATOM 711 OE2 GLU A 48 6.575 -10.845 2.822 1.00 0.00 O ATOM 0 H GLU A 48 4.431 -6.690 2.891 1.00 0.00 H new ATOM 0 HA GLU A 48 3.209 -8.486 0.885 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.036 -8.777 3.740 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.574 -9.608 3.249 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.700 -11.081 1.875 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.854 -9.874 1.343 1.00 0.00 H new ATOM 718 N LEU A 49 0.892 -7.784 1.248 1.00 0.00 N ATOM 719 CA LEU A 49 -0.469 -7.291 1.366 1.00 0.00 C ATOM 720 C LEU A 49 -1.448 -8.436 1.094 1.00 0.00 C ATOM 721 O LEU A 49 -1.047 -9.597 1.026 1.00 0.00 O ATOM 722 CB LEU A 49 -0.679 -6.076 0.461 1.00 0.00 C ATOM 723 CG LEU A 49 -0.503 -4.708 1.123 1.00 0.00 C ATOM 724 CD1 LEU A 49 0.263 -3.750 0.209 1.00 0.00 C ATOM 725 CD2 LEU A 49 -1.852 -4.131 1.557 1.00 0.00 C ATOM 0 H LEU A 49 1.061 -8.381 0.438 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.660 -6.941 2.381 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.018 -6.145 -0.374 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.684 -6.129 0.043 1.00 0.00 H new ATOM 0 HG LEU A 49 0.096 -4.840 2.024 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.374 -2.785 0.704 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.249 -4.163 -0.007 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.287 -3.618 -0.723 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.698 -3.158 2.025 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.496 -4.017 0.685 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.324 -4.806 2.271 1.00 0.00 H new ATOM 737 N THR A 50 -2.712 -8.069 0.944 1.00 0.00 N ATOM 738 CA THR A 50 -3.750 -9.050 0.681 1.00 0.00 C ATOM 739 C THR A 50 -4.917 -8.405 -0.069 1.00 0.00 C ATOM 740 O THR A 50 -4.837 -7.243 -0.466 1.00 0.00 O ATOM 741 CB THR A 50 -4.158 -9.677 2.015 1.00 0.00 C ATOM 742 OG1 THR A 50 -3.185 -9.193 2.938 1.00 0.00 O ATOM 743 CG2 THR A 50 -3.966 -11.195 2.032 1.00 0.00 C ATOM 0 H THR A 50 -3.041 -7.105 1.000 1.00 0.00 H new ATOM 0 HA THR A 50 -3.386 -9.845 0.030 1.00 0.00 H new ATOM 0 HB THR A 50 -5.202 -9.441 2.223 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.375 -9.550 3.831 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.270 -11.589 3.001 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.574 -11.647 1.249 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.916 -11.431 1.858 1.00 0.00 H new ATOM 751 N PRO A 51 -6.001 -9.207 -0.245 1.00 0.00 N ATOM 752 CA PRO A 51 -7.183 -8.726 -0.940 1.00 0.00 C ATOM 753 C PRO A 51 -7.989 -7.772 -0.056 1.00 0.00 C ATOM 754 O PRO A 51 -8.640 -6.856 -0.557 1.00 0.00 O ATOM 755 CB PRO A 51 -7.954 -9.979 -1.318 1.00 0.00 C ATOM 756 CG PRO A 51 -7.419 -11.084 -0.423 1.00 0.00 C ATOM 757 CD PRO A 51 -6.131 -10.587 0.211 1.00 0.00 C ATOM 0 HA PRO A 51 -6.940 -8.141 -1.827 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -9.024 -9.839 -1.168 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -7.809 -10.224 -2.370 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -8.149 -11.340 0.345 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -7.235 -11.989 -1.002 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -6.178 -10.642 1.299 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -5.278 -11.189 -0.102 1.00 0.00 H new ATOM 765 N GLN A 52 -7.919 -8.019 1.243 1.00 0.00 N ATOM 766 CA GLN A 52 -8.634 -7.194 2.202 1.00 0.00 C ATOM 767 C GLN A 52 -8.031 -5.788 2.246 1.00 0.00 C ATOM 768 O GLN A 52 -8.711 -4.807 1.950 1.00 0.00 O ATOM 769 CB GLN A 52 -8.629 -7.837 3.591 1.00 0.00 C ATOM 770 CG GLN A 52 -9.950 -8.558 3.866 1.00 0.00 C ATOM 771 CD GLN A 52 -10.185 -9.676 2.849 1.00 0.00 C ATOM 772 OE1 GLN A 52 -11.193 -9.724 2.162 1.00 0.00 O ATOM 773 NE2 GLN A 52 -9.204 -10.571 2.791 1.00 0.00 N ATOM 0 H GLN A 52 -7.378 -8.779 1.655 1.00 0.00 H new ATOM 0 HA GLN A 52 -9.672 -7.113 1.880 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.802 -8.544 3.666 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -8.463 -7.072 4.349 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.939 -8.974 4.873 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.773 -7.845 3.825 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.387 -10.472 3.394 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -9.268 -11.357 2.144 1.00 0.00 H new ATOM 782 N SER A 53 -6.761 -5.736 2.619 1.00 0.00 N ATOM 783 CA SER A 53 -6.058 -4.466 2.706 1.00 0.00 C ATOM 784 C SER A 53 -6.135 -3.733 1.365 1.00 0.00 C ATOM 785 O SER A 53 -6.201 -2.505 1.328 1.00 0.00 O ATOM 786 CB SER A 53 -4.598 -4.672 3.115 1.00 0.00 C ATOM 787 OG SER A 53 -4.435 -4.667 4.530 1.00 0.00 O ATOM 0 H SER A 53 -6.200 -6.552 2.864 1.00 0.00 H new ATOM 0 HA SER A 53 -6.540 -3.860 3.473 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.239 -5.619 2.712 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.984 -3.885 2.676 1.00 0.00 H new ATOM 0 HG SER A 53 -5.204 -4.225 4.946 1.00 0.00 H new ATOM 793 N LEU A 54 -6.123 -4.517 0.297 1.00 0.00 N ATOM 794 CA LEU A 54 -6.191 -3.957 -1.043 1.00 0.00 C ATOM 795 C LEU A 54 -7.392 -3.013 -1.136 1.00 0.00 C ATOM 796 O LEU A 54 -7.241 -1.797 -1.025 1.00 0.00 O ATOM 797 CB LEU A 54 -6.203 -5.072 -2.090 1.00 0.00 C ATOM 798 CG LEU A 54 -4.996 -5.124 -3.028 1.00 0.00 C ATOM 799 CD1 LEU A 54 -5.288 -5.996 -4.251 1.00 0.00 C ATOM 800 CD2 LEU A 54 -4.546 -3.715 -3.422 1.00 0.00 C ATOM 0 H LEU A 54 -6.067 -5.535 0.332 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.301 -3.364 -1.253 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.277 -6.028 -1.572 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.104 -4.966 -2.695 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.168 -5.588 -2.493 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.413 -6.016 -4.901 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.522 -7.010 -3.927 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.137 -5.584 -4.797 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.686 -3.781 -4.089 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.362 -3.201 -3.931 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.269 -3.158 -2.527 1.00 0.00 H new ATOM 812 N THR A 55 -8.558 -3.609 -1.338 1.00 0.00 N ATOM 813 CA THR A 55 -9.784 -2.836 -1.449 1.00 0.00 C ATOM 814 C THR A 55 -9.773 -1.674 -0.454 1.00 0.00 C ATOM 815 O THR A 55 -10.367 -0.628 -0.709 1.00 0.00 O ATOM 816 CB THR A 55 -10.963 -3.791 -1.254 1.00 0.00 C ATOM 817 OG1 THR A 55 -10.808 -4.751 -2.296 1.00 0.00 O ATOM 818 CG2 THR A 55 -12.309 -3.128 -1.556 1.00 0.00 C ATOM 0 H THR A 55 -8.680 -4.618 -1.428 1.00 0.00 H new ATOM 0 HA THR A 55 -9.876 -2.379 -2.434 1.00 0.00 H new ATOM 0 HB THR A 55 -10.963 -4.163 -0.230 1.00 0.00 H new ATOM 0 HG1 THR A 55 -11.531 -5.411 -2.243 1.00 0.00 H new ATOM 0 HG21 THR A 55 -13.112 -3.849 -1.402 1.00 0.00 H new ATOM 0 HG22 THR A 55 -12.453 -2.277 -0.890 1.00 0.00 H new ATOM 0 HG23 THR A 55 -12.322 -2.786 -2.591 1.00 0.00 H new ATOM 826 N LYS A 56 -9.089 -1.896 0.659 1.00 0.00 N ATOM 827 CA LYS A 56 -8.992 -0.880 1.693 1.00 0.00 C ATOM 828 C LYS A 56 -8.629 0.460 1.053 1.00 0.00 C ATOM 829 O LYS A 56 -9.423 1.399 1.077 1.00 0.00 O ATOM 830 CB LYS A 56 -8.020 -1.322 2.789 1.00 0.00 C ATOM 831 CG LYS A 56 -8.507 -0.873 4.168 1.00 0.00 C ATOM 832 CD LYS A 56 -7.809 0.418 4.603 1.00 0.00 C ATOM 833 CE LYS A 56 -6.293 0.225 4.670 1.00 0.00 C ATOM 834 NZ LYS A 56 -5.805 0.429 6.052 1.00 0.00 N ATOM 0 H LYS A 56 -8.597 -2.765 0.867 1.00 0.00 H new ATOM 0 HA LYS A 56 -9.954 -0.747 2.187 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -7.916 -2.407 2.772 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.032 -0.904 2.594 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.586 -0.717 4.144 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.315 -1.658 4.899 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -8.047 1.218 3.902 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.183 0.727 5.579 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.033 -0.778 4.330 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -5.801 0.927 3.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.768 0.514 6.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -6.221 1.299 6.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -6.082 -0.382 6.641 1.00 0.00 H new ATOM 848 N PHE A 57 -7.428 0.508 0.495 1.00 0.00 N ATOM 849 CA PHE A 57 -6.950 1.718 -0.151 1.00 0.00 C ATOM 850 C PHE A 57 -7.268 1.704 -1.647 1.00 0.00 C ATOM 851 O PHE A 57 -7.079 2.705 -2.336 1.00 0.00 O ATOM 852 CB PHE A 57 -5.432 1.755 0.036 1.00 0.00 C ATOM 853 CG PHE A 57 -4.746 0.403 -0.176 1.00 0.00 C ATOM 854 CD1 PHE A 57 -4.371 0.019 -1.425 1.00 0.00 C ATOM 855 CD2 PHE A 57 -4.512 -0.414 0.886 1.00 0.00 C ATOM 856 CE1 PHE A 57 -3.736 -1.235 -1.621 1.00 0.00 C ATOM 857 CE2 PHE A 57 -3.875 -1.667 0.690 1.00 0.00 C ATOM 858 CZ PHE A 57 -3.501 -2.053 -0.560 1.00 0.00 C ATOM 0 H PHE A 57 -6.772 -0.272 0.477 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.435 2.590 0.287 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -5.008 2.479 -0.660 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -5.209 2.111 1.042 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -4.556 0.668 -2.268 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -4.811 -0.109 1.878 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.439 -1.540 -2.614 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.687 -2.315 1.534 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.018 -3.007 -0.709 1.00 0.00 H new ATOM 868 N GLN A 58 -7.747 0.557 -2.107 1.00 0.00 N ATOM 869 CA GLN A 58 -8.093 0.399 -3.509 1.00 0.00 C ATOM 870 C GLN A 58 -9.404 1.125 -3.817 1.00 0.00 C ATOM 871 O GLN A 58 -9.538 1.753 -4.866 1.00 0.00 O ATOM 872 CB GLN A 58 -8.185 -1.081 -3.887 1.00 0.00 C ATOM 873 CG GLN A 58 -7.156 -1.437 -4.963 1.00 0.00 C ATOM 874 CD GLN A 58 -7.799 -2.247 -6.090 1.00 0.00 C ATOM 875 OE1 GLN A 58 -9.009 -2.286 -6.250 1.00 0.00 O ATOM 876 NE2 GLN A 58 -6.926 -2.892 -6.859 1.00 0.00 N ATOM 0 H GLN A 58 -7.903 -0.272 -1.533 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.302 0.846 -4.111 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -8.020 -1.697 -3.003 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -9.188 -1.306 -4.249 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -6.719 -0.525 -5.369 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -6.342 -2.009 -4.518 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -5.927 -2.816 -6.670 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -7.256 -3.462 -7.638 1.00 0.00 H new ATOM 885 N GLY A 59 -10.338 1.017 -2.884 1.00 0.00 N ATOM 886 CA GLY A 59 -11.633 1.656 -3.042 1.00 0.00 C ATOM 887 C GLY A 59 -11.487 3.177 -3.129 1.00 0.00 C ATOM 888 O GLY A 59 -11.980 3.798 -4.069 1.00 0.00 O ATOM 0 H GLY A 59 -10.223 0.496 -2.015 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -12.120 1.282 -3.943 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.276 1.396 -2.201 1.00 0.00 H new ATOM 892 N LEU A 60 -10.807 3.732 -2.136 1.00 0.00 N ATOM 893 CA LEU A 60 -10.589 5.167 -2.089 1.00 0.00 C ATOM 894 C LEU A 60 -9.507 5.549 -3.101 1.00 0.00 C ATOM 895 O LEU A 60 -9.188 6.726 -3.260 1.00 0.00 O ATOM 896 CB LEU A 60 -10.280 5.616 -0.659 1.00 0.00 C ATOM 897 CG LEU A 60 -8.828 6.004 -0.377 1.00 0.00 C ATOM 898 CD1 LEU A 60 -8.605 7.500 -0.611 1.00 0.00 C ATOM 899 CD2 LEU A 60 -8.408 5.575 1.029 1.00 0.00 C ATOM 0 H LEU A 60 -10.400 3.213 -1.358 1.00 0.00 H new ATOM 0 HA LEU A 60 -11.496 5.699 -2.377 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.916 6.469 -0.422 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.559 4.812 0.022 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.189 5.469 -1.080 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.564 7.750 -0.403 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.837 7.745 -1.648 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.255 8.073 0.051 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.371 5.863 1.203 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.048 6.062 1.764 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.505 4.493 1.123 1.00 0.00 H new ATOM 911 N GLN A 61 -8.972 4.531 -3.759 1.00 0.00 N ATOM 912 CA GLN A 61 -7.932 4.745 -4.751 1.00 0.00 C ATOM 913 C GLN A 61 -8.238 5.995 -5.579 1.00 0.00 C ATOM 914 O GLN A 61 -9.400 6.306 -5.834 1.00 0.00 O ATOM 915 CB GLN A 61 -7.771 3.517 -5.650 1.00 0.00 C ATOM 916 CG GLN A 61 -6.667 3.737 -6.685 1.00 0.00 C ATOM 917 CD GLN A 61 -6.776 2.724 -7.827 1.00 0.00 C ATOM 918 OE1 GLN A 61 -6.350 1.586 -7.724 1.00 0.00 O ATOM 919 NE2 GLN A 61 -7.369 3.200 -8.918 1.00 0.00 N ATOM 0 H GLN A 61 -9.239 3.556 -3.625 1.00 0.00 H new ATOM 0 HA GLN A 61 -6.987 4.900 -4.231 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -7.535 2.644 -5.041 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -8.713 3.307 -6.157 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -6.734 4.749 -7.084 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -5.692 3.647 -6.206 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -7.703 4.164 -8.938 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -7.490 2.602 -9.735 1.00 0.00 H new ATOM 928 N GLY A 62 -7.174 6.676 -5.977 1.00 0.00 N ATOM 929 CA GLY A 62 -7.313 7.885 -6.771 1.00 0.00 C ATOM 930 C GLY A 62 -7.180 9.134 -5.897 1.00 0.00 C ATOM 931 O GLY A 62 -6.765 10.189 -6.374 1.00 0.00 O ATOM 0 H GLY A 62 -6.211 6.414 -5.765 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.553 7.901 -7.552 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.282 7.887 -7.270 1.00 0.00 H new ATOM 935 N ASP A 63 -7.539 8.973 -4.632 1.00 0.00 N ATOM 936 CA ASP A 63 -7.465 10.074 -3.686 1.00 0.00 C ATOM 937 C ASP A 63 -6.402 9.764 -2.632 1.00 0.00 C ATOM 938 O ASP A 63 -6.206 10.538 -1.696 1.00 0.00 O ATOM 939 CB ASP A 63 -8.801 10.274 -2.967 1.00 0.00 C ATOM 940 CG ASP A 63 -9.253 11.729 -2.834 1.00 0.00 C ATOM 941 OD1 ASP A 63 -8.357 12.591 -2.698 1.00 0.00 O ATOM 942 OD2 ASP A 63 -10.483 11.947 -2.870 1.00 0.00 O ATOM 0 H ASP A 63 -7.882 8.096 -4.240 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.216 10.979 -4.240 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.571 9.718 -3.502 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.728 9.839 -1.970 1.00 0.00 H new ATOM 947 N LEU A 64 -5.742 8.630 -2.818 1.00 0.00 N ATOM 948 CA LEU A 64 -4.703 8.209 -1.893 1.00 0.00 C ATOM 949 C LEU A 64 -3.685 7.342 -2.638 1.00 0.00 C ATOM 950 O LEU A 64 -2.479 7.529 -2.491 1.00 0.00 O ATOM 951 CB LEU A 64 -5.318 7.524 -0.671 1.00 0.00 C ATOM 952 CG LEU A 64 -4.440 6.484 0.027 1.00 0.00 C ATOM 953 CD1 LEU A 64 -3.265 7.151 0.744 1.00 0.00 C ATOM 954 CD2 LEU A 64 -5.270 5.614 0.975 1.00 0.00 C ATOM 0 H LEU A 64 -5.906 7.990 -3.595 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.164 9.074 -1.506 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.585 8.292 0.055 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.245 7.040 -0.979 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.021 5.825 -0.733 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.657 6.389 1.232 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.656 7.692 0.019 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.643 7.847 1.492 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.622 4.883 1.459 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.736 6.244 1.733 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.044 5.095 0.409 1.00 0.00 H new ATOM 966 N ILE A 65 -4.210 6.409 -3.420 1.00 0.00 N ATOM 967 CA ILE A 65 -3.363 5.512 -4.187 1.00 0.00 C ATOM 968 C ILE A 65 -3.262 6.020 -5.626 1.00 0.00 C ATOM 969 O ILE A 65 -4.269 6.120 -6.326 1.00 0.00 O ATOM 970 CB ILE A 65 -3.870 4.073 -4.077 1.00 0.00 C ATOM 971 CG1 ILE A 65 -3.800 3.575 -2.631 1.00 0.00 C ATOM 972 CG2 ILE A 65 -3.115 3.151 -5.037 1.00 0.00 C ATOM 973 CD1 ILE A 65 -2.350 3.357 -2.196 1.00 0.00 C ATOM 0 H ILE A 65 -5.211 6.255 -3.538 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.352 5.501 -3.781 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.919 4.057 -4.373 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.277 4.299 -1.970 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.356 2.642 -2.537 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.495 2.134 -4.939 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.260 3.495 -6.061 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -2.052 3.166 -4.796 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.329 3.003 -1.165 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.883 2.615 -2.844 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.803 4.297 -2.268 1.00 0.00 H new ATOM 985 N ASP A 66 -2.036 6.327 -6.026 1.00 0.00 N ATOM 986 CA ASP A 66 -1.791 6.822 -7.370 1.00 0.00 C ATOM 987 C ASP A 66 -1.689 5.638 -8.334 1.00 0.00 C ATOM 988 O ASP A 66 -2.176 5.709 -9.462 1.00 0.00 O ATOM 989 CB ASP A 66 -0.476 7.601 -7.438 1.00 0.00 C ATOM 990 CG ASP A 66 -0.570 8.973 -8.110 1.00 0.00 C ATOM 991 OD1 ASP A 66 -1.717 9.432 -8.302 1.00 0.00 O ATOM 992 OD2 ASP A 66 0.506 9.530 -8.416 1.00 0.00 O ATOM 0 H ASP A 66 -1.203 6.243 -5.444 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.616 7.481 -7.643 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.098 7.735 -6.425 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.258 7.000 -7.975 1.00 0.00 H new ATOM 997 N SER A 67 -1.054 4.580 -7.856 1.00 0.00 N ATOM 998 CA SER A 67 -0.881 3.383 -8.662 1.00 0.00 C ATOM 999 C SER A 67 -0.868 2.145 -7.763 1.00 0.00 C ATOM 1000 O SER A 67 -0.238 2.146 -6.707 1.00 0.00 O ATOM 1001 CB SER A 67 0.405 3.454 -9.486 1.00 0.00 C ATOM 1002 OG SER A 67 0.432 4.597 -10.336 1.00 0.00 O ATOM 0 H SER A 67 -0.652 4.526 -6.920 1.00 0.00 H new ATOM 0 HA SER A 67 -1.720 3.313 -9.355 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.264 3.480 -8.816 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.499 2.551 -10.089 1.00 0.00 H new ATOM 0 HG SER A 67 1.270 4.607 -10.844 1.00 0.00 H new ATOM 1008 N ILE A 68 -1.571 1.117 -8.215 1.00 0.00 N ATOM 1009 CA ILE A 68 -1.648 -0.125 -7.464 1.00 0.00 C ATOM 1010 C ILE A 68 -1.114 -1.271 -8.327 1.00 0.00 C ATOM 1011 O ILE A 68 -1.642 -1.541 -9.404 1.00 0.00 O ATOM 1012 CB ILE A 68 -3.072 -0.355 -6.951 1.00 0.00 C ATOM 1013 CG1 ILE A 68 -3.057 -1.005 -5.567 1.00 0.00 C ATOM 1014 CG2 ILE A 68 -3.893 -1.165 -7.957 1.00 0.00 C ATOM 1015 CD1 ILE A 68 -4.009 -0.282 -4.611 1.00 0.00 C ATOM 0 H ILE A 68 -2.092 1.118 -9.092 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.018 -0.072 -6.576 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.559 0.615 -6.846 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.346 -2.053 -5.650 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.045 -0.985 -5.163 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.900 -1.314 -7.568 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.945 -0.625 -8.903 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.419 -2.133 -8.118 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.979 -0.764 -3.634 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.703 0.759 -4.511 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -5.024 -0.325 -5.006 1.00 0.00 H new ATOM 1027 N GLU A 69 -0.071 -1.913 -7.821 1.00 0.00 N ATOM 1028 CA GLU A 69 0.540 -3.024 -8.530 1.00 0.00 C ATOM 1029 C GLU A 69 0.504 -4.288 -7.671 1.00 0.00 C ATOM 1030 O GLU A 69 1.540 -4.743 -7.187 1.00 0.00 O ATOM 1031 CB GLU A 69 1.973 -2.684 -8.948 1.00 0.00 C ATOM 1032 CG GLU A 69 2.296 -3.269 -10.325 1.00 0.00 C ATOM 1033 CD GLU A 69 3.601 -2.689 -10.874 1.00 0.00 C ATOM 1034 OE1 GLU A 69 4.658 -3.029 -10.301 1.00 0.00 O ATOM 1035 OE2 GLU A 69 3.511 -1.921 -11.856 1.00 0.00 O ATOM 0 H GLU A 69 0.366 -1.685 -6.928 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.034 -3.211 -9.437 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.102 -1.602 -8.969 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.673 -3.074 -8.210 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.378 -4.354 -10.253 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.480 -3.056 -11.015 1.00 0.00 H new ATOM 1042 N GLU A 70 -0.697 -4.821 -7.507 1.00 0.00 N ATOM 1043 CA GLU A 70 -0.881 -6.024 -6.714 1.00 0.00 C ATOM 1044 C GLU A 70 -0.167 -7.207 -7.371 1.00 0.00 C ATOM 1045 O GLU A 70 -0.384 -7.493 -8.548 1.00 0.00 O ATOM 1046 CB GLU A 70 -2.368 -6.325 -6.512 1.00 0.00 C ATOM 1047 CG GLU A 70 -3.082 -6.491 -7.854 1.00 0.00 C ATOM 1048 CD GLU A 70 -4.100 -5.371 -8.075 1.00 0.00 C ATOM 1049 OE1 GLU A 70 -4.632 -4.878 -7.057 1.00 0.00 O ATOM 1050 OE2 GLU A 70 -4.326 -5.034 -9.258 1.00 0.00 O ATOM 0 H GLU A 70 -1.554 -4.441 -7.910 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.440 -5.859 -5.731 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.481 -7.234 -5.921 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.832 -5.517 -5.947 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -2.351 -6.487 -8.662 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.586 -7.457 -7.885 1.00 0.00 H new ATOM 1057 N ASP A 71 0.671 -7.863 -6.582 1.00 0.00 N ATOM 1058 CA ASP A 71 1.420 -9.009 -7.072 1.00 0.00 C ATOM 1059 C ASP A 71 1.147 -10.214 -6.170 1.00 0.00 C ATOM 1060 O ASP A 71 1.916 -11.174 -6.162 1.00 0.00 O ATOM 1061 CB ASP A 71 2.924 -8.733 -7.051 1.00 0.00 C ATOM 1062 CG ASP A 71 3.760 -9.647 -7.949 1.00 0.00 C ATOM 1063 OD1 ASP A 71 3.389 -10.836 -8.053 1.00 0.00 O ATOM 1064 OD2 ASP A 71 4.754 -9.137 -8.511 1.00 0.00 O ATOM 0 H ASP A 71 0.848 -7.623 -5.607 1.00 0.00 H new ATOM 0 HA ASP A 71 1.104 -9.206 -8.096 1.00 0.00 H new ATOM 0 HB2 ASP A 71 3.093 -7.699 -7.352 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.282 -8.829 -6.026 1.00 0.00 H new ATOM 1069 N GLY A 72 0.050 -10.124 -5.432 1.00 0.00 N ATOM 1070 CA GLY A 72 -0.333 -11.195 -4.527 1.00 0.00 C ATOM 1071 C GLY A 72 -0.676 -12.470 -5.303 1.00 0.00 C ATOM 1072 O GLY A 72 0.105 -13.421 -5.317 1.00 0.00 O ATOM 0 H GLY A 72 -0.586 -9.326 -5.442 1.00 0.00 H new ATOM 0 HA2 GLY A 72 0.481 -11.396 -3.830 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -1.192 -10.884 -3.932 1.00 0.00 H new ATOM 1076 N ILE A 73 -1.844 -12.449 -5.927 1.00 0.00 N ATOM 1077 CA ILE A 73 -2.299 -13.591 -6.701 1.00 0.00 C ATOM 1078 C ILE A 73 -2.008 -13.345 -8.183 1.00 0.00 C ATOM 1079 O ILE A 73 -2.473 -12.361 -8.756 1.00 0.00 O ATOM 1080 CB ILE A 73 -3.771 -13.886 -6.405 1.00 0.00 C ATOM 1081 CG1 ILE A 73 -4.220 -15.177 -7.093 1.00 0.00 C ATOM 1082 CG2 ILE A 73 -4.656 -12.698 -6.782 1.00 0.00 C ATOM 1083 CD1 ILE A 73 -5.459 -15.761 -6.410 1.00 0.00 C ATOM 0 H ILE A 73 -2.489 -11.659 -5.912 1.00 0.00 H new ATOM 0 HA ILE A 73 -1.753 -14.489 -6.413 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.879 -14.038 -5.331 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.439 -14.977 -8.142 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.410 -15.906 -7.070 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.697 -12.935 -6.561 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.354 -11.822 -6.208 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.550 -12.488 -7.846 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.757 -16.678 -6.919 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -5.229 -15.983 -5.368 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.274 -15.039 -6.456 1.00 0.00 H new ATOM 1095 N VAL A 74 -1.239 -14.257 -8.762 1.00 0.00 N ATOM 1096 CA VAL A 74 -0.881 -14.152 -10.166 1.00 0.00 C ATOM 1097 C VAL A 74 -1.621 -15.230 -10.960 1.00 0.00 C ATOM 1098 O VAL A 74 -2.170 -14.954 -12.025 1.00 0.00 O ATOM 1099 CB VAL A 74 0.639 -14.230 -10.324 1.00 0.00 C ATOM 1100 CG1 VAL A 74 1.166 -15.599 -9.889 1.00 0.00 C ATOM 1101 CG2 VAL A 74 1.057 -13.915 -11.761 1.00 0.00 C ATOM 0 H VAL A 74 -0.854 -15.072 -8.284 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.188 -13.186 -10.567 1.00 0.00 H new ATOM 0 HB VAL A 74 1.082 -13.477 -9.672 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.249 -15.628 -10.011 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.914 -15.770 -8.842 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.711 -16.376 -10.503 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.142 -13.977 -11.846 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.598 -14.634 -12.439 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.730 -12.909 -12.023 1.00 0.00 H new ATOM 1111 N THR A 75 -1.613 -16.435 -10.409 1.00 0.00 N ATOM 1112 CA THR A 75 -2.277 -17.556 -11.051 1.00 0.00 C ATOM 1113 C THR A 75 -1.677 -17.808 -12.436 1.00 0.00 C ATOM 1114 O THR A 75 -1.178 -16.886 -13.078 1.00 0.00 O ATOM 1115 CB THR A 75 -3.778 -17.261 -11.083 1.00 0.00 C ATOM 1116 OG1 THR A 75 -4.121 -17.054 -9.716 1.00 0.00 O ATOM 1117 CG2 THR A 75 -4.606 -18.481 -11.495 1.00 0.00 C ATOM 0 H THR A 75 -1.157 -16.659 -9.525 1.00 0.00 H new ATOM 0 HA THR A 75 -2.125 -18.479 -10.492 1.00 0.00 H new ATOM 0 HB THR A 75 -3.972 -16.441 -11.774 1.00 0.00 H new ATOM 0 HG1 THR A 75 -5.078 -16.855 -9.645 1.00 0.00 H new ATOM 0 HG21 THR A 75 -5.664 -18.218 -11.502 1.00 0.00 H new ATOM 0 HG22 THR A 75 -4.306 -18.804 -12.492 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.438 -19.291 -10.785 1.00 0.00 H new ATOM 1125 N THR A 76 -1.746 -19.064 -12.856 1.00 0.00 N ATOM 1126 CA THR A 76 -1.216 -19.449 -14.153 1.00 0.00 C ATOM 1127 C THR A 76 0.309 -19.341 -14.158 1.00 0.00 C ATOM 1128 O THR A 76 1.007 -20.352 -14.102 1.00 0.00 O ATOM 1129 CB THR A 76 -1.891 -18.580 -15.216 1.00 0.00 C ATOM 1130 OG1 THR A 76 -3.284 -18.742 -14.965 1.00 0.00 O ATOM 1131 CG2 THR A 76 -1.700 -19.132 -16.631 1.00 0.00 C ATOM 0 H THR A 76 -2.161 -19.827 -12.321 1.00 0.00 H new ATOM 0 HA THR A 76 -1.437 -20.492 -14.378 1.00 0.00 H new ATOM 0 HB THR A 76 -1.491 -17.567 -15.164 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.796 -18.210 -15.609 1.00 0.00 H new ATOM 0 HG21 THR A 76 -2.198 -18.478 -17.347 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.636 -19.179 -16.862 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.130 -20.132 -16.693 1.00 0.00 H new ATOM 1139 N GLN A 77 0.784 -18.105 -14.227 1.00 0.00 N ATOM 1140 CA GLN A 77 2.215 -17.852 -14.240 1.00 0.00 C ATOM 1141 C GLN A 77 2.779 -17.916 -12.820 1.00 0.00 C ATOM 1142 O GLN A 77 3.074 -18.997 -12.314 1.00 0.00 O ATOM 1143 CB GLN A 77 2.526 -16.505 -14.895 1.00 0.00 C ATOM 1144 CG GLN A 77 3.739 -16.613 -15.822 1.00 0.00 C ATOM 1145 CD GLN A 77 3.301 -16.834 -17.272 1.00 0.00 C ATOM 1146 OE1 GLN A 77 2.380 -16.210 -17.771 1.00 0.00 O ATOM 1147 NE2 GLN A 77 4.013 -17.754 -17.916 1.00 0.00 N ATOM 0 H GLN A 77 0.203 -17.268 -14.274 1.00 0.00 H new ATOM 0 HA GLN A 77 2.697 -18.628 -14.835 1.00 0.00 H new ATOM 0 HB2 GLN A 77 1.660 -16.164 -15.462 1.00 0.00 H new ATOM 0 HB3 GLN A 77 2.718 -15.758 -14.125 1.00 0.00 H new ATOM 0 HG2 GLN A 77 4.336 -15.704 -15.753 1.00 0.00 H new ATOM 0 HG3 GLN A 77 4.375 -17.438 -15.500 1.00 0.00 H new ATOM 0 HE21 GLN A 77 4.772 -18.239 -17.437 1.00 0.00 H new ATOM 0 HE22 GLN A 77 3.800 -17.975 -18.889 1.00 0.00 H new TER 1156 GLN A 77