USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 619 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 13 THR OG1 : rot 64:sc= 1.1 USER MOD Set 1.2: A 41 GLN : amide:sc= 0.755 K(o=1.9,f=0.57) USER MOD Set 2.1: A 7 MET CE :methyl 162:sc= -0.308 (180deg=-0.385) USER MOD Set 2.2: A 57 MET CE :methyl 170:sc= -0.691 (180deg=-1.65) USER MOD Single : A 1 GLY N :NH3+ -129:sc= 0.982 (180deg=-1.52!) USER MOD Single : A 6 LYS NZ :NH3+ -166:sc= 1.22 (180deg=0.882) USER MOD Single : A 8 LYS NZ :NH3+ -137:sc= 0.806 (180deg=0.343!) USER MOD Single : A 12 MET CE :methyl 176:sc= 0 (180deg=-0.0319) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= -0.025 USER MOD Single : A 18 THR OG1 : rot -93:sc= 1.07 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 85:sc= 1.25 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.0078) USER MOD Single : A 32 GLN : amide:sc= -2.44! K(o=-2.4!,f=-1.1) USER MOD Single : A 35 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0276) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.149 X(o=-0.15,f=-0.57) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0.488 K(o=0.49,f=-1.2) USER MOD Single : A 50 HIS : no HD1:sc= -0.293 X(o=-0.29,f=-0.28) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 157:sc= 0.441 (180deg=-2.12!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= 1.03 K(o=1,f=-0.73) USER MOD Single : A 64 MET CE :methyl 179:sc= 0 (180deg=-0.00104) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 172:sc= 1.14 (180deg=1.01) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.276 2.291 16.802 1.00 0.00 N ATOM 2 CA GLY A 1 1.919 0.872 16.663 1.00 0.00 C ATOM 3 C GLY A 1 1.205 0.693 15.331 1.00 0.00 C ATOM 4 O GLY A 1 -0.017 0.790 15.268 1.00 0.00 O ATOM 0 H1 GLY A 1 3.284 2.373 17.044 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.094 2.784 15.905 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.703 2.721 17.556 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.813 0.249 16.703 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.275 0.559 17.485 1.00 0.00 H new ATOM 10 N GLU A 2 1.995 0.525 14.272 1.00 0.00 N ATOM 11 CA GLU A 2 1.566 0.693 12.896 1.00 0.00 C ATOM 12 C GLU A 2 1.545 -0.684 12.233 1.00 0.00 C ATOM 13 O GLU A 2 2.368 -1.529 12.579 1.00 0.00 O ATOM 14 CB GLU A 2 2.548 1.653 12.211 1.00 0.00 C ATOM 15 CG GLU A 2 2.957 2.838 13.115 1.00 0.00 C ATOM 16 CD GLU A 2 1.765 3.635 13.630 1.00 0.00 C ATOM 17 OE1 GLU A 2 1.046 4.171 12.768 1.00 0.00 O ATOM 18 OE2 GLU A 2 1.582 3.696 14.873 1.00 0.00 O ATOM 0 H GLU A 2 2.977 0.261 14.356 1.00 0.00 H new ATOM 0 HA GLU A 2 0.565 1.118 12.822 1.00 0.00 H new ATOM 0 HB2 GLU A 2 3.441 1.102 11.916 1.00 0.00 H new ATOM 0 HB3 GLU A 2 2.095 2.038 11.298 1.00 0.00 H new ATOM 0 HG2 GLU A 2 3.528 2.460 13.963 1.00 0.00 H new ATOM 0 HG3 GLU A 2 3.617 3.502 12.557 1.00 0.00 H new ATOM 25 N VAL A 3 0.604 -0.932 11.318 1.00 0.00 N ATOM 26 CA VAL A 3 0.359 -2.251 10.774 1.00 0.00 C ATOM 27 C VAL A 3 0.863 -2.309 9.332 1.00 0.00 C ATOM 28 O VAL A 3 0.567 -1.410 8.541 1.00 0.00 O ATOM 29 CB VAL A 3 -1.109 -2.636 10.974 1.00 0.00 C ATOM 30 CG1 VAL A 3 -1.499 -2.604 12.460 1.00 0.00 C ATOM 31 CG2 VAL A 3 -2.063 -1.785 10.156 1.00 0.00 C ATOM 0 H VAL A 3 -0.009 -0.211 10.937 1.00 0.00 H new ATOM 0 HA VAL A 3 0.924 -3.014 11.310 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.203 -3.659 10.609 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.547 -2.882 12.567 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.878 -3.308 13.014 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -1.348 -1.599 12.854 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.088 -2.107 10.341 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -1.954 -0.739 10.442 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.833 -1.897 9.096 1.00 0.00 H new ATOM 41 N VAL A 4 1.660 -3.334 9.001 1.00 0.00 N ATOM 42 CA VAL A 4 2.182 -3.535 7.658 1.00 0.00 C ATOM 43 C VAL A 4 1.142 -4.353 6.888 1.00 0.00 C ATOM 44 O VAL A 4 0.773 -5.451 7.311 1.00 0.00 O ATOM 45 CB VAL A 4 3.592 -4.181 7.713 1.00 0.00 C ATOM 46 CG1 VAL A 4 3.730 -5.482 6.916 1.00 0.00 C ATOM 47 CG2 VAL A 4 4.662 -3.236 7.157 1.00 0.00 C ATOM 0 H VAL A 4 1.958 -4.047 9.667 1.00 0.00 H new ATOM 0 HA VAL A 4 2.332 -2.593 7.130 1.00 0.00 H new ATOM 0 HB VAL A 4 3.731 -4.393 8.773 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.747 -5.861 7.012 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.029 -6.222 7.303 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.512 -5.290 5.865 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.638 -3.719 7.210 1.00 0.00 H new ATOM 0 HG22 VAL A 4 4.432 -2.996 6.119 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.679 -2.319 7.746 1.00 0.00 H new ATOM 57 N LEU A 5 0.665 -3.814 5.766 1.00 0.00 N ATOM 58 CA LEU A 5 -0.193 -4.529 4.835 1.00 0.00 C ATOM 59 C LEU A 5 0.646 -4.842 3.609 1.00 0.00 C ATOM 60 O LEU A 5 1.311 -3.944 3.089 1.00 0.00 O ATOM 61 CB LEU A 5 -1.402 -3.668 4.460 1.00 0.00 C ATOM 62 CG LEU A 5 -2.617 -3.917 5.365 1.00 0.00 C ATOM 63 CD1 LEU A 5 -3.318 -5.248 5.061 1.00 0.00 C ATOM 64 CD2 LEU A 5 -2.259 -3.823 6.848 1.00 0.00 C ATOM 0 H LEU A 5 0.869 -2.857 5.479 1.00 0.00 H new ATOM 0 HA LEU A 5 -0.575 -5.447 5.281 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.123 -2.616 4.516 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -1.679 -3.870 3.425 1.00 0.00 H new ATOM 0 HG LEU A 5 -3.323 -3.118 5.138 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -4.169 -5.372 5.730 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -3.665 -5.249 4.028 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.618 -6.070 5.209 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -3.149 -4.006 7.450 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.500 -4.568 7.087 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -1.872 -2.828 7.066 1.00 0.00 H new ATOM 76 N LYS A 6 0.624 -6.106 3.169 1.00 0.00 N ATOM 77 CA LYS A 6 1.399 -6.574 2.039 1.00 0.00 C ATOM 78 C LYS A 6 0.389 -6.998 0.977 1.00 0.00 C ATOM 79 O LYS A 6 -0.461 -7.859 1.229 1.00 0.00 O ATOM 80 CB LYS A 6 2.308 -7.730 2.483 1.00 0.00 C ATOM 81 CG LYS A 6 3.676 -7.714 1.801 1.00 0.00 C ATOM 82 CD LYS A 6 4.673 -6.913 2.645 1.00 0.00 C ATOM 83 CE LYS A 6 6.060 -6.853 1.992 1.00 0.00 C ATOM 84 NZ LYS A 6 6.657 -8.186 1.771 1.00 0.00 N ATOM 0 H LYS A 6 0.056 -6.834 3.602 1.00 0.00 H new ATOM 0 HA LYS A 6 2.057 -5.806 1.633 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.447 -7.681 3.563 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.813 -8.677 2.268 1.00 0.00 H new ATOM 0 HG2 LYS A 6 4.037 -8.734 1.667 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.591 -7.273 0.808 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.296 -5.901 2.788 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.757 -7.365 3.633 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.983 -6.334 1.037 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.726 -6.264 2.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.669 -8.082 1.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.544 -8.763 2.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.179 -8.653 0.974 1.00 0.00 H new ATOM 98 N MET A 7 0.449 -6.349 -0.181 1.00 0.00 N ATOM 99 CA MET A 7 -0.484 -6.508 -1.270 1.00 0.00 C ATOM 100 C MET A 7 0.290 -6.839 -2.533 1.00 0.00 C ATOM 101 O MET A 7 1.161 -6.076 -2.942 1.00 0.00 O ATOM 102 CB MET A 7 -1.319 -5.236 -1.437 1.00 0.00 C ATOM 103 CG MET A 7 -0.578 -3.953 -1.076 1.00 0.00 C ATOM 104 SD MET A 7 -1.451 -2.404 -1.400 1.00 0.00 S ATOM 105 CE MET A 7 -2.566 -2.370 0.020 1.00 0.00 C ATOM 0 H MET A 7 1.183 -5.671 -0.386 1.00 0.00 H new ATOM 0 HA MET A 7 -1.174 -7.325 -1.059 1.00 0.00 H new ATOM 0 HB2 MET A 7 -1.657 -5.169 -2.471 1.00 0.00 H new ATOM 0 HB3 MET A 7 -2.211 -5.315 -0.815 1.00 0.00 H new ATOM 0 HG2 MET A 7 -0.328 -3.989 -0.016 1.00 0.00 H new ATOM 0 HG3 MET A 7 0.364 -3.936 -1.625 1.00 0.00 H new ATOM 0 HE1 MET A 7 -2.945 -1.358 0.161 1.00 0.00 H new ATOM 0 HE2 MET A 7 -3.400 -3.049 -0.156 1.00 0.00 H new ATOM 0 HE3 MET A 7 -2.026 -2.683 0.914 1.00 0.00 H new ATOM 115 N LYS A 8 -0.025 -7.974 -3.152 1.00 0.00 N ATOM 116 CA LYS A 8 0.556 -8.286 -4.450 1.00 0.00 C ATOM 117 C LYS A 8 -0.064 -7.324 -5.451 1.00 0.00 C ATOM 118 O LYS A 8 -1.264 -7.084 -5.351 1.00 0.00 O ATOM 119 CB LYS A 8 0.272 -9.728 -4.867 1.00 0.00 C ATOM 120 CG LYS A 8 1.044 -10.748 -4.031 1.00 0.00 C ATOM 121 CD LYS A 8 0.436 -11.001 -2.645 1.00 0.00 C ATOM 122 CE LYS A 8 1.115 -12.194 -1.956 1.00 0.00 C ATOM 123 NZ LYS A 8 2.177 -11.767 -1.026 1.00 0.00 N ATOM 0 H LYS A 8 -0.665 -8.678 -2.784 1.00 0.00 H new ATOM 0 HA LYS A 8 1.640 -8.180 -4.407 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.796 -9.924 -4.776 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.531 -9.855 -5.918 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.088 -11.691 -4.576 1.00 0.00 H new ATOM 0 HG3 LYS A 8 2.070 -10.402 -3.909 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.545 -10.109 -2.028 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.633 -11.192 -2.742 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.368 -12.771 -1.412 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.540 -12.855 -2.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 3.007 -12.384 -1.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.445 -10.784 -1.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.829 -11.832 -0.048 1.00 0.00 H new ATOM 137 N VAL A 9 0.715 -6.775 -6.383 1.00 0.00 N ATOM 138 CA VAL A 9 0.212 -5.915 -7.435 1.00 0.00 C ATOM 139 C VAL A 9 0.694 -6.472 -8.767 1.00 0.00 C ATOM 140 O VAL A 9 1.809 -6.972 -8.857 1.00 0.00 O ATOM 141 CB VAL A 9 0.692 -4.473 -7.230 1.00 0.00 C ATOM 142 CG1 VAL A 9 -0.001 -3.824 -6.028 1.00 0.00 C ATOM 143 CG2 VAL A 9 2.213 -4.361 -7.091 1.00 0.00 C ATOM 0 H VAL A 9 1.724 -6.921 -6.422 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.878 -5.894 -7.418 1.00 0.00 H new ATOM 0 HB VAL A 9 0.414 -3.932 -8.135 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.360 -2.802 -5.908 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.078 -3.811 -6.192 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.222 -4.396 -5.127 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.489 -3.316 -6.948 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.544 -4.944 -6.232 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.690 -4.742 -7.994 1.00 0.00 H new ATOM 153 N GLU A 10 -0.143 -6.375 -9.794 1.00 0.00 N ATOM 154 CA GLU A 10 0.189 -6.850 -11.126 1.00 0.00 C ATOM 155 C GLU A 10 0.754 -5.688 -11.941 1.00 0.00 C ATOM 156 O GLU A 10 0.419 -4.527 -11.704 1.00 0.00 O ATOM 157 CB GLU A 10 -1.059 -7.437 -11.796 1.00 0.00 C ATOM 158 CG GLU A 10 -1.650 -8.622 -11.011 1.00 0.00 C ATOM 159 CD GLU A 10 -0.735 -9.843 -11.002 1.00 0.00 C ATOM 160 OE1 GLU A 10 -0.131 -10.105 -12.065 1.00 0.00 O ATOM 161 OE2 GLU A 10 -0.686 -10.505 -9.943 1.00 0.00 O ATOM 0 H GLU A 10 -1.073 -5.963 -9.723 1.00 0.00 H new ATOM 0 HA GLU A 10 0.940 -7.637 -11.066 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.815 -6.658 -11.894 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.806 -7.764 -12.804 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.843 -8.311 -9.984 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.611 -8.897 -11.447 1.00 0.00 H new ATOM 168 N GLY A 11 1.612 -5.989 -12.915 1.00 0.00 N ATOM 169 CA GLY A 11 2.016 -5.043 -13.952 1.00 0.00 C ATOM 170 C GLY A 11 3.080 -4.035 -13.505 1.00 0.00 C ATOM 171 O GLY A 11 3.938 -3.658 -14.301 1.00 0.00 O ATOM 0 H GLY A 11 2.050 -6.906 -13.006 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.397 -5.600 -14.808 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.136 -4.498 -14.293 1.00 0.00 H new ATOM 175 N MET A 12 3.019 -3.562 -12.257 1.00 0.00 N ATOM 176 CA MET A 12 3.941 -2.561 -11.736 1.00 0.00 C ATOM 177 C MET A 12 5.347 -3.144 -11.544 1.00 0.00 C ATOM 178 O MET A 12 5.746 -3.486 -10.433 1.00 0.00 O ATOM 179 CB MET A 12 3.419 -2.008 -10.413 1.00 0.00 C ATOM 180 CG MET A 12 2.096 -1.238 -10.544 1.00 0.00 C ATOM 181 SD MET A 12 1.131 -1.115 -9.016 1.00 0.00 S ATOM 182 CE MET A 12 2.320 -0.318 -7.917 1.00 0.00 C ATOM 0 H MET A 12 2.322 -3.868 -11.579 1.00 0.00 H new ATOM 0 HA MET A 12 4.008 -1.753 -12.464 1.00 0.00 H new ATOM 0 HB2 MET A 12 3.281 -2.833 -9.714 1.00 0.00 H new ATOM 0 HB3 MET A 12 4.172 -1.348 -9.983 1.00 0.00 H new ATOM 0 HG2 MET A 12 2.312 -0.231 -10.902 1.00 0.00 H new ATOM 0 HG3 MET A 12 1.484 -1.723 -11.305 1.00 0.00 H new ATOM 0 HE1 MET A 12 1.846 -0.111 -6.957 1.00 0.00 H new ATOM 0 HE2 MET A 12 3.174 -0.978 -7.765 1.00 0.00 H new ATOM 0 HE3 MET A 12 2.658 0.617 -8.364 1.00 0.00 H new ATOM 192 N THR A 13 6.099 -3.227 -12.636 1.00 0.00 N ATOM 193 CA THR A 13 7.413 -3.861 -12.696 1.00 0.00 C ATOM 194 C THR A 13 8.531 -2.840 -12.949 1.00 0.00 C ATOM 195 O THR A 13 9.577 -3.209 -13.481 1.00 0.00 O ATOM 196 CB THR A 13 7.413 -4.947 -13.788 1.00 0.00 C ATOM 197 OG1 THR A 13 6.137 -5.540 -13.891 1.00 0.00 O ATOM 198 CG2 THR A 13 8.406 -6.071 -13.477 1.00 0.00 C ATOM 0 H THR A 13 5.802 -2.843 -13.533 1.00 0.00 H new ATOM 0 HA THR A 13 7.613 -4.319 -11.727 1.00 0.00 H new ATOM 0 HB THR A 13 7.696 -4.450 -14.716 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.486 -4.868 -14.182 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.374 -6.815 -14.272 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.412 -5.658 -13.407 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.140 -6.540 -12.530 1.00 0.00 H new ATOM 206 N CYS A 14 8.337 -1.564 -12.602 1.00 0.00 N ATOM 207 CA CYS A 14 9.298 -0.528 -12.943 1.00 0.00 C ATOM 208 C CYS A 14 9.114 0.712 -12.073 1.00 0.00 C ATOM 209 O CYS A 14 8.115 0.877 -11.367 1.00 0.00 O ATOM 210 CB CYS A 14 9.197 -0.208 -14.443 1.00 0.00 C ATOM 211 SG CYS A 14 7.519 0.013 -15.094 1.00 0.00 S ATOM 0 H CYS A 14 7.523 -1.231 -12.086 1.00 0.00 H new ATOM 0 HA CYS A 14 10.304 -0.894 -12.740 1.00 0.00 H new ATOM 0 HB2 CYS A 14 9.765 0.701 -14.640 1.00 0.00 H new ATOM 0 HB3 CYS A 14 9.679 -1.012 -15.000 1.00 0.00 H new ATOM 216 N HIS A 15 10.119 1.589 -12.128 1.00 0.00 N ATOM 217 CA HIS A 15 10.025 2.926 -11.578 1.00 0.00 C ATOM 218 C HIS A 15 8.952 3.711 -12.334 1.00 0.00 C ATOM 219 O HIS A 15 8.453 3.289 -13.376 1.00 0.00 O ATOM 220 CB HIS A 15 11.398 3.610 -11.628 1.00 0.00 C ATOM 221 CG HIS A 15 12.388 2.977 -10.684 1.00 0.00 C ATOM 222 ND1 HIS A 15 12.489 3.228 -9.333 1.00 0.00 N ATOM 223 CD2 HIS A 15 13.298 2.001 -10.992 1.00 0.00 C ATOM 224 CE1 HIS A 15 13.449 2.424 -8.844 1.00 0.00 C ATOM 225 NE2 HIS A 15 13.973 1.661 -9.817 1.00 0.00 N ATOM 0 H HIS A 15 11.020 1.383 -12.559 1.00 0.00 H new ATOM 0 HA HIS A 15 9.727 2.884 -10.530 1.00 0.00 H new ATOM 0 HB2 HIS A 15 11.788 3.563 -12.645 1.00 0.00 H new ATOM 0 HB3 HIS A 15 11.285 4.665 -11.378 1.00 0.00 H new ATOM 0 HD2 HIS A 15 13.464 1.571 -11.969 1.00 0.00 H new ATOM 0 HE1 HIS A 15 13.757 2.396 -7.809 1.00 0.00 H new ATOM 0 HE2 HIS A 15 14.717 0.970 -9.718 1.00 0.00 H new ATOM 233 N SER A 16 8.589 4.873 -11.803 1.00 0.00 N ATOM 234 CA SER A 16 7.478 5.687 -12.274 1.00 0.00 C ATOM 235 C SER A 16 6.166 5.134 -11.734 1.00 0.00 C ATOM 236 O SER A 16 5.529 5.815 -10.941 1.00 0.00 O ATOM 237 CB SER A 16 7.444 5.882 -13.801 1.00 0.00 C ATOM 238 OG SER A 16 8.753 6.009 -14.316 1.00 0.00 O ATOM 0 H SER A 16 9.076 5.286 -11.008 1.00 0.00 H new ATOM 0 HA SER A 16 7.630 6.691 -11.878 1.00 0.00 H new ATOM 0 HB2 SER A 16 6.944 5.035 -14.270 1.00 0.00 H new ATOM 0 HB3 SER A 16 6.863 6.771 -14.047 1.00 0.00 H new ATOM 0 HG SER A 16 8.712 6.130 -15.288 1.00 0.00 H new ATOM 244 N CYS A 17 5.764 3.919 -12.120 1.00 0.00 N ATOM 245 CA CYS A 17 4.483 3.362 -11.691 1.00 0.00 C ATOM 246 C CYS A 17 4.442 3.259 -10.164 1.00 0.00 C ATOM 247 O CYS A 17 3.611 3.876 -9.494 1.00 0.00 O ATOM 248 CB CYS A 17 4.249 2.001 -12.359 1.00 0.00 C ATOM 249 SG CYS A 17 4.514 1.995 -14.150 1.00 0.00 S ATOM 0 H CYS A 17 6.308 3.306 -12.727 1.00 0.00 H new ATOM 0 HA CYS A 17 3.676 4.026 -12.002 1.00 0.00 H new ATOM 0 HB2 CYS A 17 4.913 1.267 -11.903 1.00 0.00 H new ATOM 0 HB3 CYS A 17 3.228 1.679 -12.153 1.00 0.00 H new ATOM 254 N THR A 18 5.399 2.503 -9.627 1.00 0.00 N ATOM 255 CA THR A 18 5.648 2.375 -8.204 1.00 0.00 C ATOM 256 C THR A 18 5.730 3.756 -7.554 1.00 0.00 C ATOM 257 O THR A 18 4.914 4.113 -6.704 1.00 0.00 O ATOM 258 CB THR A 18 6.973 1.626 -8.035 1.00 0.00 C ATOM 259 OG1 THR A 18 7.949 2.182 -8.906 1.00 0.00 O ATOM 260 CG2 THR A 18 6.815 0.141 -8.365 1.00 0.00 C ATOM 0 H THR A 18 6.039 1.948 -10.194 1.00 0.00 H new ATOM 0 HA THR A 18 4.837 1.830 -7.721 1.00 0.00 H new ATOM 0 HB THR A 18 7.285 1.726 -6.995 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.959 1.681 -9.748 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.772 -0.364 -8.236 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.077 -0.304 -7.697 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.483 0.031 -9.397 1.00 0.00 H new ATOM 268 N SER A 19 6.733 4.524 -7.982 1.00 0.00 N ATOM 269 CA SER A 19 7.077 5.818 -7.413 1.00 0.00 C ATOM 270 C SER A 19 5.863 6.754 -7.370 1.00 0.00 C ATOM 271 O SER A 19 5.660 7.453 -6.384 1.00 0.00 O ATOM 272 CB SER A 19 8.237 6.427 -8.211 1.00 0.00 C ATOM 273 OG SER A 19 8.715 7.602 -7.589 1.00 0.00 O ATOM 0 H SER A 19 7.341 4.252 -8.754 1.00 0.00 H new ATOM 0 HA SER A 19 7.395 5.680 -6.380 1.00 0.00 H new ATOM 0 HB2 SER A 19 9.046 5.701 -8.296 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.906 6.656 -9.224 1.00 0.00 H new ATOM 0 HG SER A 19 9.455 7.972 -8.114 1.00 0.00 H new ATOM 279 N THR A 20 5.033 6.763 -8.419 1.00 0.00 N ATOM 280 CA THR A 20 3.818 7.567 -8.451 1.00 0.00 C ATOM 281 C THR A 20 2.895 7.156 -7.308 1.00 0.00 C ATOM 282 O THR A 20 2.409 8.016 -6.575 1.00 0.00 O ATOM 283 CB THR A 20 3.119 7.452 -9.815 1.00 0.00 C ATOM 284 OG1 THR A 20 3.956 8.004 -10.807 1.00 0.00 O ATOM 285 CG2 THR A 20 1.796 8.221 -9.858 1.00 0.00 C ATOM 0 H THR A 20 5.189 6.213 -9.264 1.00 0.00 H new ATOM 0 HA THR A 20 4.083 8.616 -8.315 1.00 0.00 H new ATOM 0 HB THR A 20 2.918 6.394 -9.985 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.596 7.326 -11.109 1.00 0.00 H new ATOM 0 HG21 THR A 20 1.342 8.108 -10.842 1.00 0.00 H new ATOM 0 HG22 THR A 20 1.121 7.826 -9.099 1.00 0.00 H new ATOM 0 HG23 THR A 20 1.983 9.277 -9.663 1.00 0.00 H new ATOM 293 N ILE A 21 2.645 5.853 -7.146 1.00 0.00 N ATOM 294 CA ILE A 21 1.820 5.372 -6.046 1.00 0.00 C ATOM 295 C ILE A 21 2.444 5.788 -4.712 1.00 0.00 C ATOM 296 O ILE A 21 1.751 6.340 -3.858 1.00 0.00 O ATOM 297 CB ILE A 21 1.542 3.856 -6.195 1.00 0.00 C ATOM 298 CG1 ILE A 21 0.051 3.653 -6.464 1.00 0.00 C ATOM 299 CG2 ILE A 21 1.913 3.019 -4.971 1.00 0.00 C ATOM 300 CD1 ILE A 21 -0.302 2.277 -7.025 1.00 0.00 C ATOM 0 H ILE A 21 3.002 5.121 -7.761 1.00 0.00 H new ATOM 0 HA ILE A 21 0.835 5.839 -6.071 1.00 0.00 H new ATOM 0 HB ILE A 21 2.172 3.516 -7.017 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.499 3.806 -5.535 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.288 4.416 -7.164 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.685 1.971 -5.164 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.978 3.126 -4.766 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.341 3.362 -4.109 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.378 2.215 -7.187 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.217 2.126 -7.972 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.003 1.506 -6.317 1.00 0.00 H new ATOM 312 N GLU A 22 3.750 5.566 -4.556 1.00 0.00 N ATOM 313 CA GLU A 22 4.496 5.948 -3.367 1.00 0.00 C ATOM 314 C GLU A 22 4.260 7.425 -3.037 1.00 0.00 C ATOM 315 O GLU A 22 3.831 7.763 -1.935 1.00 0.00 O ATOM 316 CB GLU A 22 5.982 5.580 -3.541 1.00 0.00 C ATOM 317 CG GLU A 22 6.354 4.442 -2.581 1.00 0.00 C ATOM 318 CD GLU A 22 7.742 3.873 -2.846 1.00 0.00 C ATOM 319 OE1 GLU A 22 7.937 3.369 -3.973 1.00 0.00 O ATOM 320 OE2 GLU A 22 8.570 3.927 -1.911 1.00 0.00 O ATOM 0 H GLU A 22 4.323 5.109 -5.265 1.00 0.00 H new ATOM 0 HA GLU A 22 4.136 5.389 -2.503 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.172 5.276 -4.570 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.607 6.451 -3.345 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.307 4.808 -1.556 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.617 3.644 -2.669 1.00 0.00 H new ATOM 327 N GLY A 23 4.493 8.305 -4.009 1.00 0.00 N ATOM 328 CA GLY A 23 4.276 9.734 -3.885 1.00 0.00 C ATOM 329 C GLY A 23 2.834 10.057 -3.502 1.00 0.00 C ATOM 330 O GLY A 23 2.597 10.800 -2.552 1.00 0.00 O ATOM 0 H GLY A 23 4.847 8.031 -4.926 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.952 10.140 -3.132 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.519 10.222 -4.829 1.00 0.00 H new ATOM 334 N LYS A 24 1.861 9.521 -4.250 1.00 0.00 N ATOM 335 CA LYS A 24 0.457 9.832 -4.035 1.00 0.00 C ATOM 336 C LYS A 24 0.045 9.425 -2.622 1.00 0.00 C ATOM 337 O LYS A 24 -0.411 10.242 -1.824 1.00 0.00 O ATOM 338 CB LYS A 24 -0.420 9.149 -5.101 1.00 0.00 C ATOM 339 CG LYS A 24 -1.701 9.950 -5.378 1.00 0.00 C ATOM 340 CD LYS A 24 -1.468 10.932 -6.537 1.00 0.00 C ATOM 341 CE LYS A 24 -2.737 11.744 -6.838 1.00 0.00 C ATOM 342 NZ LYS A 24 -2.592 12.565 -8.059 1.00 0.00 N ATOM 0 H LYS A 24 2.031 8.866 -5.013 1.00 0.00 H new ATOM 0 HA LYS A 24 0.310 10.907 -4.134 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.148 9.040 -6.025 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.683 8.145 -4.768 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.518 9.271 -5.624 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.999 10.496 -4.483 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.651 11.608 -6.286 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.164 10.382 -7.428 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.582 11.066 -6.955 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.963 12.391 -5.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.470 13.097 -8.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.802 13.230 -7.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.402 11.946 -8.873 1.00 0.00 H new ATOM 356 N ILE A 25 0.218 8.140 -2.321 1.00 0.00 N ATOM 357 CA ILE A 25 -0.209 7.559 -1.062 1.00 0.00 C ATOM 358 C ILE A 25 0.613 8.150 0.091 1.00 0.00 C ATOM 359 O ILE A 25 0.109 8.310 1.201 1.00 0.00 O ATOM 360 CB ILE A 25 -0.170 6.023 -1.126 1.00 0.00 C ATOM 361 CG1 ILE A 25 -0.979 5.435 -2.289 1.00 0.00 C ATOM 362 CG2 ILE A 25 -0.565 5.385 0.215 1.00 0.00 C ATOM 363 CD1 ILE A 25 -2.474 5.632 -2.119 1.00 0.00 C ATOM 0 H ILE A 25 0.662 7.473 -2.952 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.250 7.818 -0.870 1.00 0.00 H new ATOM 0 HB ILE A 25 0.870 5.766 -1.326 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.659 5.900 -3.221 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.764 4.370 -2.374 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.525 4.299 0.127 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.127 5.712 0.991 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.578 5.690 0.479 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.997 5.197 -2.970 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.803 5.143 -1.202 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.696 6.698 -2.062 1.00 0.00 H new ATOM 375 N GLY A 26 1.858 8.547 -0.179 1.00 0.00 N ATOM 376 CA GLY A 26 2.681 9.307 0.746 1.00 0.00 C ATOM 377 C GLY A 26 1.951 10.503 1.361 1.00 0.00 C ATOM 378 O GLY A 26 2.248 10.878 2.492 1.00 0.00 O ATOM 0 H GLY A 26 2.325 8.343 -1.063 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.022 8.648 1.545 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.570 9.661 0.224 1.00 0.00 H new ATOM 382 N LYS A 27 1.004 11.116 0.637 1.00 0.00 N ATOM 383 CA LYS A 27 0.274 12.278 1.100 1.00 0.00 C ATOM 384 C LYS A 27 -1.013 11.897 1.865 1.00 0.00 C ATOM 385 O LYS A 27 -1.787 12.783 2.223 1.00 0.00 O ATOM 386 CB LYS A 27 0.063 13.182 -0.127 1.00 0.00 C ATOM 387 CG LYS A 27 -0.718 14.454 0.199 1.00 0.00 C ATOM 388 CD LYS A 27 -0.382 15.641 -0.718 1.00 0.00 C ATOM 389 CE LYS A 27 0.941 16.301 -0.293 1.00 0.00 C ATOM 390 NZ LYS A 27 1.211 17.550 -1.034 1.00 0.00 N ATOM 0 H LYS A 27 0.729 10.806 -0.295 1.00 0.00 H new ATOM 0 HA LYS A 27 0.836 12.834 1.850 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.033 13.454 -0.543 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.468 12.623 -0.897 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.785 14.242 0.127 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.518 14.737 1.232 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.308 15.299 -1.750 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.188 16.374 -0.682 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.910 16.515 0.775 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.761 15.601 -0.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.113 17.957 -0.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.268 17.344 -2.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.443 18.230 -0.860 1.00 0.00 H new ATOM 404 N LEU A 28 -1.267 10.615 2.154 1.00 0.00 N ATOM 405 CA LEU A 28 -2.414 10.234 2.964 1.00 0.00 C ATOM 406 C LEU A 28 -2.245 10.648 4.426 1.00 0.00 C ATOM 407 O LEU A 28 -1.139 10.702 4.960 1.00 0.00 O ATOM 408 CB LEU A 28 -2.646 8.730 2.906 1.00 0.00 C ATOM 409 CG LEU A 28 -3.134 8.187 1.553 1.00 0.00 C ATOM 410 CD1 LEU A 28 -4.006 6.969 1.842 1.00 0.00 C ATOM 411 CD2 LEU A 28 -3.936 9.167 0.685 1.00 0.00 C ATOM 0 H LEU A 28 -0.693 9.833 1.838 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.274 10.758 2.548 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.715 8.226 3.165 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.376 8.463 3.670 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.239 7.964 0.972 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.373 6.553 0.904 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.417 6.216 2.367 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.851 7.266 2.463 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.227 8.676 -0.244 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.829 9.483 1.224 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.322 10.038 0.458 1.00 0.00 H new ATOM 423 N GLN A 29 -3.382 10.875 5.085 1.00 0.00 N ATOM 424 CA GLN A 29 -3.478 11.209 6.497 1.00 0.00 C ATOM 425 C GLN A 29 -3.760 9.939 7.307 1.00 0.00 C ATOM 426 O GLN A 29 -4.910 9.615 7.589 1.00 0.00 O ATOM 427 CB GLN A 29 -4.515 12.326 6.678 1.00 0.00 C ATOM 428 CG GLN A 29 -5.942 11.901 6.298 1.00 0.00 C ATOM 429 CD GLN A 29 -6.716 13.012 5.595 1.00 0.00 C ATOM 430 OE1 GLN A 29 -6.710 14.158 6.030 1.00 0.00 O ATOM 431 NE2 GLN A 29 -7.381 12.689 4.488 1.00 0.00 N ATOM 0 H GLN A 29 -4.293 10.828 4.628 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.537 11.601 6.882 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.506 12.655 7.717 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.225 13.183 6.070 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -5.896 11.027 5.648 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.480 11.601 7.197 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -7.369 11.727 4.148 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -7.902 13.403 3.980 1.00 0.00 H new ATOM 440 N GLY A 30 -2.711 9.194 7.663 1.00 0.00 N ATOM 441 CA GLY A 30 -2.872 7.919 8.361 1.00 0.00 C ATOM 442 C GLY A 30 -1.803 6.871 8.065 1.00 0.00 C ATOM 443 O GLY A 30 -1.830 5.797 8.671 1.00 0.00 O ATOM 0 H GLY A 30 -1.742 9.453 7.479 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.882 8.110 9.434 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.846 7.503 8.102 1.00 0.00 H new ATOM 447 N VAL A 31 -0.886 7.159 7.138 1.00 0.00 N ATOM 448 CA VAL A 31 0.199 6.271 6.765 1.00 0.00 C ATOM 449 C VAL A 31 1.502 6.814 7.343 1.00 0.00 C ATOM 450 O VAL A 31 1.759 8.011 7.236 1.00 0.00 O ATOM 451 CB VAL A 31 0.239 6.176 5.226 1.00 0.00 C ATOM 452 CG1 VAL A 31 1.466 5.420 4.705 1.00 0.00 C ATOM 453 CG2 VAL A 31 -1.023 5.479 4.697 1.00 0.00 C ATOM 0 H VAL A 31 -0.884 8.037 6.619 1.00 0.00 H new ATOM 0 HA VAL A 31 0.053 5.268 7.165 1.00 0.00 H new ATOM 0 HB VAL A 31 0.294 7.202 4.863 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.437 5.387 3.616 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.373 5.931 5.029 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.462 4.404 5.099 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.978 5.421 3.609 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.084 4.473 5.112 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.904 6.048 4.993 1.00 0.00 H new ATOM 463 N GLN A 32 2.322 5.943 7.947 1.00 0.00 N ATOM 464 CA GLN A 32 3.632 6.333 8.454 1.00 0.00 C ATOM 465 C GLN A 32 4.729 6.052 7.431 1.00 0.00 C ATOM 466 O GLN A 32 5.729 6.762 7.375 1.00 0.00 O ATOM 467 CB GLN A 32 3.941 5.656 9.791 1.00 0.00 C ATOM 468 CG GLN A 32 4.049 4.127 9.748 1.00 0.00 C ATOM 469 CD GLN A 32 5.288 3.585 10.464 1.00 0.00 C ATOM 470 OE1 GLN A 32 5.841 4.196 11.371 1.00 0.00 O ATOM 471 NE2 GLN A 32 5.758 2.411 10.055 1.00 0.00 N ATOM 0 H GLN A 32 2.094 4.960 8.094 1.00 0.00 H new ATOM 0 HA GLN A 32 3.605 7.409 8.628 1.00 0.00 H new ATOM 0 HB2 GLN A 32 4.879 6.058 10.174 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.163 5.928 10.504 1.00 0.00 H new ATOM 0 HG2 GLN A 32 3.158 3.694 10.202 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.067 3.801 8.708 1.00 0.00 H new ATOM 0 HE21 GLN A 32 5.291 1.910 9.299 1.00 0.00 H new ATOM 0 HE22 GLN A 32 6.586 2.011 10.497 1.00 0.00 H new ATOM 480 N ARG A 33 4.575 4.976 6.655 1.00 0.00 N ATOM 481 CA ARG A 33 5.567 4.549 5.695 1.00 0.00 C ATOM 482 C ARG A 33 4.867 3.663 4.680 1.00 0.00 C ATOM 483 O ARG A 33 3.733 3.228 4.875 1.00 0.00 O ATOM 484 CB ARG A 33 6.740 3.823 6.386 1.00 0.00 C ATOM 485 CG ARG A 33 8.075 4.227 5.736 1.00 0.00 C ATOM 486 CD ARG A 33 9.185 3.173 5.873 1.00 0.00 C ATOM 487 NE ARG A 33 10.020 3.356 7.074 1.00 0.00 N ATOM 488 CZ ARG A 33 9.859 2.734 8.252 1.00 0.00 C ATOM 489 NH1 ARG A 33 8.722 2.084 8.512 1.00 0.00 N ATOM 490 NH2 ARG A 33 10.844 2.754 9.157 1.00 0.00 N ATOM 0 H ARG A 33 3.748 4.380 6.684 1.00 0.00 H new ATOM 0 HA ARG A 33 6.007 5.410 5.191 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.755 4.070 7.447 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.603 2.744 6.312 1.00 0.00 H new ATOM 0 HG2 ARG A 33 7.906 4.425 4.678 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.417 5.160 6.184 1.00 0.00 H new ATOM 0 HD2 ARG A 33 8.733 2.182 5.901 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.821 3.208 4.988 1.00 0.00 H new ATOM 0 HE ARG A 33 10.793 4.018 7.003 1.00 0.00 H new ATOM 0 HH11 ARG A 33 7.977 2.061 7.816 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.598 1.611 9.407 1.00 0.00 H new ATOM 0 HH21 ARG A 33 11.716 3.242 8.951 1.00 0.00 H new ATOM 0 HH22 ARG A 33 10.723 2.282 10.053 1.00 0.00 H new ATOM 504 N ILE A 34 5.554 3.423 3.579 1.00 0.00 N ATOM 505 CA ILE A 34 5.059 2.764 2.412 1.00 0.00 C ATOM 506 C ILE A 34 6.326 2.238 1.744 1.00 0.00 C ATOM 507 O ILE A 34 7.389 2.846 1.889 1.00 0.00 O ATOM 508 CB ILE A 34 4.255 3.784 1.585 1.00 0.00 C ATOM 509 CG1 ILE A 34 3.788 3.112 0.295 1.00 0.00 C ATOM 510 CG2 ILE A 34 5.044 5.078 1.302 1.00 0.00 C ATOM 511 CD1 ILE A 34 2.692 3.906 -0.419 1.00 0.00 C ATOM 0 H ILE A 34 6.530 3.705 3.482 1.00 0.00 H new ATOM 0 HA ILE A 34 4.366 1.939 2.579 1.00 0.00 H new ATOM 0 HB ILE A 34 3.389 4.097 2.169 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.639 2.990 -0.375 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.417 2.113 0.524 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.427 5.759 0.716 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.314 5.553 2.245 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.949 4.838 0.745 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.398 3.383 -1.329 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.828 4.005 0.238 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.068 4.896 -0.675 1.00 0.00 H new ATOM 523 N LYS A 35 6.235 1.077 1.110 1.00 0.00 N ATOM 524 CA LYS A 35 7.298 0.471 0.334 1.00 0.00 C ATOM 525 C LYS A 35 6.707 -0.212 -0.899 1.00 0.00 C ATOM 526 O LYS A 35 5.557 -0.636 -0.856 1.00 0.00 O ATOM 527 CB LYS A 35 8.155 -0.458 1.210 1.00 0.00 C ATOM 528 CG LYS A 35 9.366 0.196 1.882 1.00 0.00 C ATOM 529 CD LYS A 35 10.405 0.628 0.839 1.00 0.00 C ATOM 530 CE LYS A 35 11.739 1.051 1.470 1.00 0.00 C ATOM 531 NZ LYS A 35 12.494 -0.098 2.015 1.00 0.00 N ATOM 0 H LYS A 35 5.385 0.513 1.125 1.00 0.00 H new ATOM 0 HA LYS A 35 7.981 1.239 -0.028 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.519 -0.885 1.985 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.507 -1.286 0.594 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.043 1.062 2.459 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.819 -0.504 2.584 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.581 -0.194 0.145 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.005 1.457 0.256 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.347 1.560 0.722 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.549 1.769 2.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.423 0.226 2.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.964 -0.518 2.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.627 -0.811 1.270 1.00 0.00 H new ATOM 545 N VAL A 36 7.451 -0.307 -2.006 1.00 0.00 N ATOM 546 CA VAL A 36 6.966 -0.964 -3.214 1.00 0.00 C ATOM 547 C VAL A 36 8.090 -1.778 -3.860 1.00 0.00 C ATOM 548 O VAL A 36 9.011 -1.222 -4.452 1.00 0.00 O ATOM 549 CB VAL A 36 6.307 0.042 -4.180 1.00 0.00 C ATOM 550 CG1 VAL A 36 5.654 -0.734 -5.328 1.00 0.00 C ATOM 551 CG2 VAL A 36 5.193 0.857 -3.508 1.00 0.00 C ATOM 0 H VAL A 36 8.397 0.067 -2.085 1.00 0.00 H new ATOM 0 HA VAL A 36 6.178 -1.667 -2.943 1.00 0.00 H new ATOM 0 HB VAL A 36 7.090 0.720 -4.520 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.184 -0.034 -6.019 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.414 -1.310 -5.856 1.00 0.00 H new ATOM 0 HG13 VAL A 36 4.899 -1.410 -4.927 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.762 1.550 -4.231 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.417 0.183 -3.145 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.607 1.418 -2.670 1.00 0.00 H new ATOM 561 N SER A 37 8.005 -3.105 -3.741 1.00 0.00 N ATOM 562 CA SER A 37 8.952 -4.056 -4.296 1.00 0.00 C ATOM 563 C SER A 37 8.445 -4.534 -5.656 1.00 0.00 C ATOM 564 O SER A 37 7.858 -5.614 -5.765 1.00 0.00 O ATOM 565 CB SER A 37 9.138 -5.216 -3.323 1.00 0.00 C ATOM 566 OG SER A 37 9.483 -4.739 -2.034 1.00 0.00 O ATOM 0 H SER A 37 7.243 -3.557 -3.235 1.00 0.00 H new ATOM 0 HA SER A 37 9.924 -3.584 -4.443 1.00 0.00 H new ATOM 0 HB2 SER A 37 8.219 -5.800 -3.266 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.918 -5.883 -3.690 1.00 0.00 H new ATOM 0 HG SER A 37 9.596 -5.498 -1.424 1.00 0.00 H new ATOM 572 N LEU A 38 8.676 -3.722 -6.692 1.00 0.00 N ATOM 573 CA LEU A 38 8.384 -4.078 -8.078 1.00 0.00 C ATOM 574 C LEU A 38 8.910 -5.461 -8.445 1.00 0.00 C ATOM 575 O LEU A 38 8.232 -6.231 -9.122 1.00 0.00 O ATOM 576 CB LEU A 38 8.895 -3.014 -9.040 1.00 0.00 C ATOM 577 CG LEU A 38 10.386 -2.683 -8.921 1.00 0.00 C ATOM 578 CD1 LEU A 38 11.121 -3.322 -10.098 1.00 0.00 C ATOM 579 CD2 LEU A 38 10.538 -1.163 -8.939 1.00 0.00 C ATOM 0 H LEU A 38 9.075 -2.789 -6.587 1.00 0.00 H new ATOM 0 HA LEU A 38 7.299 -4.122 -8.172 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.693 -3.343 -10.059 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.323 -2.100 -8.881 1.00 0.00 H new ATOM 0 HG LEU A 38 10.809 -3.072 -7.995 1.00 0.00 H new ATOM 0 HD11 LEU A 38 12.185 -3.096 -10.029 1.00 0.00 H new ATOM 0 HD12 LEU A 38 10.977 -4.402 -10.074 1.00 0.00 H new ATOM 0 HD13 LEU A 38 10.726 -2.924 -11.033 1.00 0.00 H new ATOM 0 HD21 LEU A 38 11.593 -0.902 -8.855 1.00 0.00 H new ATOM 0 HD22 LEU A 38 10.140 -0.769 -9.874 1.00 0.00 H new ATOM 0 HD23 LEU A 38 9.990 -0.733 -8.101 1.00 0.00 H new ATOM 591 N ASP A 39 10.117 -5.768 -7.973 1.00 0.00 N ATOM 592 CA ASP A 39 10.850 -6.997 -8.230 1.00 0.00 C ATOM 593 C ASP A 39 9.944 -8.202 -8.080 1.00 0.00 C ATOM 594 O ASP A 39 9.812 -9.020 -8.986 1.00 0.00 O ATOM 595 CB ASP A 39 11.996 -7.164 -7.218 1.00 0.00 C ATOM 596 CG ASP A 39 12.798 -5.890 -6.979 1.00 0.00 C ATOM 597 OD1 ASP A 39 12.155 -4.908 -6.537 1.00 0.00 O ATOM 598 OD2 ASP A 39 14.019 -5.923 -7.233 1.00 0.00 O ATOM 0 H ASP A 39 10.634 -5.129 -7.369 1.00 0.00 H new ATOM 0 HA ASP A 39 11.239 -6.933 -9.246 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.583 -7.505 -6.269 1.00 0.00 H new ATOM 0 HB3 ASP A 39 12.669 -7.945 -7.572 1.00 0.00 H new ATOM 603 N ASN A 40 9.340 -8.296 -6.892 1.00 0.00 N ATOM 604 CA ASN A 40 8.495 -9.413 -6.523 1.00 0.00 C ATOM 605 C ASN A 40 7.019 -9.027 -6.680 1.00 0.00 C ATOM 606 O ASN A 40 6.157 -9.593 -6.011 1.00 0.00 O ATOM 607 CB ASN A 40 8.832 -9.887 -5.111 1.00 0.00 C ATOM 608 CG ASN A 40 8.280 -11.284 -4.827 1.00 0.00 C ATOM 609 OD1 ASN A 40 8.450 -12.202 -5.622 1.00 0.00 O ATOM 610 ND2 ASN A 40 7.648 -11.485 -3.674 1.00 0.00 N ATOM 0 H ASN A 40 9.430 -7.590 -6.161 1.00 0.00 H new ATOM 0 HA ASN A 40 8.682 -10.253 -7.192 1.00 0.00 H new ATOM 0 HB2 ASN A 40 9.914 -9.891 -4.979 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.425 -9.182 -4.386 1.00 0.00 H new ATOM 0 HD21 ASN A 40 7.297 -12.414 -3.440 1.00 0.00 H new ATOM 0 HD22 ASN A 40 7.515 -10.711 -3.024 1.00 0.00 H new ATOM 617 N GLN A 41 6.756 -8.019 -7.523 1.00 0.00 N ATOM 618 CA GLN A 41 5.482 -7.361 -7.763 1.00 0.00 C ATOM 619 C GLN A 41 4.601 -7.265 -6.506 1.00 0.00 C ATOM 620 O GLN A 41 3.459 -7.728 -6.468 1.00 0.00 O ATOM 621 CB GLN A 41 4.812 -7.985 -9.003 1.00 0.00 C ATOM 622 CG GLN A 41 4.680 -6.977 -10.150 1.00 0.00 C ATOM 623 CD GLN A 41 4.085 -7.635 -11.392 1.00 0.00 C ATOM 624 OE1 GLN A 41 3.339 -8.602 -11.308 1.00 0.00 O ATOM 625 NE2 GLN A 41 4.410 -7.147 -12.583 1.00 0.00 N ATOM 0 H GLN A 41 7.496 -7.616 -8.098 1.00 0.00 H new ATOM 0 HA GLN A 41 5.655 -6.311 -7.998 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.396 -8.842 -9.338 1.00 0.00 H new ATOM 0 HB3 GLN A 41 3.824 -8.358 -8.733 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.049 -6.145 -9.837 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.659 -6.562 -10.388 1.00 0.00 H new ATOM 0 HE21 GLN A 41 5.032 -6.341 -12.652 1.00 0.00 H new ATOM 0 HE22 GLN A 41 4.038 -7.578 -13.429 1.00 0.00 H new ATOM 634 N GLU A 42 5.142 -6.632 -5.461 1.00 0.00 N ATOM 635 CA GLU A 42 4.477 -6.539 -4.167 1.00 0.00 C ATOM 636 C GLU A 42 4.628 -5.141 -3.574 1.00 0.00 C ATOM 637 O GLU A 42 5.729 -4.601 -3.507 1.00 0.00 O ATOM 638 CB GLU A 42 5.010 -7.632 -3.234 1.00 0.00 C ATOM 639 CG GLU A 42 4.212 -7.699 -1.927 1.00 0.00 C ATOM 640 CD GLU A 42 4.593 -8.912 -1.099 1.00 0.00 C ATOM 641 OE1 GLU A 42 5.710 -8.911 -0.539 1.00 0.00 O ATOM 642 OE2 GLU A 42 3.735 -9.810 -0.970 1.00 0.00 O ATOM 0 H GLU A 42 6.052 -6.172 -5.492 1.00 0.00 H new ATOM 0 HA GLU A 42 3.407 -6.704 -4.297 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.963 -8.597 -3.739 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.059 -7.440 -3.010 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.387 -6.793 -1.347 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.146 -7.732 -2.153 1.00 0.00 H new ATOM 649 N ALA A 43 3.510 -4.572 -3.124 1.00 0.00 N ATOM 650 CA ALA A 43 3.428 -3.285 -2.458 1.00 0.00 C ATOM 651 C ALA A 43 3.200 -3.485 -0.955 1.00 0.00 C ATOM 652 O ALA A 43 2.582 -4.459 -0.520 1.00 0.00 O ATOM 653 CB ALA A 43 2.356 -2.418 -3.126 1.00 0.00 C ATOM 0 H ALA A 43 2.599 -5.021 -3.221 1.00 0.00 H new ATOM 0 HA ALA A 43 4.371 -2.748 -2.560 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.301 -1.454 -2.620 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.614 -2.264 -4.174 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.390 -2.918 -3.060 1.00 0.00 H new ATOM 659 N THR A 44 3.755 -2.562 -0.171 1.00 0.00 N ATOM 660 CA THR A 44 3.806 -2.526 1.276 1.00 0.00 C ATOM 661 C THR A 44 3.205 -1.197 1.709 1.00 0.00 C ATOM 662 O THR A 44 3.737 -0.156 1.340 1.00 0.00 O ATOM 663 CB THR A 44 5.282 -2.567 1.700 1.00 0.00 C ATOM 664 OG1 THR A 44 5.857 -3.773 1.240 1.00 0.00 O ATOM 665 CG2 THR A 44 5.415 -2.504 3.225 1.00 0.00 C ATOM 0 H THR A 44 4.220 -1.750 -0.577 1.00 0.00 H new ATOM 0 HA THR A 44 3.267 -3.362 1.722 1.00 0.00 H new ATOM 0 HB THR A 44 5.794 -1.707 1.269 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.800 -3.808 1.504 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.469 -2.535 3.500 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.971 -1.578 3.591 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.899 -3.354 3.671 1.00 0.00 H new ATOM 673 N ILE A 45 2.132 -1.204 2.494 1.00 0.00 N ATOM 674 CA ILE A 45 1.527 0.027 2.989 1.00 0.00 C ATOM 675 C ILE A 45 1.567 -0.058 4.509 1.00 0.00 C ATOM 676 O ILE A 45 1.110 -1.067 5.049 1.00 0.00 O ATOM 677 CB ILE A 45 0.094 0.151 2.449 1.00 0.00 C ATOM 678 CG1 ILE A 45 0.027 0.062 0.909 1.00 0.00 C ATOM 679 CG2 ILE A 45 -0.549 1.451 2.956 1.00 0.00 C ATOM 680 CD1 ILE A 45 0.408 1.357 0.200 1.00 0.00 C ATOM 0 H ILE A 45 1.661 -2.055 2.802 1.00 0.00 H new ATOM 0 HA ILE A 45 2.061 0.917 2.655 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.472 -0.700 2.829 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.690 -0.735 0.571 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.984 -0.219 0.614 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.565 1.530 2.568 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.577 1.442 4.046 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.037 2.304 2.615 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.337 1.216 -0.878 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.270 2.153 0.507 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.430 1.629 0.464 1.00 0.00 H new ATOM 692 N VAL A 46 2.156 0.940 5.187 1.00 0.00 N ATOM 693 CA VAL A 46 2.293 0.895 6.643 1.00 0.00 C ATOM 694 C VAL A 46 1.452 1.992 7.292 1.00 0.00 C ATOM 695 O VAL A 46 1.879 3.151 7.363 1.00 0.00 O ATOM 696 CB VAL A 46 3.767 0.918 7.080 1.00 0.00 C ATOM 697 CG1 VAL A 46 3.867 0.268 8.466 1.00 0.00 C ATOM 698 CG2 VAL A 46 4.644 0.138 6.096 1.00 0.00 C ATOM 0 H VAL A 46 2.540 1.778 4.751 1.00 0.00 H new ATOM 0 HA VAL A 46 1.901 -0.058 6.999 1.00 0.00 H new ATOM 0 HB VAL A 46 4.116 1.950 7.105 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.906 0.273 8.796 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.258 0.828 9.175 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.509 -0.760 8.412 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.681 0.170 6.429 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.309 -0.898 6.053 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.567 0.586 5.105 1.00 0.00 H new ATOM 708 N TYR A 47 0.249 1.617 7.743 1.00 0.00 N ATOM 709 CA TYR A 47 -0.763 2.558 8.200 1.00 0.00 C ATOM 710 C TYR A 47 -1.120 2.369 9.665 1.00 0.00 C ATOM 711 O TYR A 47 -0.733 1.378 10.289 1.00 0.00 O ATOM 712 CB TYR A 47 -1.997 2.521 7.289 1.00 0.00 C ATOM 713 CG TYR A 47 -3.024 1.459 7.634 1.00 0.00 C ATOM 714 CD1 TYR A 47 -2.880 0.149 7.148 1.00 0.00 C ATOM 715 CD2 TYR A 47 -4.154 1.795 8.406 1.00 0.00 C ATOM 716 CE1 TYR A 47 -3.894 -0.796 7.378 1.00 0.00 C ATOM 717 CE2 TYR A 47 -5.130 0.827 8.686 1.00 0.00 C ATOM 718 CZ TYR A 47 -4.998 -0.470 8.179 1.00 0.00 C ATOM 719 OH TYR A 47 -5.953 -1.403 8.454 1.00 0.00 O ATOM 0 H TYR A 47 -0.045 0.642 7.799 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.331 3.556 8.129 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.482 3.497 7.322 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.666 2.364 6.262 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.993 -0.131 6.599 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -4.269 2.800 8.783 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -3.823 -1.779 6.936 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.985 1.084 9.294 1.00 0.00 H new ATOM 0 HH TYR A 47 -6.644 -1.005 9.023 1.00 0.00 H new ATOM 729 N GLN A 48 -1.866 3.344 10.191 1.00 0.00 N ATOM 730 CA GLN A 48 -2.267 3.391 11.581 1.00 0.00 C ATOM 731 C GLN A 48 -3.762 3.058 11.714 1.00 0.00 C ATOM 732 O GLN A 48 -4.595 3.831 11.227 1.00 0.00 O ATOM 733 CB GLN A 48 -1.931 4.781 12.129 1.00 0.00 C ATOM 734 CG GLN A 48 -1.857 4.655 13.660 1.00 0.00 C ATOM 735 CD GLN A 48 -1.378 5.913 14.370 1.00 0.00 C ATOM 736 OE1 GLN A 48 -1.919 6.994 14.161 1.00 0.00 O ATOM 737 NE2 GLN A 48 -0.404 5.774 15.269 1.00 0.00 N ATOM 0 H GLN A 48 -2.210 4.133 9.644 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.728 2.645 12.165 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.983 5.136 11.725 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.692 5.505 11.838 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.844 4.392 14.039 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -1.188 3.832 13.913 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.025 4.861 15.419 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -0.088 6.581 15.807 1.00 0.00 H new ATOM 746 N PRO A 49 -4.133 1.930 12.353 1.00 0.00 N ATOM 747 CA PRO A 49 -5.510 1.456 12.416 1.00 0.00 C ATOM 748 C PRO A 49 -6.360 2.319 13.352 1.00 0.00 C ATOM 749 O PRO A 49 -6.672 1.926 14.474 1.00 0.00 O ATOM 750 CB PRO A 49 -5.423 -0.009 12.855 1.00 0.00 C ATOM 751 CG PRO A 49 -4.159 -0.028 13.708 1.00 0.00 C ATOM 752 CD PRO A 49 -3.246 0.950 12.968 1.00 0.00 C ATOM 0 HA PRO A 49 -6.013 1.532 11.452 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.301 -0.314 13.425 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.346 -0.684 12.002 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.355 0.294 14.731 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.723 -1.025 13.766 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.548 1.430 13.654 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.649 0.435 12.215 1.00 0.00 H new ATOM 760 N HIS A 50 -6.741 3.492 12.848 1.00 0.00 N ATOM 761 CA HIS A 50 -7.656 4.460 13.439 1.00 0.00 C ATOM 762 C HIS A 50 -7.832 5.616 12.455 1.00 0.00 C ATOM 763 O HIS A 50 -8.945 6.090 12.251 1.00 0.00 O ATOM 764 CB HIS A 50 -7.147 4.989 14.793 1.00 0.00 C ATOM 765 CG HIS A 50 -7.689 4.254 15.995 1.00 0.00 C ATOM 766 ND1 HIS A 50 -6.946 3.623 16.966 1.00 0.00 N ATOM 767 CD2 HIS A 50 -9.008 4.144 16.350 1.00 0.00 C ATOM 768 CE1 HIS A 50 -7.803 3.139 17.882 1.00 0.00 C ATOM 769 NE2 HIS A 50 -9.071 3.436 17.554 1.00 0.00 N ATOM 0 H HIS A 50 -6.389 3.812 11.946 1.00 0.00 H new ATOM 0 HA HIS A 50 -8.609 3.968 13.632 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -6.059 4.929 14.806 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -7.409 6.043 14.879 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -9.850 4.535 15.798 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -7.511 2.586 18.763 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -9.912 3.194 18.078 1.00 0.00 H new ATOM 777 N LEU A 51 -6.729 6.081 11.859 1.00 0.00 N ATOM 778 CA LEU A 51 -6.758 7.250 10.991 1.00 0.00 C ATOM 779 C LEU A 51 -7.372 6.917 9.632 1.00 0.00 C ATOM 780 O LEU A 51 -8.215 7.660 9.137 1.00 0.00 O ATOM 781 CB LEU A 51 -5.363 7.849 10.839 1.00 0.00 C ATOM 782 CG LEU A 51 -4.791 8.367 12.173 1.00 0.00 C ATOM 783 CD1 LEU A 51 -3.325 8.777 11.995 1.00 0.00 C ATOM 784 CD2 LEU A 51 -5.560 9.578 12.720 1.00 0.00 C ATOM 0 H LEU A 51 -5.806 5.661 11.966 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.394 8.000 11.461 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.691 7.095 10.428 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.400 8.669 10.121 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.887 7.547 12.885 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.931 9.141 12.944 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.743 7.915 11.668 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.256 9.566 11.247 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.112 9.899 13.661 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.514 10.394 11.999 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.601 9.302 12.889 1.00 0.00 H new ATOM 796 N ILE A 52 -6.927 5.816 9.022 1.00 0.00 N ATOM 797 CA ILE A 52 -7.313 5.379 7.697 1.00 0.00 C ATOM 798 C ILE A 52 -7.494 3.855 7.741 1.00 0.00 C ATOM 799 O ILE A 52 -7.254 3.253 8.788 1.00 0.00 O ATOM 800 CB ILE A 52 -6.232 5.881 6.714 1.00 0.00 C ATOM 801 CG1 ILE A 52 -6.895 6.449 5.467 1.00 0.00 C ATOM 802 CG2 ILE A 52 -5.188 4.831 6.317 1.00 0.00 C ATOM 803 CD1 ILE A 52 -7.266 7.924 5.641 1.00 0.00 C ATOM 0 H ILE A 52 -6.260 5.184 9.465 1.00 0.00 H new ATOM 0 HA ILE A 52 -8.263 5.788 7.353 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.681 6.654 7.250 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -6.222 6.342 4.617 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -7.792 5.873 5.238 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.471 5.274 5.626 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.665 4.483 7.208 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.684 3.989 5.835 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.736 8.291 4.729 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -7.960 8.029 6.475 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.366 8.504 5.844 1.00 0.00 H new ATOM 815 N SER A 53 -7.927 3.223 6.643 1.00 0.00 N ATOM 816 CA SER A 53 -8.206 1.791 6.597 1.00 0.00 C ATOM 817 C SER A 53 -7.799 1.193 5.248 1.00 0.00 C ATOM 818 O SER A 53 -7.586 1.918 4.272 1.00 0.00 O ATOM 819 CB SER A 53 -9.698 1.569 6.863 1.00 0.00 C ATOM 820 OG SER A 53 -10.454 2.135 5.809 1.00 0.00 O ATOM 0 H SER A 53 -8.093 3.699 5.757 1.00 0.00 H new ATOM 0 HA SER A 53 -7.619 1.286 7.364 1.00 0.00 H new ATOM 0 HB2 SER A 53 -9.909 0.503 6.945 1.00 0.00 H new ATOM 0 HB3 SER A 53 -9.981 2.023 7.813 1.00 0.00 H new ATOM 0 HG SER A 53 -11.409 1.992 5.978 1.00 0.00 H new ATOM 826 N VAL A 54 -7.734 -0.143 5.187 1.00 0.00 N ATOM 827 CA VAL A 54 -7.412 -0.867 3.962 1.00 0.00 C ATOM 828 C VAL A 54 -8.336 -0.480 2.811 1.00 0.00 C ATOM 829 O VAL A 54 -7.907 -0.476 1.662 1.00 0.00 O ATOM 830 CB VAL A 54 -7.411 -2.389 4.168 1.00 0.00 C ATOM 831 CG1 VAL A 54 -7.088 -3.085 2.841 1.00 0.00 C ATOM 832 CG2 VAL A 54 -6.338 -2.815 5.170 1.00 0.00 C ATOM 0 H VAL A 54 -7.904 -0.749 5.990 1.00 0.00 H new ATOM 0 HA VAL A 54 -6.398 -0.571 3.693 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.397 -2.668 4.540 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.087 -4.165 2.987 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.841 -2.820 2.098 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.106 -2.766 2.492 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.364 -3.898 5.293 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.357 -2.515 4.802 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.527 -2.336 6.131 1.00 0.00 H new ATOM 842 N GLU A 55 -9.604 -0.182 3.088 1.00 0.00 N ATOM 843 CA GLU A 55 -10.512 0.200 2.023 1.00 0.00 C ATOM 844 C GLU A 55 -10.014 1.484 1.358 1.00 0.00 C ATOM 845 O GLU A 55 -9.959 1.530 0.142 1.00 0.00 O ATOM 846 CB GLU A 55 -11.943 0.282 2.550 1.00 0.00 C ATOM 847 CG GLU A 55 -13.023 0.264 1.457 1.00 0.00 C ATOM 848 CD GLU A 55 -13.114 1.548 0.636 1.00 0.00 C ATOM 849 OE1 GLU A 55 -12.851 2.618 1.223 1.00 0.00 O ATOM 850 OE2 GLU A 55 -13.470 1.435 -0.556 1.00 0.00 O ATOM 0 H GLU A 55 -10.014 -0.198 4.022 1.00 0.00 H new ATOM 0 HA GLU A 55 -10.530 -0.562 1.244 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -12.116 -0.553 3.229 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -12.050 1.195 3.135 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -12.826 -0.570 0.783 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -13.990 0.076 1.923 1.00 0.00 H new ATOM 857 N GLU A 56 -9.552 2.477 2.123 1.00 0.00 N ATOM 858 CA GLU A 56 -9.031 3.720 1.602 1.00 0.00 C ATOM 859 C GLU A 56 -7.815 3.382 0.751 1.00 0.00 C ATOM 860 O GLU A 56 -7.767 3.721 -0.426 1.00 0.00 O ATOM 861 CB GLU A 56 -8.689 4.659 2.773 1.00 0.00 C ATOM 862 CG GLU A 56 -9.084 6.106 2.458 1.00 0.00 C ATOM 863 CD GLU A 56 -8.283 6.695 1.306 1.00 0.00 C ATOM 864 OE1 GLU A 56 -7.055 6.468 1.300 1.00 0.00 O ATOM 865 OE2 GLU A 56 -8.905 7.361 0.449 1.00 0.00 O ATOM 0 H GLU A 56 -9.534 2.427 3.142 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.760 4.241 0.982 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.207 4.326 3.673 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.621 4.609 2.983 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.146 6.144 2.214 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.939 6.720 3.347 1.00 0.00 H new ATOM 872 N MET A 57 -6.867 2.634 1.324 1.00 0.00 N ATOM 873 CA MET A 57 -5.696 2.165 0.619 1.00 0.00 C ATOM 874 C MET A 57 -6.061 1.554 -0.739 1.00 0.00 C ATOM 875 O MET A 57 -5.600 2.023 -1.774 1.00 0.00 O ATOM 876 CB MET A 57 -4.977 1.162 1.503 1.00 0.00 C ATOM 877 CG MET A 57 -4.473 1.735 2.831 1.00 0.00 C ATOM 878 SD MET A 57 -3.890 0.530 4.047 1.00 0.00 S ATOM 879 CE MET A 57 -3.330 -0.799 2.967 1.00 0.00 C ATOM 0 H MET A 57 -6.902 2.341 2.300 1.00 0.00 H new ATOM 0 HA MET A 57 -5.037 3.007 0.408 1.00 0.00 H new ATOM 0 HB2 MET A 57 -5.651 0.332 1.712 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.129 0.753 0.953 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.660 2.429 2.619 1.00 0.00 H new ATOM 0 HG3 MET A 57 -5.278 2.315 3.282 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.782 -1.537 3.553 1.00 0.00 H new ATOM 0 HE2 MET A 57 -4.192 -1.274 2.498 1.00 0.00 H new ATOM 0 HE3 MET A 57 -2.677 -0.390 2.196 1.00 0.00 H new ATOM 889 N LYS A 58 -6.882 0.504 -0.753 1.00 0.00 N ATOM 890 CA LYS A 58 -7.266 -0.166 -1.985 1.00 0.00 C ATOM 891 C LYS A 58 -8.015 0.768 -2.904 1.00 0.00 C ATOM 892 O LYS A 58 -7.630 0.894 -4.053 1.00 0.00 O ATOM 893 CB LYS A 58 -8.024 -1.458 -1.690 1.00 0.00 C ATOM 894 CG LYS A 58 -8.864 -2.065 -2.827 1.00 0.00 C ATOM 895 CD LYS A 58 -9.432 -3.413 -2.339 1.00 0.00 C ATOM 896 CE LYS A 58 -9.678 -4.416 -3.477 1.00 0.00 C ATOM 897 NZ LYS A 58 -10.765 -4.014 -4.386 1.00 0.00 N ATOM 0 H LYS A 58 -7.295 0.099 0.087 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.362 -0.456 -2.521 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -7.300 -2.207 -1.370 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -8.686 -1.274 -0.844 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.673 -1.389 -3.104 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.251 -2.210 -3.717 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.740 -3.852 -1.620 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -10.369 -3.235 -1.812 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -8.759 -4.535 -4.051 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.914 -5.390 -3.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.638 -4.481 -5.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -11.680 -4.295 -3.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -10.746 -2.982 -4.515 1.00 0.00 H new ATOM 911 N LYS A 59 -9.068 1.420 -2.432 1.00 0.00 N ATOM 912 CA LYS A 59 -9.837 2.355 -3.229 1.00 0.00 C ATOM 913 C LYS A 59 -8.886 3.312 -3.937 1.00 0.00 C ATOM 914 O LYS A 59 -8.963 3.459 -5.153 1.00 0.00 O ATOM 915 CB LYS A 59 -10.860 3.063 -2.339 1.00 0.00 C ATOM 916 CG LYS A 59 -12.092 3.583 -3.082 1.00 0.00 C ATOM 917 CD LYS A 59 -11.865 4.988 -3.645 1.00 0.00 C ATOM 918 CE LYS A 59 -13.069 5.391 -4.503 1.00 0.00 C ATOM 919 NZ LYS A 59 -12.982 6.800 -4.932 1.00 0.00 N ATOM 0 H LYS A 59 -9.412 1.312 -1.478 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.402 1.837 -4.004 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -11.185 2.373 -1.560 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.372 3.900 -1.840 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -12.341 2.901 -3.895 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -12.946 3.596 -2.405 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.729 5.701 -2.831 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.954 5.010 -4.243 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.124 4.746 -5.380 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.988 5.238 -3.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.813 7.039 -5.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.954 7.417 -4.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -12.118 6.939 -5.493 1.00 0.00 H new ATOM 933 N GLN A 60 -7.951 3.915 -3.198 1.00 0.00 N ATOM 934 CA GLN A 60 -6.959 4.784 -3.822 1.00 0.00 C ATOM 935 C GLN A 60 -6.087 4.035 -4.838 1.00 0.00 C ATOM 936 O GLN A 60 -5.872 4.512 -5.950 1.00 0.00 O ATOM 937 CB GLN A 60 -6.073 5.430 -2.758 1.00 0.00 C ATOM 938 CG GLN A 60 -6.823 6.426 -1.867 1.00 0.00 C ATOM 939 CD GLN A 60 -7.405 7.623 -2.610 1.00 0.00 C ATOM 940 OE1 GLN A 60 -6.948 7.994 -3.690 1.00 0.00 O ATOM 941 NE2 GLN A 60 -8.432 8.241 -2.041 1.00 0.00 N ATOM 0 H GLN A 60 -7.863 3.819 -2.186 1.00 0.00 H new ATOM 0 HA GLN A 60 -7.506 5.557 -4.362 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.640 4.649 -2.133 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.245 5.943 -3.247 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -7.632 5.902 -1.358 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -6.143 6.788 -1.096 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -8.792 7.913 -1.145 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -8.862 9.044 -2.500 1.00 0.00 H new ATOM 950 N ILE A 61 -5.540 2.883 -4.450 1.00 0.00 N ATOM 951 CA ILE A 61 -4.612 2.132 -5.281 1.00 0.00 C ATOM 952 C ILE A 61 -5.329 1.560 -6.501 1.00 0.00 C ATOM 953 O ILE A 61 -5.014 1.947 -7.624 1.00 0.00 O ATOM 954 CB ILE A 61 -3.868 1.089 -4.437 1.00 0.00 C ATOM 955 CG1 ILE A 61 -2.956 1.880 -3.480 1.00 0.00 C ATOM 956 CG2 ILE A 61 -3.060 0.147 -5.342 1.00 0.00 C ATOM 957 CD1 ILE A 61 -2.160 0.984 -2.539 1.00 0.00 C ATOM 0 H ILE A 61 -5.731 2.447 -3.548 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.844 2.796 -5.678 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.556 0.459 -3.874 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.265 2.488 -4.065 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.565 2.566 -2.891 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.538 -0.587 -4.729 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.734 -0.366 -6.027 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.334 0.725 -5.913 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.537 1.600 -1.890 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.846 0.395 -1.930 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.527 0.315 -3.122 1.00 0.00 H new ATOM 969 N GLU A 62 -6.303 0.666 -6.306 1.00 0.00 N ATOM 970 CA GLU A 62 -7.147 0.183 -7.379 1.00 0.00 C ATOM 971 C GLU A 62 -7.666 1.311 -8.279 1.00 0.00 C ATOM 972 O GLU A 62 -7.704 1.124 -9.492 1.00 0.00 O ATOM 973 CB GLU A 62 -8.302 -0.614 -6.763 1.00 0.00 C ATOM 974 CG GLU A 62 -8.374 -2.045 -7.287 1.00 0.00 C ATOM 975 CD GLU A 62 -9.559 -2.769 -6.670 1.00 0.00 C ATOM 976 OE1 GLU A 62 -10.380 -2.096 -6.006 1.00 0.00 O ATOM 977 OE2 GLU A 62 -9.603 -4.018 -6.702 1.00 0.00 O ATOM 0 H GLU A 62 -6.521 0.262 -5.395 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.552 -0.459 -8.029 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.187 -0.633 -5.679 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -9.243 -0.106 -6.975 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.467 -2.038 -8.373 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.451 -2.574 -7.050 1.00 0.00 H new ATOM 984 N ALA A 63 -8.040 2.481 -7.733 1.00 0.00 N ATOM 985 CA ALA A 63 -8.500 3.593 -8.567 1.00 0.00 C ATOM 986 C ALA A 63 -7.495 3.982 -9.655 1.00 0.00 C ATOM 987 O ALA A 63 -7.906 4.430 -10.723 1.00 0.00 O ATOM 988 CB ALA A 63 -8.826 4.821 -7.723 1.00 0.00 C ATOM 0 H ALA A 63 -8.032 2.675 -6.732 1.00 0.00 H new ATOM 0 HA ALA A 63 -9.404 3.235 -9.060 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -9.165 5.629 -8.372 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.613 4.574 -7.010 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -7.934 5.139 -7.183 1.00 0.00 H new ATOM 994 N MET A 64 -6.189 3.826 -9.404 1.00 0.00 N ATOM 995 CA MET A 64 -5.183 4.022 -10.433 1.00 0.00 C ATOM 996 C MET A 64 -5.452 3.114 -11.639 1.00 0.00 C ATOM 997 O MET A 64 -5.253 3.521 -12.781 1.00 0.00 O ATOM 998 CB MET A 64 -3.796 3.719 -9.870 1.00 0.00 C ATOM 999 CG MET A 64 -3.367 4.613 -8.705 1.00 0.00 C ATOM 1000 SD MET A 64 -3.363 6.392 -9.047 1.00 0.00 S ATOM 1001 CE MET A 64 -2.527 7.002 -7.568 1.00 0.00 C ATOM 0 H MET A 64 -5.813 3.564 -8.493 1.00 0.00 H new ATOM 0 HA MET A 64 -5.228 5.061 -10.759 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.772 2.680 -9.540 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.065 3.816 -10.672 1.00 0.00 H new ATOM 0 HG2 MET A 64 -4.031 4.424 -7.862 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.365 4.318 -8.394 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.427 8.086 -7.628 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.111 6.740 -6.686 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.538 6.549 -7.496 1.00 0.00 H new ATOM 1011 N GLY A 65 -5.876 1.875 -11.368 1.00 0.00 N ATOM 1012 CA GLY A 65 -6.185 0.856 -12.359 1.00 0.00 C ATOM 1013 C GLY A 65 -5.558 -0.481 -11.968 1.00 0.00 C ATOM 1014 O GLY A 65 -5.941 -1.527 -12.487 1.00 0.00 O ATOM 0 H GLY A 65 -6.017 1.548 -10.412 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -7.266 0.745 -12.449 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -5.814 1.166 -13.336 1.00 0.00 H new ATOM 1018 N PHE A 66 -4.574 -0.451 -11.067 1.00 0.00 N ATOM 1019 CA PHE A 66 -3.762 -1.602 -10.718 1.00 0.00 C ATOM 1020 C PHE A 66 -4.531 -2.523 -9.764 1.00 0.00 C ATOM 1021 O PHE A 66 -4.794 -2.108 -8.636 1.00 0.00 O ATOM 1022 CB PHE A 66 -2.493 -1.086 -10.036 1.00 0.00 C ATOM 1023 CG PHE A 66 -1.710 -0.072 -10.849 1.00 0.00 C ATOM 1024 CD1 PHE A 66 -1.302 -0.367 -12.163 1.00 0.00 C ATOM 1025 CD2 PHE A 66 -1.455 1.202 -10.310 1.00 0.00 C ATOM 1026 CE1 PHE A 66 -0.727 0.637 -12.961 1.00 0.00 C ATOM 1027 CE2 PHE A 66 -0.849 2.194 -11.095 1.00 0.00 C ATOM 1028 CZ PHE A 66 -0.528 1.925 -12.435 1.00 0.00 C ATOM 0 H PHE A 66 -4.320 0.393 -10.554 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.512 -2.174 -11.612 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.766 -0.635 -9.082 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.845 -1.934 -9.814 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.431 -1.364 -12.558 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.727 1.417 -9.287 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.438 0.419 -13.978 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.630 3.162 -10.670 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.128 2.708 -13.062 1.00 0.00 H new ATOM 1038 N PRO A 67 -4.874 -3.761 -10.151 1.00 0.00 N ATOM 1039 CA PRO A 67 -5.494 -4.691 -9.224 1.00 0.00 C ATOM 1040 C PRO A 67 -4.470 -5.051 -8.145 1.00 0.00 C ATOM 1041 O PRO A 67 -3.283 -5.191 -8.450 1.00 0.00 O ATOM 1042 CB PRO A 67 -5.893 -5.901 -10.070 1.00 0.00 C ATOM 1043 CG PRO A 67 -4.843 -5.908 -11.182 1.00 0.00 C ATOM 1044 CD PRO A 67 -4.557 -4.422 -11.409 1.00 0.00 C ATOM 0 HA PRO A 67 -6.369 -4.287 -8.714 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -5.872 -6.823 -9.490 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.902 -5.799 -10.469 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -3.945 -6.449 -10.883 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.218 -6.388 -12.086 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.514 -4.262 -11.683 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -5.165 -4.027 -12.223 1.00 0.00 H new ATOM 1052 N ALA A 68 -4.919 -5.184 -6.891 1.00 0.00 N ATOM 1053 CA ALA A 68 -4.043 -5.500 -5.773 1.00 0.00 C ATOM 1054 C ALA A 68 -4.667 -6.543 -4.851 1.00 0.00 C ATOM 1055 O ALA A 68 -5.852 -6.451 -4.532 1.00 0.00 O ATOM 1056 CB ALA A 68 -3.712 -4.236 -4.983 1.00 0.00 C ATOM 0 H ALA A 68 -5.899 -5.074 -6.631 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.123 -5.918 -6.182 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -3.056 -4.489 -4.150 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.211 -3.520 -5.635 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.632 -3.795 -4.599 1.00 0.00 H new ATOM 1062 N PHE A 69 -3.863 -7.508 -4.391 1.00 0.00 N ATOM 1063 CA PHE A 69 -4.299 -8.559 -3.480 1.00 0.00 C ATOM 1064 C PHE A 69 -3.703 -8.307 -2.098 1.00 0.00 C ATOM 1065 O PHE A 69 -2.726 -8.951 -1.716 1.00 0.00 O ATOM 1066 CB PHE A 69 -3.919 -9.934 -4.021 1.00 0.00 C ATOM 1067 CG PHE A 69 -4.840 -10.470 -5.097 1.00 0.00 C ATOM 1068 CD1 PHE A 69 -4.694 -10.048 -6.431 1.00 0.00 C ATOM 1069 CD2 PHE A 69 -5.839 -11.405 -4.763 1.00 0.00 C ATOM 1070 CE1 PHE A 69 -5.529 -10.578 -7.431 1.00 0.00 C ATOM 1071 CE2 PHE A 69 -6.664 -11.943 -5.765 1.00 0.00 C ATOM 1072 CZ PHE A 69 -6.507 -11.532 -7.100 1.00 0.00 C ATOM 0 H PHE A 69 -2.878 -7.577 -4.648 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.385 -8.542 -3.394 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -2.906 -9.884 -4.421 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -3.900 -10.642 -3.193 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -3.941 -9.317 -6.687 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -5.971 -11.709 -3.735 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -5.419 -10.252 -8.455 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -7.419 -12.672 -5.510 1.00 0.00 H new ATOM 0 HZ PHE A 69 -7.138 -11.949 -7.871 1.00 0.00 H new ATOM 1082 N VAL A 70 -4.315 -7.375 -1.365 1.00 0.00 N ATOM 1083 CA VAL A 70 -4.062 -7.094 0.046 1.00 0.00 C ATOM 1084 C VAL A 70 -4.466 -8.295 0.912 1.00 0.00 C ATOM 1085 O VAL A 70 -5.652 -8.550 1.099 1.00 0.00 O ATOM 1086 CB VAL A 70 -4.716 -5.758 0.425 1.00 0.00 C ATOM 1087 CG1 VAL A 70 -6.236 -5.798 0.389 1.00 0.00 C ATOM 1088 CG2 VAL A 70 -4.226 -5.281 1.795 1.00 0.00 C ATOM 0 H VAL A 70 -5.034 -6.768 -1.759 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.997 -6.965 0.237 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.407 -5.043 -0.337 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -6.632 -4.822 0.667 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.570 -6.052 -0.617 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.597 -6.550 1.091 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.703 -4.333 2.042 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.481 -6.023 2.551 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.145 -5.147 1.768 1.00 0.00 H new ATOM 1098 N LYS A 71 -3.494 -9.068 1.412 1.00 0.00 N ATOM 1099 CA LYS A 71 -3.774 -10.206 2.275 1.00 0.00 C ATOM 1100 C LYS A 71 -2.585 -10.571 3.169 1.00 0.00 C ATOM 1101 O LYS A 71 -2.076 -11.692 3.141 1.00 0.00 O ATOM 1102 CB LYS A 71 -4.295 -11.377 1.456 1.00 0.00 C ATOM 1103 CG LYS A 71 -3.321 -11.730 0.346 1.00 0.00 C ATOM 1104 CD LYS A 71 -3.735 -13.082 -0.258 1.00 0.00 C ATOM 1105 CE LYS A 71 -2.683 -13.634 -1.227 1.00 0.00 C ATOM 1106 NZ LYS A 71 -3.079 -14.949 -1.778 1.00 0.00 N ATOM 0 H LYS A 71 -2.502 -8.919 1.228 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.566 -9.920 2.968 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.446 -12.241 2.103 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.266 -11.125 1.029 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -3.325 -10.956 -0.421 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.305 -11.786 0.737 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -3.899 -13.801 0.545 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.684 -12.968 -0.782 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.535 -12.927 -2.044 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.728 -13.729 -0.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.342 -15.289 -2.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.196 -15.630 -1.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.978 -14.853 -2.292 1.00 0.00 H new ATOM 1120 N LYS A 72 -2.142 -9.619 3.982 1.00 0.00 N ATOM 1121 CA LYS A 72 -1.087 -9.821 4.960 1.00 0.00 C ATOM 1122 C LYS A 72 -1.330 -8.740 6.004 1.00 0.00 C ATOM 1123 O LYS A 72 -1.554 -7.603 5.605 1.00 0.00 O ATOM 1124 CB LYS A 72 0.275 -9.628 4.273 1.00 0.00 C ATOM 1125 CG LYS A 72 1.370 -10.627 4.679 1.00 0.00 C ATOM 1126 CD LYS A 72 1.528 -11.730 3.618 1.00 0.00 C ATOM 1127 CE LYS A 72 2.803 -12.567 3.806 1.00 0.00 C ATOM 1128 NZ LYS A 72 2.840 -13.276 5.100 1.00 0.00 N ATOM 0 H LYS A 72 -2.514 -8.669 3.978 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.087 -10.817 5.404 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.130 -9.693 3.195 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.630 -8.620 4.487 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.317 -10.102 4.808 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.121 -11.075 5.641 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.660 -12.388 3.654 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.542 -11.274 2.628 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.877 -13.294 2.997 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.674 -11.916 3.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.651 -13.927 5.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.935 -12.585 5.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.960 -13.816 5.225 1.00 0.00 H new ATOM 1142 N ILE A 73 -1.328 -9.077 7.293 1.00 0.00 N ATOM 1143 CA ILE A 73 -1.555 -8.124 8.373 1.00 0.00 C ATOM 1144 C ILE A 73 -0.441 -8.331 9.398 1.00 0.00 C ATOM 1145 O ILE A 73 -0.674 -8.775 10.519 1.00 0.00 O ATOM 1146 CB ILE A 73 -2.999 -8.280 8.912 1.00 0.00 C ATOM 1147 CG1 ILE A 73 -3.357 -7.319 10.063 1.00 0.00 C ATOM 1148 CG2 ILE A 73 -3.348 -9.721 9.328 1.00 0.00 C ATOM 1149 CD1 ILE A 73 -3.307 -5.848 9.647 1.00 0.00 C ATOM 0 H ILE A 73 -1.167 -10.030 7.618 1.00 0.00 H new ATOM 0 HA ILE A 73 -1.500 -7.085 8.048 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.609 -8.007 8.050 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.357 -7.554 10.429 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.668 -7.481 10.892 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.374 -9.755 9.695 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.248 -10.382 8.467 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.669 -10.047 10.116 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.568 -5.220 10.499 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -2.301 -5.600 9.308 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.016 -5.675 8.837 1.00 0.00 H new ATOM 1161 N GLU A 74 0.801 -8.067 8.985 1.00 0.00 N ATOM 1162 CA GLU A 74 1.941 -8.293 9.858 1.00 0.00 C ATOM 1163 C GLU A 74 2.130 -7.069 10.764 1.00 0.00 C ATOM 1164 O GLU A 74 2.131 -5.921 10.309 1.00 0.00 O ATOM 1165 CB GLU A 74 3.178 -8.728 9.063 1.00 0.00 C ATOM 1166 CG GLU A 74 2.936 -10.122 8.466 1.00 0.00 C ATOM 1167 CD GLU A 74 4.011 -10.530 7.474 1.00 0.00 C ATOM 1168 OE1 GLU A 74 5.138 -10.005 7.568 1.00 0.00 O ATOM 1169 OE2 GLU A 74 3.670 -11.368 6.612 1.00 0.00 O ATOM 0 H GLU A 74 1.035 -7.701 8.062 1.00 0.00 H new ATOM 0 HA GLU A 74 1.758 -9.136 10.524 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.384 -8.011 8.269 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.054 -8.745 9.712 1.00 0.00 H new ATOM 0 HG2 GLU A 74 2.894 -10.855 9.271 1.00 0.00 H new ATOM 0 HG3 GLU A 74 1.965 -10.137 7.970 1.00 0.00 H new ATOM 1176 N GLY A 75 2.203 -7.343 12.067 1.00 0.00 N ATOM 1177 CA GLY A 75 2.128 -6.363 13.132 1.00 0.00 C ATOM 1178 C GLY A 75 1.952 -7.110 14.453 1.00 0.00 C ATOM 1179 O GLY A 75 0.833 -7.293 14.936 1.00 0.00 O ATOM 0 H GLY A 75 2.321 -8.295 12.415 1.00 0.00 H new ATOM 0 HA2 GLY A 75 3.033 -5.756 13.155 1.00 0.00 H new ATOM 0 HA3 GLY A 75 1.293 -5.683 12.965 1.00 0.00 H new ATOM 1183 N ARG A 76 3.064 -7.590 15.003 1.00 0.00 N ATOM 1184 CA ARG A 76 3.215 -8.019 16.380 1.00 0.00 C ATOM 1185 C ARG A 76 4.440 -7.249 16.865 1.00 0.00 C ATOM 1186 O ARG A 76 4.576 -7.099 18.097 1.00 0.00 O ATOM 1187 CB ARG A 76 3.486 -9.530 16.478 1.00 0.00 C ATOM 1188 CG ARG A 76 2.228 -10.400 16.585 1.00 0.00 C ATOM 1189 CD ARG A 76 1.534 -10.659 15.242 1.00 0.00 C ATOM 1190 NE ARG A 76 0.415 -11.601 15.405 1.00 0.00 N ATOM 1191 CZ ARG A 76 -0.762 -11.305 15.979 1.00 0.00 C ATOM 1192 NH1 ARG A 76 -1.039 -10.042 16.326 1.00 0.00 N ATOM 1193 NH2 ARG A 76 -1.650 -12.281 16.213 1.00 0.00 N ATOM 1194 OXT ARG A 76 5.212 -6.830 15.970 1.00 0.00 O ATOM 0 H ARG A 76 3.926 -7.693 14.468 1.00 0.00 H new ATOM 0 HA ARG A 76 2.314 -7.832 16.965 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.053 -9.841 15.601 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.116 -9.717 17.348 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.497 -11.356 17.034 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.521 -9.918 17.261 1.00 0.00 H new ATOM 0 HD2 ARG A 76 1.167 -9.719 14.830 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.253 -11.061 14.528 1.00 0.00 H new ATOM 0 HE ARG A 76 0.543 -12.551 15.055 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -0.356 -9.304 16.154 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.933 -9.817 16.762 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -1.430 -13.243 15.955 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.546 -12.062 16.649 1.00 0.00 H new TER 1208 ARG A 76 HETATM 1209 CU CU1 A 77 6.675 1.946 -14.514 1.00 0.00 CU