USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 733 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 45 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 76 LYS NZ :NH3+ -165:sc= -2.07 (180deg=-2.91!) USER MOD Set 2.1: A 5 MET CE :methyl -121:sc= -4.48! (180deg=-7.01!) USER MOD Set 2.2: A 64 LYS NZ :NH3+ 161:sc= -1.6 (180deg=-1.73) USER MOD Set 3.1: A 38 THR OG1 : rot 80:sc= 0.967 USER MOD Set 3.2: A 54 LYS NZ :NH3+ -147:sc= 1.17 (180deg=0) USER MOD Set 4.1: A 24 LYS NZ :NH3+ 161:sc= -0.379 (180deg=-0.0128) USER MOD Set 4.2: A 29 HIS : no HD1:sc= 0.00373 K(o=-0.38,f=-4.8!) USER MOD Set 5.1: A 9 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 25 SER OG : rot 120:sc= 0 USER MOD Set 6.1: A 1 SER N :NH3+ 179:sc= -0.136 (180deg=-0.137) USER MOD Set 6.2: A 2 ASN : amide:sc= 0.252 K(o=0.12,f=-6.2!) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= -0.011 X(o=-0.011,f=-0.18) USER MOD Single : A 8 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.103) USER MOD Single : A 11 THR OG1 : rot -107:sc= 1.2 USER MOD Single : A 14 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0712) USER MOD Single : A 17 LYS NZ :NH3+ -120:sc= -0.101 (180deg=-2.51!) USER MOD Single : A 18 ASN : amide:sc= -2.14! C(o=-2.1!,f=-3!) USER MOD Single : A 21 MET CE :methyl -162:sc= -1.52 (180deg=-2.46) USER MOD Single : A 30 LYS NZ :NH3+ 156:sc= -0.0899 (180deg=-1.61) USER MOD Single : A 31 TYR OH : rot 130:sc= 0 USER MOD Single : A 32 SER OG : rot -88:sc= 0.926 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.0357) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 68:sc= 1.26 USER MOD Single : A 86 TYR OH : rot 174:sc= -0.908 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 5.731 -14.253 -2.078 1.00 5.27 N ATOM 2 CA SER A 1 6.912 -13.922 -2.918 1.00 4.57 C ATOM 3 C SER A 1 6.493 -13.148 -4.163 1.00 3.87 C ATOM 4 O SER A 1 7.324 -12.823 -5.012 1.00 4.07 O ATOM 5 CB SER A 1 7.645 -15.202 -3.325 1.00 4.91 C ATOM 6 OG SER A 1 6.798 -16.061 -4.070 1.00 5.15 O ATOM 0 H1 SER A 1 6.038 -14.794 -1.245 1.00 5.27 H new ATOM 0 H2 SER A 1 5.268 -13.375 -1.769 1.00 5.27 H new ATOM 0 H3 SER A 1 5.059 -14.822 -2.632 1.00 5.27 H new ATOM 0 HA SER A 1 7.583 -13.295 -2.330 1.00 4.57 H new ATOM 0 HB2 SER A 1 8.524 -14.949 -3.918 1.00 4.91 H new ATOM 0 HB3 SER A 1 8.001 -15.720 -2.434 1.00 4.91 H new ATOM 0 HG SER A 1 7.291 -16.871 -4.319 1.00 5.15 H new ATOM 14 N ASN A 2 5.200 -12.858 -4.266 1.00 3.40 N ATOM 15 CA ASN A 2 4.670 -12.120 -5.407 1.00 2.96 C ATOM 16 C ASN A 2 4.448 -10.653 -5.051 1.00 2.16 C ATOM 17 O ASN A 2 3.676 -10.334 -4.147 1.00 2.43 O ATOM 18 CB ASN A 2 3.358 -12.749 -5.886 1.00 3.50 C ATOM 19 CG ASN A 2 2.286 -12.751 -4.813 1.00 3.39 C ATOM 20 OD1 ASN A 2 2.583 -12.835 -3.621 1.00 3.86 O ATOM 21 ND2 ASN A 2 1.030 -12.657 -5.231 1.00 3.25 N ATOM 0 H ASN A 2 4.500 -13.123 -3.573 1.00 3.40 H new ATOM 0 HA ASN A 2 5.402 -12.171 -6.213 1.00 2.96 H new ATOM 0 HB2 ASN A 2 2.994 -12.203 -6.757 1.00 3.50 H new ATOM 0 HB3 ASN A 2 3.547 -13.773 -6.208 1.00 3.50 H new ATOM 0 HD21 ASN A 2 0.266 -12.652 -4.555 1.00 3.25 H new ATOM 0 HD22 ASN A 2 0.828 -12.589 -6.229 1.00 3.25 H new ATOM 28 N SER A 3 5.131 -9.765 -5.767 1.00 1.75 N ATOM 29 CA SER A 3 5.005 -8.332 -5.523 1.00 1.09 C ATOM 30 C SER A 3 3.877 -7.743 -6.360 1.00 0.88 C ATOM 31 O SER A 3 3.770 -6.525 -6.507 1.00 1.68 O ATOM 32 CB SER A 3 6.321 -7.617 -5.833 1.00 1.05 C ATOM 33 OG SER A 3 6.448 -7.360 -7.221 1.00 1.79 O ATOM 0 H SER A 3 5.775 -10.011 -6.518 1.00 1.75 H new ATOM 0 HA SER A 3 4.769 -8.185 -4.469 1.00 1.09 H new ATOM 0 HB2 SER A 3 6.367 -6.678 -5.281 1.00 1.05 H new ATOM 0 HB3 SER A 3 7.158 -8.227 -5.495 1.00 1.05 H new ATOM 0 HG SER A 3 7.297 -6.901 -7.392 1.00 1.79 H new ATOM 39 N SER A 4 3.040 -8.616 -6.911 1.00 0.65 N ATOM 40 CA SER A 4 1.916 -8.183 -7.731 1.00 0.69 C ATOM 41 C SER A 4 0.946 -7.342 -6.911 1.00 0.84 C ATOM 42 O SER A 4 0.749 -7.586 -5.721 1.00 1.84 O ATOM 43 CB SER A 4 1.190 -9.393 -8.320 1.00 1.16 C ATOM 44 OG SER A 4 2.049 -10.146 -9.158 1.00 1.99 O ATOM 0 H SER A 4 3.119 -9.627 -6.804 1.00 0.65 H new ATOM 0 HA SER A 4 2.303 -7.572 -8.546 1.00 0.69 H new ATOM 0 HB2 SER A 4 0.818 -10.025 -7.514 1.00 1.16 H new ATOM 0 HB3 SER A 4 0.323 -9.059 -8.890 1.00 1.16 H new ATOM 0 HG SER A 4 1.561 -10.915 -9.520 1.00 1.99 H new ATOM 50 N MET A 5 0.345 -6.349 -7.556 1.00 0.47 N ATOM 51 CA MET A 5 -0.604 -5.468 -6.890 1.00 0.38 C ATOM 52 C MET A 5 -2.012 -6.056 -6.912 1.00 0.54 C ATOM 53 O MET A 5 -2.827 -5.692 -7.757 1.00 1.22 O ATOM 54 CB MET A 5 -0.602 -4.094 -7.555 1.00 0.40 C ATOM 55 CG MET A 5 0.470 -3.163 -7.018 1.00 0.34 C ATOM 56 SD MET A 5 2.089 -3.950 -6.927 1.00 0.56 S ATOM 57 CE MET A 5 3.046 -2.659 -6.137 1.00 0.37 C ATOM 0 H MET A 5 0.499 -6.134 -8.541 1.00 0.47 H new ATOM 0 HA MET A 5 -0.295 -5.365 -5.850 1.00 0.38 H new ATOM 0 HB2 MET A 5 -0.459 -4.219 -8.628 1.00 0.40 H new ATOM 0 HB3 MET A 5 -1.578 -3.630 -7.415 1.00 0.40 H new ATOM 0 HG2 MET A 5 0.534 -2.282 -7.656 1.00 0.34 H new ATOM 0 HG3 MET A 5 0.182 -2.817 -6.025 1.00 0.34 H new ATOM 0 HE1 MET A 5 3.876 -2.374 -6.784 1.00 0.37 H new ATOM 0 HE2 MET A 5 2.410 -1.792 -5.959 1.00 0.37 H new ATOM 0 HE3 MET A 5 3.436 -3.025 -5.187 1.00 0.37 H new ATOM 67 N ASN A 6 -2.290 -6.968 -5.979 1.00 0.27 N ATOM 68 CA ASN A 6 -3.602 -7.609 -5.889 1.00 0.24 C ATOM 69 C ASN A 6 -4.684 -6.587 -5.528 1.00 0.24 C ATOM 70 O ASN A 6 -4.780 -6.173 -4.378 1.00 0.25 O ATOM 71 CB ASN A 6 -3.576 -8.720 -4.835 1.00 0.28 C ATOM 72 CG ASN A 6 -2.482 -9.738 -5.092 1.00 0.92 C ATOM 73 OD1 ASN A 6 -1.351 -9.579 -4.633 1.00 1.72 O ATOM 74 ND2 ASN A 6 -2.815 -10.792 -5.828 1.00 0.87 N ATOM 0 H ASN A 6 -1.622 -7.280 -5.274 1.00 0.27 H new ATOM 0 HA ASN A 6 -3.836 -8.038 -6.863 1.00 0.24 H new ATOM 0 HB2 ASN A 6 -3.432 -8.278 -3.849 1.00 0.28 H new ATOM 0 HB3 ASN A 6 -4.542 -9.225 -4.820 1.00 0.28 H new ATOM 0 HD21 ASN A 6 -2.121 -11.511 -6.033 1.00 0.87 H new ATOM 0 HD22 ASN A 6 -3.765 -10.883 -6.188 1.00 0.87 H new ATOM 81 N PRO A 7 -5.535 -6.187 -6.493 1.00 0.25 N ATOM 82 CA PRO A 7 -6.589 -5.197 -6.242 1.00 0.26 C ATOM 83 C PRO A 7 -7.629 -5.695 -5.247 1.00 0.26 C ATOM 84 O PRO A 7 -8.459 -4.926 -4.770 1.00 0.26 O ATOM 85 CB PRO A 7 -7.224 -4.972 -7.621 1.00 0.28 C ATOM 86 CG PRO A 7 -6.266 -5.558 -8.602 1.00 0.43 C ATOM 87 CD PRO A 7 -5.567 -6.670 -7.882 1.00 0.29 C ATOM 0 HA PRO A 7 -6.186 -4.286 -5.799 1.00 0.26 H new ATOM 0 HB2 PRO A 7 -8.199 -5.455 -7.688 1.00 0.28 H new ATOM 0 HB3 PRO A 7 -7.381 -3.910 -7.812 1.00 0.28 H new ATOM 0 HG2 PRO A 7 -6.789 -5.931 -9.483 1.00 0.43 H new ATOM 0 HG3 PRO A 7 -5.554 -4.809 -8.948 1.00 0.43 H new ATOM 0 HD2 PRO A 7 -6.108 -7.612 -7.971 1.00 0.29 H new ATOM 0 HD3 PRO A 7 -4.564 -6.839 -8.275 1.00 0.29 H new ATOM 95 N LYS A 8 -7.598 -6.988 -4.952 1.00 0.30 N ATOM 96 CA LYS A 8 -8.537 -7.565 -3.999 1.00 0.33 C ATOM 97 C LYS A 8 -8.083 -7.291 -2.572 1.00 0.27 C ATOM 98 O LYS A 8 -8.847 -6.784 -1.749 1.00 0.26 O ATOM 99 CB LYS A 8 -8.682 -9.075 -4.221 1.00 0.43 C ATOM 100 CG LYS A 8 -9.070 -9.448 -5.643 1.00 0.77 C ATOM 101 CD LYS A 8 -7.850 -9.571 -6.541 1.00 0.59 C ATOM 102 CE LYS A 8 -8.143 -9.070 -7.944 1.00 0.73 C ATOM 103 NZ LYS A 8 -9.332 -9.740 -8.538 1.00 1.39 N ATOM 0 H LYS A 8 -6.938 -7.653 -5.355 1.00 0.30 H new ATOM 0 HA LYS A 8 -9.508 -7.097 -4.158 1.00 0.33 H new ATOM 0 HB2 LYS A 8 -7.740 -9.562 -3.971 1.00 0.43 H new ATOM 0 HB3 LYS A 8 -9.434 -9.464 -3.534 1.00 0.43 H new ATOM 0 HG2 LYS A 8 -9.615 -10.392 -5.637 1.00 0.77 H new ATOM 0 HG3 LYS A 8 -9.745 -8.693 -6.047 1.00 0.77 H new ATOM 0 HD2 LYS A 8 -7.024 -9.002 -6.115 1.00 0.59 H new ATOM 0 HD3 LYS A 8 -7.531 -10.612 -6.584 1.00 0.59 H new ATOM 0 HE2 LYS A 8 -8.309 -7.993 -7.917 1.00 0.73 H new ATOM 0 HE3 LYS A 8 -7.274 -9.243 -8.579 1.00 0.73 H new ATOM 0 HZ1 LYS A 8 -9.379 -9.526 -9.555 1.00 1.39 H new ATOM 0 HZ2 LYS A 8 -9.254 -10.768 -8.404 1.00 1.39 H new ATOM 0 HZ3 LYS A 8 -10.195 -9.394 -8.071 1.00 1.39 H new ATOM 117 N SER A 9 -6.832 -7.630 -2.289 1.00 0.26 N ATOM 118 CA SER A 9 -6.261 -7.433 -0.964 1.00 0.26 C ATOM 119 C SER A 9 -5.895 -5.975 -0.717 1.00 0.19 C ATOM 120 O SER A 9 -6.062 -5.464 0.390 1.00 0.23 O ATOM 121 CB SER A 9 -5.028 -8.321 -0.786 1.00 0.33 C ATOM 122 OG SER A 9 -5.388 -9.691 -0.738 1.00 0.71 O ATOM 0 H SER A 9 -6.190 -8.045 -2.964 1.00 0.26 H new ATOM 0 HA SER A 9 -7.019 -7.713 -0.232 1.00 0.26 H new ATOM 0 HB2 SER A 9 -4.333 -8.153 -1.609 1.00 0.33 H new ATOM 0 HB3 SER A 9 -4.508 -8.046 0.132 1.00 0.33 H new ATOM 0 HG SER A 9 -4.582 -10.237 -0.626 1.00 0.71 H new ATOM 128 N LEU A 10 -5.396 -5.305 -1.749 1.00 0.15 N ATOM 129 CA LEU A 10 -5.003 -3.907 -1.625 1.00 0.20 C ATOM 130 C LEU A 10 -6.206 -3.015 -1.375 1.00 0.19 C ATOM 131 O LEU A 10 -6.057 -1.824 -1.114 1.00 0.27 O ATOM 132 CB LEU A 10 -4.270 -3.429 -2.879 1.00 0.24 C ATOM 133 CG LEU A 10 -2.965 -4.167 -3.217 1.00 0.27 C ATOM 134 CD1 LEU A 10 -2.070 -3.295 -4.079 1.00 0.47 C ATOM 135 CD2 LEU A 10 -2.227 -4.599 -1.959 1.00 0.50 C ATOM 0 H LEU A 10 -5.254 -5.705 -2.677 1.00 0.15 H new ATOM 0 HA LEU A 10 -4.330 -3.839 -0.770 1.00 0.20 H new ATOM 0 HB2 LEU A 10 -4.947 -3.520 -3.729 1.00 0.24 H new ATOM 0 HB3 LEU A 10 -4.045 -2.369 -2.763 1.00 0.24 H new ATOM 0 HG LEU A 10 -3.228 -5.065 -3.776 1.00 0.27 H new ATOM 0 HD11 LEU A 10 -1.150 -3.833 -4.309 1.00 0.47 H new ATOM 0 HD12 LEU A 10 -2.587 -3.047 -5.006 1.00 0.47 H new ATOM 0 HD13 LEU A 10 -1.829 -2.378 -3.542 1.00 0.47 H new ATOM 0 HD21 LEU A 10 -1.309 -5.118 -2.236 1.00 0.50 H new ATOM 0 HD22 LEU A 10 -1.982 -3.721 -1.361 1.00 0.50 H new ATOM 0 HD23 LEU A 10 -2.861 -5.268 -1.377 1.00 0.50 H new ATOM 147 N THR A 11 -7.400 -3.583 -1.459 1.00 0.14 N ATOM 148 CA THR A 11 -8.605 -2.799 -1.237 1.00 0.18 C ATOM 149 C THR A 11 -9.496 -3.442 -0.181 1.00 0.15 C ATOM 150 O THR A 11 -10.692 -3.164 -0.106 1.00 0.18 O ATOM 151 CB THR A 11 -9.392 -2.610 -2.544 1.00 0.25 C ATOM 152 OG1 THR A 11 -10.082 -3.820 -2.879 1.00 0.31 O ATOM 153 CG2 THR A 11 -8.456 -2.227 -3.687 1.00 0.35 C ATOM 0 H THR A 11 -7.559 -4.567 -1.675 1.00 0.14 H new ATOM 0 HA THR A 11 -8.292 -1.820 -0.875 1.00 0.18 H new ATOM 0 HB THR A 11 -10.114 -1.807 -2.395 1.00 0.25 H new ATOM 0 HG1 THR A 11 -9.639 -4.249 -3.641 1.00 0.31 H new ATOM 0 HG21 THR A 11 -9.033 -2.098 -4.602 1.00 0.35 H new ATOM 0 HG22 THR A 11 -7.948 -1.294 -3.444 1.00 0.35 H new ATOM 0 HG23 THR A 11 -7.717 -3.015 -3.832 1.00 0.35 H new ATOM 161 N ASP A 12 -8.897 -4.305 0.632 1.00 0.11 N ATOM 162 CA ASP A 12 -9.612 -4.979 1.700 1.00 0.12 C ATOM 163 C ASP A 12 -9.127 -4.424 3.032 1.00 0.11 C ATOM 164 O ASP A 12 -7.959 -4.598 3.381 1.00 0.10 O ATOM 165 CB ASP A 12 -9.375 -6.489 1.632 1.00 0.14 C ATOM 166 CG ASP A 12 -10.326 -7.265 2.522 1.00 0.24 C ATOM 167 OD1 ASP A 12 -11.547 -7.227 2.260 1.00 0.57 O ATOM 168 OD2 ASP A 12 -9.850 -7.916 3.474 1.00 0.51 O ATOM 0 H ASP A 12 -7.910 -4.553 0.567 1.00 0.11 H new ATOM 0 HA ASP A 12 -10.683 -4.804 1.595 1.00 0.12 H new ATOM 0 HB2 ASP A 12 -9.490 -6.826 0.602 1.00 0.14 H new ATOM 0 HB3 ASP A 12 -8.348 -6.706 1.926 1.00 0.14 H new ATOM 173 N PRO A 13 -10.003 -3.742 3.794 1.00 0.11 N ATOM 174 CA PRO A 13 -9.628 -3.140 5.072 1.00 0.11 C ATOM 175 C PRO A 13 -8.776 -4.045 5.953 1.00 0.12 C ATOM 176 O PRO A 13 -8.102 -3.569 6.863 1.00 0.13 O ATOM 177 CB PRO A 13 -10.974 -2.864 5.730 1.00 0.12 C ATOM 178 CG PRO A 13 -11.866 -2.559 4.584 1.00 0.12 C ATOM 179 CD PRO A 13 -11.423 -3.479 3.474 1.00 0.11 C ATOM 0 HA PRO A 13 -9.006 -2.257 4.927 1.00 0.11 H new ATOM 0 HB2 PRO A 13 -11.328 -3.726 6.296 1.00 0.12 H new ATOM 0 HB3 PRO A 13 -10.916 -2.028 6.427 1.00 0.12 H new ATOM 0 HG2 PRO A 13 -12.911 -2.731 4.843 1.00 0.12 H new ATOM 0 HG3 PRO A 13 -11.779 -1.514 4.286 1.00 0.12 H new ATOM 0 HD2 PRO A 13 -12.008 -4.399 3.456 1.00 0.11 H new ATOM 0 HD3 PRO A 13 -11.535 -3.011 2.496 1.00 0.11 H new ATOM 187 N LYS A 14 -8.813 -5.348 5.703 1.00 0.13 N ATOM 188 CA LYS A 14 -8.012 -6.280 6.485 1.00 0.15 C ATOM 189 C LYS A 14 -6.542 -5.912 6.353 1.00 0.13 C ATOM 190 O LYS A 14 -5.852 -5.670 7.343 1.00 0.16 O ATOM 191 CB LYS A 14 -8.239 -7.716 6.009 1.00 0.18 C ATOM 192 CG LYS A 14 -7.609 -8.767 6.909 1.00 0.34 C ATOM 193 CD LYS A 14 -6.125 -8.930 6.625 1.00 0.60 C ATOM 194 CE LYS A 14 -5.349 -9.206 7.896 1.00 0.54 C ATOM 195 NZ LYS A 14 -5.884 -10.383 8.633 1.00 1.37 N ATOM 0 H LYS A 14 -9.382 -5.779 4.974 1.00 0.13 H new ATOM 0 HA LYS A 14 -8.312 -6.216 7.531 1.00 0.15 H new ATOM 0 HB2 LYS A 14 -9.311 -7.902 5.944 1.00 0.18 H new ATOM 0 HB3 LYS A 14 -7.835 -7.823 5.002 1.00 0.18 H new ATOM 0 HG2 LYS A 14 -7.752 -8.486 7.952 1.00 0.34 H new ATOM 0 HG3 LYS A 14 -8.115 -9.722 6.764 1.00 0.34 H new ATOM 0 HD2 LYS A 14 -5.975 -9.748 5.920 1.00 0.60 H new ATOM 0 HD3 LYS A 14 -5.742 -8.026 6.151 1.00 0.60 H new ATOM 0 HE2 LYS A 14 -4.301 -9.378 7.650 1.00 0.54 H new ATOM 0 HE3 LYS A 14 -5.385 -8.328 8.541 1.00 0.54 H new ATOM 0 HZ1 LYS A 14 -5.213 -10.661 9.377 1.00 1.37 H new ATOM 0 HZ2 LYS A 14 -6.797 -10.136 9.065 1.00 1.37 H new ATOM 0 HZ3 LYS A 14 -6.016 -11.175 7.973 1.00 1.37 H new ATOM 209 N LEU A 15 -6.077 -5.878 5.113 1.00 0.09 N ATOM 210 CA LEU A 15 -4.698 -5.533 4.809 1.00 0.08 C ATOM 211 C LEU A 15 -4.454 -4.056 5.040 1.00 0.08 C ATOM 212 O LEU A 15 -3.445 -3.657 5.610 1.00 0.09 O ATOM 213 CB LEU A 15 -4.384 -5.863 3.347 1.00 0.08 C ATOM 214 CG LEU A 15 -4.350 -7.349 2.991 1.00 0.10 C ATOM 215 CD1 LEU A 15 -3.330 -8.059 3.853 1.00 0.12 C ATOM 216 CD2 LEU A 15 -5.724 -7.978 3.153 1.00 0.12 C ATOM 0 H LEU A 15 -6.644 -6.088 4.292 1.00 0.09 H new ATOM 0 HA LEU A 15 -4.051 -6.113 5.467 1.00 0.08 H new ATOM 0 HB2 LEU A 15 -5.127 -5.375 2.717 1.00 0.08 H new ATOM 0 HB3 LEU A 15 -3.417 -5.427 3.096 1.00 0.08 H new ATOM 0 HG LEU A 15 -4.060 -7.451 1.945 1.00 0.10 H new ATOM 0 HD11 LEU A 15 -3.310 -9.118 3.595 1.00 0.12 H new ATOM 0 HD12 LEU A 15 -2.345 -7.625 3.683 1.00 0.12 H new ATOM 0 HD13 LEU A 15 -3.600 -7.946 4.903 1.00 0.12 H new ATOM 0 HD21 LEU A 15 -5.673 -9.035 2.894 1.00 0.12 H new ATOM 0 HD22 LEU A 15 -6.052 -7.873 4.187 1.00 0.12 H new ATOM 0 HD23 LEU A 15 -6.434 -7.477 2.495 1.00 0.12 H new ATOM 228 N LEU A 16 -5.396 -3.253 4.583 1.00 0.10 N ATOM 229 CA LEU A 16 -5.304 -1.811 4.704 1.00 0.12 C ATOM 230 C LEU A 16 -5.070 -1.386 6.152 1.00 0.16 C ATOM 231 O LEU A 16 -4.214 -0.544 6.424 1.00 0.27 O ATOM 232 CB LEU A 16 -6.575 -1.188 4.136 1.00 0.10 C ATOM 233 CG LEU A 16 -6.958 -1.718 2.752 1.00 0.10 C ATOM 234 CD1 LEU A 16 -8.362 -1.279 2.372 1.00 0.10 C ATOM 235 CD2 LEU A 16 -5.942 -1.259 1.715 1.00 0.18 C ATOM 0 H LEU A 16 -6.243 -3.580 4.119 1.00 0.10 H new ATOM 0 HA LEU A 16 -4.445 -1.455 4.135 1.00 0.12 H new ATOM 0 HB2 LEU A 16 -7.398 -1.372 4.826 1.00 0.10 H new ATOM 0 HB3 LEU A 16 -6.444 -0.107 4.077 1.00 0.10 H new ATOM 0 HG LEU A 16 -6.950 -2.808 2.783 1.00 0.10 H new ATOM 0 HD11 LEU A 16 -8.610 -1.668 1.385 1.00 0.10 H new ATOM 0 HD12 LEU A 16 -9.074 -1.663 3.103 1.00 0.10 H new ATOM 0 HD13 LEU A 16 -8.411 -0.190 2.355 1.00 0.10 H new ATOM 0 HD21 LEU A 16 -6.225 -1.642 0.734 1.00 0.18 H new ATOM 0 HD22 LEU A 16 -5.918 -0.170 1.686 1.00 0.18 H new ATOM 0 HD23 LEU A 16 -4.955 -1.636 1.981 1.00 0.18 H new ATOM 247 N LYS A 17 -5.826 -1.969 7.076 1.00 0.14 N ATOM 248 CA LYS A 17 -5.664 -1.659 8.492 1.00 0.17 C ATOM 249 C LYS A 17 -4.379 -2.288 9.015 1.00 0.18 C ATOM 250 O LYS A 17 -3.807 -1.838 10.008 1.00 0.22 O ATOM 251 CB LYS A 17 -6.858 -2.169 9.300 1.00 0.19 C ATOM 252 CG LYS A 17 -8.175 -1.515 8.930 1.00 0.20 C ATOM 253 CD LYS A 17 -9.341 -2.223 9.597 1.00 0.24 C ATOM 254 CE LYS A 17 -10.656 -1.531 9.293 1.00 0.31 C ATOM 255 NZ LYS A 17 -11.806 -2.208 9.952 1.00 0.88 N ATOM 0 H LYS A 17 -6.553 -2.655 6.872 1.00 0.14 H new ATOM 0 HA LYS A 17 -5.609 -0.576 8.604 1.00 0.17 H new ATOM 0 HB2 LYS A 17 -6.946 -3.246 9.159 1.00 0.19 H new ATOM 0 HB3 LYS A 17 -6.665 -2.001 10.360 1.00 0.19 H new ATOM 0 HG2 LYS A 17 -8.162 -0.467 9.230 1.00 0.20 H new ATOM 0 HG3 LYS A 17 -8.304 -1.535 7.848 1.00 0.20 H new ATOM 0 HD2 LYS A 17 -9.385 -3.257 9.255 1.00 0.24 H new ATOM 0 HD3 LYS A 17 -9.183 -2.250 10.675 1.00 0.24 H new ATOM 0 HE2 LYS A 17 -10.606 -0.494 9.626 1.00 0.31 H new ATOM 0 HE3 LYS A 17 -10.815 -1.512 8.215 1.00 0.31 H new ATOM 0 HZ1 LYS A 17 -12.481 -2.528 9.229 1.00 0.88 H new ATOM 0 HZ2 LYS A 17 -11.463 -3.028 10.493 1.00 0.88 H new ATOM 0 HZ3 LYS A 17 -12.278 -1.542 10.596 1.00 0.88 H new ATOM 269 N ASN A 18 -3.935 -3.339 8.329 1.00 0.14 N ATOM 270 CA ASN A 18 -2.715 -4.045 8.694 1.00 0.15 C ATOM 271 C ASN A 18 -1.690 -3.889 7.582 1.00 0.13 C ATOM 272 O ASN A 18 -1.392 -4.844 6.874 1.00 0.11 O ATOM 273 CB ASN A 18 -3.016 -5.535 8.916 1.00 0.16 C ATOM 274 CG ASN A 18 -2.111 -6.166 9.955 1.00 0.24 C ATOM 275 OD1 ASN A 18 -1.548 -5.479 10.809 1.00 0.50 O ATOM 276 ND2 ASN A 18 -1.976 -7.487 9.895 1.00 0.53 N ATOM 0 H ASN A 18 -4.409 -3.721 7.511 1.00 0.14 H new ATOM 0 HA ASN A 18 -2.318 -3.623 9.618 1.00 0.15 H new ATOM 0 HB2 ASN A 18 -4.054 -5.649 9.227 1.00 0.16 H new ATOM 0 HB3 ASN A 18 -2.906 -6.068 7.972 1.00 0.16 H new ATOM 0 HD21 ASN A 18 -1.388 -7.971 10.573 1.00 0.53 H new ATOM 0 HD22 ASN A 18 -2.461 -8.017 9.171 1.00 0.53 H new ATOM 283 N ILE A 19 -1.165 -2.672 7.425 1.00 0.13 N ATOM 284 CA ILE A 19 -0.192 -2.390 6.372 1.00 0.12 C ATOM 285 C ILE A 19 0.843 -3.507 6.230 1.00 0.10 C ATOM 286 O ILE A 19 1.085 -3.968 5.118 1.00 0.09 O ATOM 287 CB ILE A 19 0.515 -1.033 6.579 1.00 0.15 C ATOM 288 CG1 ILE A 19 -0.443 0.126 6.267 1.00 0.20 C ATOM 289 CG2 ILE A 19 1.759 -0.935 5.703 1.00 0.19 C ATOM 290 CD1 ILE A 19 -0.976 0.119 4.845 1.00 0.49 C ATOM 0 H ILE A 19 -1.397 -1.870 8.012 1.00 0.13 H new ATOM 0 HA ILE A 19 -0.762 -2.336 5.445 1.00 0.12 H new ATOM 0 HB ILE A 19 0.819 -0.964 7.623 1.00 0.15 H new ATOM 0 HG12 ILE A 19 -1.284 0.086 6.960 1.00 0.20 H new ATOM 0 HG13 ILE A 19 0.073 1.069 6.446 1.00 0.20 H new ATOM 0 HG21 ILE A 19 2.242 0.029 5.864 1.00 0.19 H new ATOM 0 HG22 ILE A 19 2.451 -1.736 5.963 1.00 0.19 H new ATOM 0 HG23 ILE A 19 1.474 -1.027 4.655 1.00 0.19 H new ATOM 0 HD11 ILE A 19 -1.645 0.968 4.703 1.00 0.49 H new ATOM 0 HD12 ILE A 19 -0.144 0.191 4.144 1.00 0.49 H new ATOM 0 HD13 ILE A 19 -1.522 -0.807 4.666 1.00 0.49 H new ATOM 302 N PRO A 20 1.495 -3.951 7.329 1.00 0.12 N ATOM 303 CA PRO A 20 2.469 -5.041 7.251 1.00 0.12 C ATOM 304 C PRO A 20 1.924 -6.193 6.424 1.00 0.11 C ATOM 305 O PRO A 20 2.620 -6.779 5.594 1.00 0.14 O ATOM 306 CB PRO A 20 2.611 -5.477 8.703 1.00 0.14 C ATOM 307 CG PRO A 20 2.361 -4.242 9.491 1.00 0.15 C ATOM 308 CD PRO A 20 1.369 -3.423 8.704 1.00 0.14 C ATOM 0 HA PRO A 20 3.407 -4.739 6.785 1.00 0.12 H new ATOM 0 HB2 PRO A 20 1.895 -6.259 8.954 1.00 0.14 H new ATOM 0 HB3 PRO A 20 3.605 -5.879 8.901 1.00 0.14 H new ATOM 0 HG2 PRO A 20 1.967 -4.485 10.478 1.00 0.15 H new ATOM 0 HG3 PRO A 20 3.286 -3.687 9.645 1.00 0.15 H new ATOM 0 HD2 PRO A 20 0.356 -3.543 9.088 1.00 0.14 H new ATOM 0 HD3 PRO A 20 1.603 -2.359 8.748 1.00 0.14 H new ATOM 316 N MET A 21 0.660 -6.499 6.676 1.00 0.10 N ATOM 317 CA MET A 21 -0.047 -7.558 5.977 1.00 0.10 C ATOM 318 C MET A 21 -0.337 -7.120 4.542 1.00 0.08 C ATOM 319 O MET A 21 -0.209 -7.899 3.601 1.00 0.10 O ATOM 320 CB MET A 21 -1.340 -7.860 6.732 1.00 0.13 C ATOM 321 CG MET A 21 -1.839 -9.288 6.589 1.00 0.25 C ATOM 322 SD MET A 21 -1.248 -10.382 7.900 1.00 0.94 S ATOM 323 CE MET A 21 0.503 -10.461 7.536 1.00 0.54 C ATOM 0 H MET A 21 0.095 -6.017 7.375 1.00 0.10 H new ATOM 0 HA MET A 21 0.560 -8.462 5.937 1.00 0.10 H new ATOM 0 HB2 MET A 21 -1.185 -7.648 7.790 1.00 0.13 H new ATOM 0 HB3 MET A 21 -2.117 -7.181 6.381 1.00 0.13 H new ATOM 0 HG2 MET A 21 -2.929 -9.287 6.589 1.00 0.25 H new ATOM 0 HG3 MET A 21 -1.521 -9.683 5.624 1.00 0.25 H new ATOM 0 HE1 MET A 21 0.941 -11.324 8.039 1.00 0.54 H new ATOM 0 HE2 MET A 21 0.647 -10.557 6.460 1.00 0.54 H new ATOM 0 HE3 MET A 21 0.989 -9.551 7.888 1.00 0.54 H new ATOM 333 N TRP A 22 -0.754 -5.867 4.393 1.00 0.06 N ATOM 334 CA TRP A 22 -1.023 -5.283 3.088 1.00 0.06 C ATOM 335 C TRP A 22 0.183 -5.464 2.179 1.00 0.06 C ATOM 336 O TRP A 22 0.051 -5.689 0.975 1.00 0.08 O ATOM 337 CB TRP A 22 -1.345 -3.799 3.268 1.00 0.07 C ATOM 338 CG TRP A 22 -1.736 -3.099 2.009 1.00 0.08 C ATOM 339 CD1 TRP A 22 -2.949 -3.143 1.387 1.00 0.09 C ATOM 340 CD2 TRP A 22 -0.908 -2.238 1.225 1.00 0.08 C ATOM 341 NE1 TRP A 22 -2.926 -2.366 0.256 1.00 0.10 N ATOM 342 CE2 TRP A 22 -1.682 -1.802 0.132 1.00 0.10 C ATOM 343 CE3 TRP A 22 0.414 -1.796 1.339 1.00 0.09 C ATOM 344 CZ2 TRP A 22 -1.176 -0.948 -0.842 1.00 0.11 C ATOM 345 CZ3 TRP A 22 0.914 -0.945 0.371 1.00 0.10 C ATOM 346 CH2 TRP A 22 0.122 -0.531 -0.708 1.00 0.11 C ATOM 0 H TRP A 22 -0.914 -5.230 5.174 1.00 0.06 H new ATOM 0 HA TRP A 22 -1.874 -5.782 2.625 1.00 0.06 H new ATOM 0 HB2 TRP A 22 -2.154 -3.700 3.992 1.00 0.07 H new ATOM 0 HB3 TRP A 22 -0.474 -3.299 3.693 1.00 0.07 H new ATOM 0 HD1 TRP A 22 -3.803 -3.707 1.734 1.00 0.09 H new ATOM 0 HE1 TRP A 22 -3.706 -2.230 -0.387 1.00 0.10 H new ATOM 0 HE3 TRP A 22 1.032 -2.113 2.166 1.00 0.09 H new ATOM 0 HZ2 TRP A 22 -1.784 -0.625 -1.674 1.00 0.11 H new ATOM 0 HZ3 TRP A 22 1.932 -0.593 0.448 1.00 0.10 H new ATOM 0 HH2 TRP A 22 0.544 0.131 -1.450 1.00 0.11 H new ATOM 357 N LEU A 23 1.359 -5.359 2.779 1.00 0.06 N ATOM 358 CA LEU A 23 2.612 -5.525 2.070 1.00 0.08 C ATOM 359 C LEU A 23 2.852 -6.993 1.748 1.00 0.10 C ATOM 360 O LEU A 23 3.549 -7.318 0.792 1.00 0.13 O ATOM 361 CB LEU A 23 3.751 -4.990 2.923 1.00 0.09 C ATOM 362 CG LEU A 23 3.765 -3.474 3.096 1.00 0.09 C ATOM 363 CD1 LEU A 23 4.751 -3.074 4.175 1.00 0.10 C ATOM 364 CD2 LEU A 23 4.102 -2.793 1.778 1.00 0.10 C ATOM 0 H LEU A 23 1.468 -5.156 3.773 1.00 0.06 H new ATOM 0 HA LEU A 23 2.565 -4.969 1.134 1.00 0.08 H new ATOM 0 HB2 LEU A 23 3.697 -5.453 3.908 1.00 0.09 H new ATOM 0 HB3 LEU A 23 4.696 -5.299 2.477 1.00 0.09 H new ATOM 0 HG LEU A 23 2.771 -3.149 3.404 1.00 0.09 H new ATOM 0 HD11 LEU A 23 4.749 -1.990 4.286 1.00 0.10 H new ATOM 0 HD12 LEU A 23 4.464 -3.536 5.120 1.00 0.10 H new ATOM 0 HD13 LEU A 23 5.750 -3.408 3.897 1.00 0.10 H new ATOM 0 HD21 LEU A 23 4.108 -1.712 1.918 1.00 0.10 H new ATOM 0 HD22 LEU A 23 5.085 -3.121 1.440 1.00 0.10 H new ATOM 0 HD23 LEU A 23 3.355 -3.058 1.030 1.00 0.10 H new ATOM 376 N LYS A 24 2.289 -7.875 2.571 1.00 0.10 N ATOM 377 CA LYS A 24 2.422 -9.305 2.364 1.00 0.13 C ATOM 378 C LYS A 24 1.934 -9.674 0.965 1.00 0.13 C ATOM 379 O LYS A 24 2.540 -10.496 0.279 1.00 0.16 O ATOM 380 CB LYS A 24 1.618 -10.065 3.423 1.00 0.17 C ATOM 381 CG LYS A 24 2.392 -11.165 4.119 1.00 0.51 C ATOM 382 CD LYS A 24 2.502 -12.400 3.249 1.00 1.24 C ATOM 383 CE LYS A 24 3.739 -12.350 2.372 1.00 2.30 C ATOM 384 NZ LYS A 24 4.973 -12.681 3.136 1.00 3.29 N ATOM 0 H LYS A 24 1.736 -7.618 3.388 1.00 0.10 H new ATOM 0 HA LYS A 24 3.472 -9.583 2.456 1.00 0.13 H new ATOM 0 HB2 LYS A 24 1.263 -9.356 4.171 1.00 0.17 H new ATOM 0 HB3 LYS A 24 0.736 -10.499 2.951 1.00 0.17 H new ATOM 0 HG2 LYS A 24 3.390 -10.806 4.371 1.00 0.51 H new ATOM 0 HG3 LYS A 24 1.899 -11.422 5.057 1.00 0.51 H new ATOM 0 HD2 LYS A 24 2.536 -13.289 3.879 1.00 1.24 H new ATOM 0 HD3 LYS A 24 1.614 -12.487 2.623 1.00 1.24 H new ATOM 0 HE2 LYS A 24 3.626 -13.050 1.544 1.00 2.30 H new ATOM 0 HE3 LYS A 24 3.836 -11.355 1.938 1.00 2.30 H new ATOM 0 HZ1 LYS A 24 5.729 -12.951 2.475 1.00 3.29 H new ATOM 0 HZ2 LYS A 24 5.274 -11.851 3.685 1.00 3.29 H new ATOM 0 HZ3 LYS A 24 4.779 -13.472 3.782 1.00 3.29 H new ATOM 398 N SER A 25 0.830 -9.051 0.549 1.00 0.13 N ATOM 399 CA SER A 25 0.265 -9.294 -0.774 1.00 0.15 C ATOM 400 C SER A 25 1.150 -8.657 -1.842 1.00 0.14 C ATOM 401 O SER A 25 1.029 -8.956 -3.030 1.00 0.20 O ATOM 402 CB SER A 25 -1.163 -8.741 -0.862 1.00 0.20 C ATOM 403 OG SER A 25 -2.049 -9.485 -0.045 1.00 0.96 O ATOM 0 H SER A 25 0.312 -8.375 1.111 1.00 0.13 H new ATOM 0 HA SER A 25 0.224 -10.370 -0.945 1.00 0.15 H new ATOM 0 HB2 SER A 25 -1.171 -7.695 -0.554 1.00 0.20 H new ATOM 0 HB3 SER A 25 -1.505 -8.771 -1.897 1.00 0.20 H new ATOM 0 HG SER A 25 -2.449 -8.894 0.626 1.00 0.96 H new ATOM 409 N LEU A 26 2.039 -7.775 -1.396 1.00 0.12 N ATOM 410 CA LEU A 26 2.972 -7.089 -2.283 1.00 0.13 C ATOM 411 C LEU A 26 4.403 -7.529 -1.973 1.00 0.16 C ATOM 412 O LEU A 26 5.366 -6.925 -2.440 1.00 0.28 O ATOM 413 CB LEU A 26 2.853 -5.578 -2.104 1.00 0.14 C ATOM 414 CG LEU A 26 1.437 -5.020 -2.171 1.00 0.27 C ATOM 415 CD1 LEU A 26 1.426 -3.551 -1.774 1.00 0.38 C ATOM 416 CD2 LEU A 26 0.861 -5.205 -3.563 1.00 0.66 C ATOM 0 H LEU A 26 2.133 -7.516 -0.414 1.00 0.12 H new ATOM 0 HA LEU A 26 2.729 -7.347 -3.314 1.00 0.13 H new ATOM 0 HB2 LEU A 26 3.286 -5.308 -1.141 1.00 0.14 H new ATOM 0 HB3 LEU A 26 3.454 -5.090 -2.871 1.00 0.14 H new ATOM 0 HG LEU A 26 0.812 -5.569 -1.466 1.00 0.27 H new ATOM 0 HD11 LEU A 26 0.407 -3.167 -1.827 1.00 0.38 H new ATOM 0 HD12 LEU A 26 1.801 -3.446 -0.756 1.00 0.38 H new ATOM 0 HD13 LEU A 26 2.063 -2.985 -2.454 1.00 0.38 H new ATOM 0 HD21 LEU A 26 -0.151 -4.801 -3.595 1.00 0.66 H new ATOM 0 HD22 LEU A 26 1.484 -4.680 -4.287 1.00 0.66 H new ATOM 0 HD23 LEU A 26 0.836 -6.267 -3.808 1.00 0.66 H new ATOM 428 N ARG A 27 4.503 -8.573 -1.152 1.00 0.15 N ATOM 429 CA ARG A 27 5.770 -9.166 -0.706 1.00 0.21 C ATOM 430 C ARG A 27 6.748 -8.159 -0.085 1.00 0.21 C ATOM 431 O ARG A 27 7.843 -8.547 0.324 1.00 0.35 O ATOM 432 CB ARG A 27 6.448 -9.992 -1.814 1.00 0.31 C ATOM 433 CG ARG A 27 7.010 -9.196 -2.976 1.00 1.11 C ATOM 434 CD ARG A 27 8.342 -8.545 -2.637 1.00 2.02 C ATOM 435 NE ARG A 27 8.975 -7.949 -3.810 1.00 2.71 N ATOM 436 CZ ARG A 27 10.292 -7.821 -3.955 1.00 3.55 C ATOM 437 NH1 ARG A 27 11.113 -8.241 -3.002 1.00 3.89 N ATOM 438 NH2 ARG A 27 10.788 -7.271 -5.055 1.00 4.34 N ATOM 0 H ARG A 27 3.685 -9.045 -0.766 1.00 0.15 H new ATOM 0 HA ARG A 27 5.491 -9.846 0.099 1.00 0.21 H new ATOM 0 HB2 ARG A 27 7.258 -10.570 -1.368 1.00 0.31 H new ATOM 0 HB3 ARG A 27 5.724 -10.707 -2.204 1.00 0.31 H new ATOM 0 HG2 ARG A 27 7.137 -9.853 -3.836 1.00 1.11 H new ATOM 0 HG3 ARG A 27 6.295 -8.426 -3.266 1.00 1.11 H new ATOM 0 HD2 ARG A 27 8.187 -7.777 -1.879 1.00 2.02 H new ATOM 0 HD3 ARG A 27 9.010 -9.290 -2.204 1.00 2.02 H new ATOM 0 HE ARG A 27 8.374 -7.611 -4.561 1.00 2.71 H new ATOM 0 HH11 ARG A 27 10.736 -8.664 -2.154 1.00 3.89 H new ATOM 0 HH12 ARG A 27 12.122 -8.141 -3.117 1.00 3.89 H new ATOM 0 HH21 ARG A 27 10.160 -6.946 -5.790 1.00 4.34 H new ATOM 0 HH22 ARG A 27 11.797 -7.173 -5.166 1.00 4.34 H new ATOM 452 N LEU A 28 6.377 -6.878 0.000 1.00 0.14 N ATOM 453 CA LEU A 28 7.257 -5.892 0.610 1.00 0.14 C ATOM 454 C LEU A 28 7.045 -5.854 2.112 1.00 0.13 C ATOM 455 O LEU A 28 7.280 -4.829 2.751 1.00 0.13 O ATOM 456 CB LEU A 28 7.046 -4.498 0.018 1.00 0.16 C ATOM 457 CG LEU A 28 6.823 -4.448 -1.488 1.00 0.21 C ATOM 458 CD1 LEU A 28 5.553 -3.681 -1.806 1.00 0.67 C ATOM 459 CD2 LEU A 28 8.018 -3.810 -2.167 1.00 0.67 C ATOM 0 H LEU A 28 5.489 -6.510 -0.341 1.00 0.14 H new ATOM 0 HA LEU A 28 8.283 -6.193 0.397 1.00 0.14 H new ATOM 0 HB2 LEU A 28 6.187 -4.041 0.510 1.00 0.16 H new ATOM 0 HB3 LEU A 28 7.915 -3.885 0.259 1.00 0.16 H new ATOM 0 HG LEU A 28 6.711 -5.465 -1.865 1.00 0.21 H new ATOM 0 HD11 LEU A 28 5.406 -3.653 -2.886 1.00 0.67 H new ATOM 0 HD12 LEU A 28 4.702 -4.175 -1.336 1.00 0.67 H new ATOM 0 HD13 LEU A 28 5.637 -2.663 -1.425 1.00 0.67 H new ATOM 0 HD21 LEU A 28 7.851 -3.778 -3.244 1.00 0.67 H new ATOM 0 HD22 LEU A 28 8.152 -2.796 -1.790 1.00 0.67 H new ATOM 0 HD23 LEU A 28 8.912 -4.396 -1.956 1.00 0.67 H new ATOM 471 N HIS A 29 6.581 -6.970 2.679 1.00 0.13 N ATOM 472 CA HIS A 29 6.405 -7.051 4.121 1.00 0.13 C ATOM 473 C HIS A 29 7.758 -6.794 4.753 1.00 0.12 C ATOM 474 O HIS A 29 7.887 -6.571 5.954 1.00 0.13 O ATOM 475 CB HIS A 29 5.862 -8.413 4.541 1.00 0.14 C ATOM 476 CG HIS A 29 6.625 -9.563 3.959 1.00 0.16 C ATOM 477 ND1 HIS A 29 6.626 -9.855 2.611 1.00 0.22 N ATOM 478 CD2 HIS A 29 7.419 -10.491 4.543 1.00 0.29 C ATOM 479 CE1 HIS A 29 7.385 -10.912 2.391 1.00 0.20 C ATOM 480 NE2 HIS A 29 7.878 -11.317 3.546 1.00 0.24 N ATOM 0 H HIS A 29 6.325 -7.814 2.167 1.00 0.13 H new ATOM 0 HA HIS A 29 5.676 -6.311 4.452 1.00 0.13 H new ATOM 0 HB2 HIS A 29 5.884 -8.485 5.628 1.00 0.14 H new ATOM 0 HB3 HIS A 29 4.818 -8.489 4.238 1.00 0.14 H new ATOM 0 HD2 HIS A 29 7.649 -10.568 5.596 1.00 0.29 H new ATOM 0 HE1 HIS A 29 7.571 -11.368 1.430 1.00 0.20 H new ATOM 0 HE2 HIS A 29 8.500 -12.115 3.677 1.00 0.24 H new ATOM 489 N LYS A 30 8.772 -6.871 3.901 1.00 0.12 N ATOM 490 CA LYS A 30 10.137 -6.591 4.286 1.00 0.12 C ATOM 491 C LYS A 30 10.172 -5.222 4.932 1.00 0.11 C ATOM 492 O LYS A 30 10.793 -5.005 5.973 1.00 0.17 O ATOM 493 CB LYS A 30 11.038 -6.606 3.044 1.00 0.15 C ATOM 494 CG LYS A 30 10.378 -6.137 1.766 1.00 0.28 C ATOM 495 CD LYS A 30 11.322 -6.281 0.589 1.00 0.59 C ATOM 496 CE LYS A 30 10.817 -5.514 -0.612 1.00 0.65 C ATOM 497 NZ LYS A 30 11.816 -5.477 -1.716 1.00 0.72 N ATOM 0 H LYS A 30 8.664 -7.131 2.921 1.00 0.12 H new ATOM 0 HA LYS A 30 10.497 -7.346 4.985 1.00 0.12 H new ATOM 0 HB2 LYS A 30 11.907 -5.977 3.237 1.00 0.15 H new ATOM 0 HB3 LYS A 30 11.406 -7.621 2.893 1.00 0.15 H new ATOM 0 HG2 LYS A 30 9.473 -6.716 1.585 1.00 0.28 H new ATOM 0 HG3 LYS A 30 10.074 -5.095 1.869 1.00 0.28 H new ATOM 0 HD2 LYS A 30 12.312 -5.918 0.866 1.00 0.59 H new ATOM 0 HD3 LYS A 30 11.430 -7.335 0.332 1.00 0.59 H new ATOM 0 HE2 LYS A 30 9.896 -5.972 -0.973 1.00 0.65 H new ATOM 0 HE3 LYS A 30 10.570 -4.495 -0.313 1.00 0.65 H new ATOM 0 HZ1 LYS A 30 11.328 -5.323 -2.621 1.00 0.72 H new ATOM 0 HZ2 LYS A 30 12.489 -4.702 -1.549 1.00 0.72 H new ATOM 0 HZ3 LYS A 30 12.330 -6.380 -1.750 1.00 0.72 H new ATOM 511 N TYR A 31 9.479 -4.312 4.274 1.00 0.10 N ATOM 512 CA TYR A 31 9.345 -2.939 4.725 1.00 0.10 C ATOM 513 C TYR A 31 8.037 -2.753 5.486 1.00 0.11 C ATOM 514 O TYR A 31 7.403 -1.704 5.410 1.00 0.16 O ATOM 515 CB TYR A 31 9.422 -2.000 3.524 1.00 0.12 C ATOM 516 CG TYR A 31 10.729 -2.126 2.769 1.00 0.15 C ATOM 517 CD1 TYR A 31 11.939 -2.258 3.445 1.00 0.21 C ATOM 518 CD2 TYR A 31 10.750 -2.133 1.385 1.00 0.16 C ATOM 519 CE1 TYR A 31 13.130 -2.389 2.756 1.00 0.25 C ATOM 520 CE2 TYR A 31 11.938 -2.268 0.689 1.00 0.20 C ATOM 521 CZ TYR A 31 13.124 -2.394 1.378 1.00 0.23 C ATOM 522 OH TYR A 31 14.307 -2.527 0.689 1.00 0.28 O ATOM 0 H TYR A 31 8.988 -4.507 3.402 1.00 0.10 H new ATOM 0 HA TYR A 31 10.161 -2.701 5.408 1.00 0.10 H new ATOM 0 HB2 TYR A 31 8.594 -2.213 2.848 1.00 0.12 H new ATOM 0 HB3 TYR A 31 9.300 -0.971 3.863 1.00 0.12 H new ATOM 0 HD1 TYR A 31 11.947 -2.258 4.525 1.00 0.21 H new ATOM 0 HD2 TYR A 31 9.824 -2.031 0.839 1.00 0.16 H new ATOM 0 HE1 TYR A 31 14.061 -2.487 3.295 1.00 0.25 H new ATOM 0 HE2 TYR A 31 11.935 -2.275 -0.391 1.00 0.20 H new ATOM 0 HH TYR A 31 14.215 -3.232 0.015 1.00 0.28 H new ATOM 532 N SER A 32 7.637 -3.792 6.216 1.00 0.10 N ATOM 533 CA SER A 32 6.413 -3.744 7.007 1.00 0.12 C ATOM 534 C SER A 32 6.607 -2.848 8.214 1.00 0.13 C ATOM 535 O SER A 32 5.759 -2.026 8.526 1.00 0.16 O ATOM 536 CB SER A 32 6.000 -5.143 7.464 1.00 0.13 C ATOM 537 OG SER A 32 6.991 -5.723 8.292 1.00 1.30 O ATOM 0 H SER A 32 8.143 -4.676 6.275 1.00 0.10 H new ATOM 0 HA SER A 32 5.620 -3.338 6.378 1.00 0.12 H new ATOM 0 HB2 SER A 32 5.056 -5.088 8.006 1.00 0.13 H new ATOM 0 HB3 SER A 32 5.832 -5.778 6.594 1.00 0.13 H new ATOM 0 HG SER A 32 7.642 -6.201 7.737 1.00 1.30 H new ATOM 543 N ASP A 33 7.730 -3.025 8.890 1.00 0.12 N ATOM 544 CA ASP A 33 8.053 -2.237 10.062 1.00 0.14 C ATOM 545 C ASP A 33 8.144 -0.747 9.731 1.00 0.14 C ATOM 546 O ASP A 33 7.712 0.101 10.512 1.00 0.20 O ATOM 547 CB ASP A 33 9.377 -2.726 10.635 1.00 0.17 C ATOM 548 CG ASP A 33 9.308 -4.165 11.110 1.00 1.10 C ATOM 549 OD1 ASP A 33 9.571 -5.072 10.293 1.00 2.21 O ATOM 550 OD2 ASP A 33 8.991 -4.383 12.298 1.00 1.00 O ATOM 0 H ASP A 33 8.438 -3.716 8.642 1.00 0.12 H new ATOM 0 HA ASP A 33 7.256 -2.361 10.795 1.00 0.14 H new ATOM 0 HB2 ASP A 33 10.154 -2.634 9.876 1.00 0.17 H new ATOM 0 HB3 ASP A 33 9.668 -2.085 11.468 1.00 0.17 H new ATOM 555 N ALA A 34 8.706 -0.439 8.567 1.00 0.12 N ATOM 556 CA ALA A 34 8.873 0.945 8.126 1.00 0.13 C ATOM 557 C ALA A 34 7.585 1.539 7.574 1.00 0.12 C ATOM 558 O ALA A 34 7.376 2.750 7.640 1.00 0.15 O ATOM 559 CB ALA A 34 9.974 1.029 7.080 1.00 0.15 C ATOM 0 H ALA A 34 9.056 -1.133 7.907 1.00 0.12 H new ATOM 0 HA ALA A 34 9.150 1.531 9.002 1.00 0.13 H new ATOM 0 HB1 ALA A 34 10.091 2.064 6.757 1.00 0.15 H new ATOM 0 HB2 ALA A 34 10.911 0.674 7.509 1.00 0.15 H new ATOM 0 HB3 ALA A 34 9.710 0.409 6.223 1.00 0.15 H new ATOM 565 N LEU A 35 6.724 0.691 7.033 1.00 0.10 N ATOM 566 CA LEU A 35 5.483 1.155 6.436 1.00 0.09 C ATOM 567 C LEU A 35 4.274 0.941 7.346 1.00 0.09 C ATOM 568 O LEU A 35 3.209 1.509 7.107 1.00 0.12 O ATOM 569 CB LEU A 35 5.274 0.441 5.101 1.00 0.09 C ATOM 570 CG LEU A 35 6.225 0.858 3.964 1.00 0.19 C ATOM 571 CD1 LEU A 35 7.653 1.076 4.461 1.00 0.47 C ATOM 572 CD2 LEU A 35 6.229 -0.204 2.876 1.00 0.14 C ATOM 0 H LEU A 35 6.862 -0.319 6.995 1.00 0.10 H new ATOM 0 HA LEU A 35 5.569 2.231 6.282 1.00 0.09 H new ATOM 0 HB2 LEU A 35 5.380 -0.632 5.263 1.00 0.09 H new ATOM 0 HB3 LEU A 35 4.249 0.614 4.774 1.00 0.09 H new ATOM 0 HG LEU A 35 5.859 1.804 3.566 1.00 0.19 H new ATOM 0 HD11 LEU A 35 8.288 1.369 3.625 1.00 0.47 H new ATOM 0 HD12 LEU A 35 7.660 1.863 5.215 1.00 0.47 H new ATOM 0 HD13 LEU A 35 8.031 0.152 4.898 1.00 0.47 H new ATOM 0 HD21 LEU A 35 6.904 0.098 2.075 1.00 0.14 H new ATOM 0 HD22 LEU A 35 6.565 -1.153 3.295 1.00 0.14 H new ATOM 0 HD23 LEU A 35 5.221 -0.320 2.477 1.00 0.14 H new ATOM 584 N SER A 36 4.436 0.137 8.392 1.00 0.10 N ATOM 585 CA SER A 36 3.334 -0.136 9.310 1.00 0.10 C ATOM 586 C SER A 36 2.935 1.128 10.055 1.00 0.10 C ATOM 587 O SER A 36 1.750 1.419 10.215 1.00 0.11 O ATOM 588 CB SER A 36 3.712 -1.226 10.312 1.00 0.13 C ATOM 589 OG SER A 36 2.636 -1.507 11.192 1.00 0.95 O ATOM 0 H SER A 36 5.311 -0.333 8.625 1.00 0.10 H new ATOM 0 HA SER A 36 2.488 -0.485 8.718 1.00 0.10 H new ATOM 0 HB2 SER A 36 3.995 -2.133 9.778 1.00 0.13 H new ATOM 0 HB3 SER A 36 4.583 -0.910 10.887 1.00 0.13 H new ATOM 0 HG SER A 36 2.903 -2.209 11.822 1.00 0.95 H new ATOM 595 N GLY A 37 3.938 1.874 10.516 1.00 0.12 N ATOM 596 CA GLY A 37 3.675 3.108 11.230 1.00 0.13 C ATOM 597 C GLY A 37 2.797 4.040 10.422 1.00 0.12 C ATOM 598 O GLY A 37 2.180 4.957 10.963 1.00 0.15 O ATOM 0 H GLY A 37 4.926 1.644 10.407 1.00 0.12 H new ATOM 0 HA2 GLY A 37 3.191 2.884 12.181 1.00 0.13 H new ATOM 0 HA3 GLY A 37 4.618 3.604 11.461 1.00 0.13 H new ATOM 602 N THR A 38 2.744 3.793 9.117 1.00 0.08 N ATOM 603 CA THR A 38 1.937 4.593 8.215 1.00 0.08 C ATOM 604 C THR A 38 0.730 3.788 7.725 1.00 0.07 C ATOM 605 O THR A 38 0.893 2.688 7.209 1.00 0.08 O ATOM 606 CB THR A 38 2.762 5.063 7.000 1.00 0.09 C ATOM 607 OG1 THR A 38 3.941 5.741 7.446 1.00 0.11 O ATOM 608 CG2 THR A 38 1.941 5.996 6.126 1.00 0.11 C ATOM 0 H THR A 38 3.257 3.038 8.662 1.00 0.08 H new ATOM 0 HA THR A 38 1.593 5.468 8.766 1.00 0.08 H new ATOM 0 HB THR A 38 3.043 4.188 6.414 1.00 0.09 H new ATOM 0 HG1 THR A 38 4.619 5.082 7.704 1.00 0.11 H new ATOM 0 HG21 THR A 38 2.540 6.317 5.274 1.00 0.11 H new ATOM 0 HG22 THR A 38 1.053 5.473 5.769 1.00 0.11 H new ATOM 0 HG23 THR A 38 1.640 6.868 6.707 1.00 0.11 H new ATOM 616 N PRO A 39 -0.497 4.318 7.893 1.00 0.07 N ATOM 617 CA PRO A 39 -1.730 3.636 7.460 1.00 0.08 C ATOM 618 C PRO A 39 -1.810 3.515 5.950 1.00 0.07 C ATOM 619 O PRO A 39 -0.913 3.973 5.250 1.00 0.07 O ATOM 620 CB PRO A 39 -2.836 4.565 7.957 1.00 0.09 C ATOM 621 CG PRO A 39 -2.180 5.893 8.001 1.00 0.09 C ATOM 622 CD PRO A 39 -0.796 5.620 8.504 1.00 0.09 C ATOM 0 HA PRO A 39 -1.791 2.619 7.846 1.00 0.08 H new ATOM 0 HB2 PRO A 39 -3.694 4.563 7.284 1.00 0.09 H new ATOM 0 HB3 PRO A 39 -3.201 4.265 8.939 1.00 0.09 H new ATOM 0 HG2 PRO A 39 -2.158 6.356 7.015 1.00 0.09 H new ATOM 0 HG3 PRO A 39 -2.714 6.576 8.662 1.00 0.09 H new ATOM 0 HD2 PRO A 39 -0.090 6.389 8.191 1.00 0.09 H new ATOM 0 HD3 PRO A 39 -0.759 5.577 9.593 1.00 0.09 H new ATOM 630 N TRP A 40 -2.877 2.902 5.445 1.00 0.07 N ATOM 631 CA TRP A 40 -3.037 2.768 4.005 1.00 0.07 C ATOM 632 C TRP A 40 -3.379 4.114 3.399 1.00 0.07 C ATOM 633 O TRP A 40 -2.747 4.540 2.441 1.00 0.07 O ATOM 634 CB TRP A 40 -4.110 1.736 3.636 1.00 0.08 C ATOM 635 CG TRP A 40 -5.516 2.146 3.970 1.00 0.09 C ATOM 636 CD1 TRP A 40 -6.137 2.052 5.184 1.00 0.13 C ATOM 637 CD2 TRP A 40 -6.484 2.705 3.068 1.00 0.11 C ATOM 638 NE1 TRP A 40 -7.432 2.509 5.088 1.00 0.16 N ATOM 639 CE2 TRP A 40 -7.664 2.921 3.804 1.00 0.15 C ATOM 640 CE3 TRP A 40 -6.467 3.047 1.711 1.00 0.14 C ATOM 641 CZ2 TRP A 40 -8.812 3.461 3.231 1.00 0.20 C ATOM 642 CZ3 TRP A 40 -7.609 3.583 1.144 1.00 0.19 C ATOM 643 CH2 TRP A 40 -8.766 3.787 1.903 1.00 0.21 C ATOM 0 H TRP A 40 -3.630 2.498 6.002 1.00 0.07 H new ATOM 0 HA TRP A 40 -2.090 2.411 3.600 1.00 0.07 H new ATOM 0 HB2 TRP A 40 -4.049 1.535 2.566 1.00 0.08 H new ATOM 0 HB3 TRP A 40 -3.887 0.801 4.149 1.00 0.08 H new ATOM 0 HD1 TRP A 40 -5.679 1.675 6.086 1.00 0.13 H new ATOM 0 HE1 TRP A 40 -8.109 2.536 5.851 1.00 0.16 H new ATOM 0 HE3 TRP A 40 -5.578 2.895 1.117 1.00 0.14 H new ATOM 0 HZ2 TRP A 40 -9.707 3.617 3.814 1.00 0.20 H new ATOM 0 HZ3 TRP A 40 -7.607 3.849 0.097 1.00 0.19 H new ATOM 0 HH2 TRP A 40 -9.641 4.210 1.431 1.00 0.21 H new ATOM 654 N ILE A 41 -4.359 4.795 3.986 1.00 0.08 N ATOM 655 CA ILE A 41 -4.789 6.096 3.493 1.00 0.09 C ATOM 656 C ILE A 41 -3.594 7.023 3.289 1.00 0.07 C ATOM 657 O ILE A 41 -3.651 7.957 2.490 1.00 0.08 O ATOM 658 CB ILE A 41 -5.794 6.760 4.457 1.00 0.11 C ATOM 659 CG1 ILE A 41 -6.626 7.807 3.716 1.00 0.14 C ATOM 660 CG2 ILE A 41 -5.073 7.391 5.642 1.00 0.12 C ATOM 661 CD1 ILE A 41 -8.076 7.410 3.544 1.00 0.45 C ATOM 0 H ILE A 41 -4.870 4.465 4.805 1.00 0.08 H new ATOM 0 HA ILE A 41 -5.282 5.929 2.535 1.00 0.09 H new ATOM 0 HB ILE A 41 -6.463 5.989 4.840 1.00 0.11 H new ATOM 0 HG12 ILE A 41 -6.577 8.750 4.260 1.00 0.14 H new ATOM 0 HG13 ILE A 41 -6.186 7.982 2.734 1.00 0.14 H new ATOM 0 HG21 ILE A 41 -5.802 7.853 6.308 1.00 0.12 H new ATOM 0 HG22 ILE A 41 -4.522 6.622 6.184 1.00 0.12 H new ATOM 0 HG23 ILE A 41 -4.378 8.150 5.283 1.00 0.12 H new ATOM 0 HD11 ILE A 41 -8.608 8.198 3.011 1.00 0.45 H new ATOM 0 HD12 ILE A 41 -8.134 6.483 2.974 1.00 0.45 H new ATOM 0 HD13 ILE A 41 -8.532 7.263 4.523 1.00 0.45 H new ATOM 673 N GLU A 42 -2.512 6.756 4.021 1.00 0.07 N ATOM 674 CA GLU A 42 -1.301 7.558 3.909 1.00 0.06 C ATOM 675 C GLU A 42 -0.293 6.839 3.025 1.00 0.06 C ATOM 676 O GLU A 42 0.420 7.464 2.238 1.00 0.07 O ATOM 677 CB GLU A 42 -0.705 7.836 5.288 1.00 0.07 C ATOM 678 CG GLU A 42 -1.523 8.812 6.116 1.00 0.09 C ATOM 679 CD GLU A 42 -0.830 9.207 7.405 1.00 1.13 C ATOM 680 OE1 GLU A 42 0.164 9.959 7.337 1.00 1.02 O ATOM 681 OE2 GLU A 42 -1.283 8.767 8.483 1.00 2.15 O ATOM 0 H GLU A 42 -2.453 5.992 4.695 1.00 0.07 H new ATOM 0 HA GLU A 42 -1.553 8.516 3.455 1.00 0.06 H new ATOM 0 HB2 GLU A 42 -0.615 6.896 5.833 1.00 0.07 H new ATOM 0 HB3 GLU A 42 0.303 8.231 5.166 1.00 0.07 H new ATOM 0 HG2 GLU A 42 -1.721 9.707 5.526 1.00 0.09 H new ATOM 0 HG3 GLU A 42 -2.489 8.364 6.350 1.00 0.09 H new ATOM 688 N LEU A 43 -0.246 5.519 3.163 1.00 0.06 N ATOM 689 CA LEU A 43 0.643 4.686 2.364 1.00 0.07 C ATOM 690 C LEU A 43 0.376 4.945 0.894 1.00 0.08 C ATOM 691 O LEU A 43 1.255 5.357 0.139 1.00 0.10 O ATOM 692 CB LEU A 43 0.385 3.213 2.666 1.00 0.08 C ATOM 693 CG LEU A 43 1.581 2.410 3.186 1.00 0.09 C ATOM 694 CD1 LEU A 43 2.725 2.442 2.190 1.00 0.11 C ATOM 695 CD2 LEU A 43 2.039 2.939 4.530 1.00 0.09 C ATOM 0 H LEU A 43 -0.819 4.999 3.828 1.00 0.06 H new ATOM 0 HA LEU A 43 1.678 4.928 2.606 1.00 0.07 H new ATOM 0 HB2 LEU A 43 -0.416 3.149 3.402 1.00 0.08 H new ATOM 0 HB3 LEU A 43 0.021 2.735 1.756 1.00 0.08 H new ATOM 0 HG LEU A 43 1.262 1.375 3.312 1.00 0.09 H new ATOM 0 HD11 LEU A 43 3.564 1.865 2.580 1.00 0.11 H new ATOM 0 HD12 LEU A 43 2.396 2.010 1.245 1.00 0.11 H new ATOM 0 HD13 LEU A 43 3.038 3.474 2.029 1.00 0.11 H new ATOM 0 HD21 LEU A 43 2.889 2.354 4.881 1.00 0.09 H new ATOM 0 HD22 LEU A 43 2.334 3.983 4.429 1.00 0.09 H new ATOM 0 HD23 LEU A 43 1.224 2.861 5.249 1.00 0.09 H new ATOM 707 N ILE A 44 -0.868 4.695 0.513 1.00 0.09 N ATOM 708 CA ILE A 44 -1.332 4.893 -0.846 1.00 0.10 C ATOM 709 C ILE A 44 -1.115 6.333 -1.302 1.00 0.10 C ATOM 710 O ILE A 44 -1.238 6.646 -2.485 1.00 0.15 O ATOM 711 CB ILE A 44 -2.827 4.546 -0.946 1.00 0.13 C ATOM 712 CG1 ILE A 44 -3.664 5.556 -0.153 1.00 0.14 C ATOM 713 CG2 ILE A 44 -3.058 3.141 -0.415 1.00 0.15 C ATOM 714 CD1 ILE A 44 -5.144 5.518 -0.467 1.00 0.20 C ATOM 0 H ILE A 44 -1.587 4.346 1.146 1.00 0.09 H new ATOM 0 HA ILE A 44 -0.755 4.235 -1.495 1.00 0.10 H new ATOM 0 HB ILE A 44 -3.134 4.591 -1.991 1.00 0.13 H new ATOM 0 HG12 ILE A 44 -3.525 5.369 0.912 1.00 0.14 H new ATOM 0 HG13 ILE A 44 -3.287 6.559 -0.353 1.00 0.14 H new ATOM 0 HG21 ILE A 44 -4.117 2.895 -0.486 1.00 0.15 H new ATOM 0 HG22 ILE A 44 -2.480 2.430 -1.005 1.00 0.15 H new ATOM 0 HG23 ILE A 44 -2.742 3.089 0.627 1.00 0.15 H new ATOM 0 HD11 ILE A 44 -5.663 6.263 0.136 1.00 0.20 H new ATOM 0 HD12 ILE A 44 -5.297 5.736 -1.524 1.00 0.20 H new ATOM 0 HD13 ILE A 44 -5.539 4.528 -0.240 1.00 0.20 H new ATOM 726 N TYR A 45 -0.796 7.207 -0.353 1.00 0.08 N ATOM 727 CA TYR A 45 -0.570 8.616 -0.660 1.00 0.08 C ATOM 728 C TYR A 45 0.922 8.952 -0.694 1.00 0.08 C ATOM 729 O TYR A 45 1.311 10.009 -1.189 1.00 0.10 O ATOM 730 CB TYR A 45 -1.290 9.504 0.359 1.00 0.10 C ATOM 731 CG TYR A 45 -2.749 9.779 0.036 1.00 0.11 C ATOM 732 CD1 TYR A 45 -3.475 8.956 -0.824 1.00 0.10 C ATOM 733 CD2 TYR A 45 -3.404 10.864 0.606 1.00 0.15 C ATOM 734 CE1 TYR A 45 -4.806 9.211 -1.103 1.00 0.13 C ATOM 735 CE2 TYR A 45 -4.733 11.124 0.330 1.00 0.18 C ATOM 736 CZ TYR A 45 -5.428 10.296 -0.524 1.00 0.16 C ATOM 737 OH TYR A 45 -6.752 10.552 -0.798 1.00 0.19 O ATOM 0 H TYR A 45 -0.688 6.966 0.632 1.00 0.08 H new ATOM 0 HA TYR A 45 -0.977 8.809 -1.652 1.00 0.08 H new ATOM 0 HB2 TYR A 45 -1.231 9.031 1.339 1.00 0.10 H new ATOM 0 HB3 TYR A 45 -0.762 10.455 0.431 1.00 0.10 H new ATOM 0 HD1 TYR A 45 -2.990 8.105 -1.280 1.00 0.10 H new ATOM 0 HD2 TYR A 45 -2.865 11.516 1.277 1.00 0.15 H new ATOM 0 HE1 TYR A 45 -5.355 8.563 -1.771 1.00 0.13 H new ATOM 0 HE2 TYR A 45 -5.225 11.973 0.782 1.00 0.18 H new ATOM 0 HH TYR A 45 -7.038 11.352 -0.310 1.00 0.19 H new ATOM 747 N LEU A 46 1.754 8.054 -0.165 1.00 0.08 N ATOM 748 CA LEU A 46 3.198 8.270 -0.158 1.00 0.09 C ATOM 749 C LEU A 46 3.740 8.325 -1.577 1.00 0.09 C ATOM 750 O LEU A 46 2.991 8.451 -2.546 1.00 0.11 O ATOM 751 CB LEU A 46 3.931 7.150 0.585 1.00 0.10 C ATOM 752 CG LEU A 46 3.448 6.836 2.000 1.00 0.11 C ATOM 753 CD1 LEU A 46 4.405 5.862 2.672 1.00 0.14 C ATOM 754 CD2 LEU A 46 3.319 8.106 2.826 1.00 0.12 C ATOM 0 H LEU A 46 1.454 7.177 0.261 1.00 0.08 H new ATOM 0 HA LEU A 46 3.371 9.218 0.351 1.00 0.09 H new ATOM 0 HB2 LEU A 46 3.855 6.240 -0.010 1.00 0.10 H new ATOM 0 HB3 LEU A 46 4.988 7.410 0.636 1.00 0.10 H new ATOM 0 HG LEU A 46 2.462 6.376 1.933 1.00 0.11 H new ATOM 0 HD11 LEU A 46 4.053 5.644 3.680 1.00 0.14 H new ATOM 0 HD12 LEU A 46 4.449 4.938 2.095 1.00 0.14 H new ATOM 0 HD13 LEU A 46 5.399 6.306 2.723 1.00 0.14 H new ATOM 0 HD21 LEU A 46 2.974 7.854 3.829 1.00 0.12 H new ATOM 0 HD22 LEU A 46 4.289 8.599 2.889 1.00 0.12 H new ATOM 0 HD23 LEU A 46 2.602 8.776 2.353 1.00 0.12 H new ATOM 766 N ASP A 47 5.055 8.216 -1.679 1.00 0.09 N ATOM 767 CA ASP A 47 5.733 8.230 -2.963 1.00 0.10 C ATOM 768 C ASP A 47 7.060 7.494 -2.858 1.00 0.10 C ATOM 769 O ASP A 47 7.452 7.057 -1.776 1.00 0.16 O ATOM 770 CB ASP A 47 5.972 9.668 -3.433 1.00 0.11 C ATOM 771 CG ASP A 47 4.682 10.403 -3.739 1.00 0.73 C ATOM 772 OD1 ASP A 47 4.139 10.214 -4.848 1.00 1.31 O ATOM 773 OD2 ASP A 47 4.214 11.167 -2.869 1.00 0.96 O ATOM 0 H ASP A 47 5.679 8.116 -0.878 1.00 0.09 H new ATOM 0 HA ASP A 47 5.099 7.727 -3.693 1.00 0.10 H new ATOM 0 HB2 ASP A 47 6.522 10.211 -2.664 1.00 0.11 H new ATOM 0 HB3 ASP A 47 6.599 9.656 -4.324 1.00 0.11 H new ATOM 778 N ASP A 48 7.740 7.356 -3.985 1.00 0.12 N ATOM 779 CA ASP A 48 9.035 6.687 -4.026 1.00 0.14 C ATOM 780 C ASP A 48 9.939 7.216 -2.916 1.00 0.14 C ATOM 781 O ASP A 48 10.469 6.452 -2.111 1.00 0.21 O ATOM 782 CB ASP A 48 9.691 6.917 -5.392 1.00 0.17 C ATOM 783 CG ASP A 48 11.205 6.855 -5.336 1.00 1.06 C ATOM 784 OD1 ASP A 48 11.832 7.895 -5.043 1.00 1.73 O ATOM 785 OD2 ASP A 48 11.764 5.769 -5.590 1.00 1.65 O ATOM 0 H ASP A 48 7.416 7.700 -4.889 1.00 0.12 H new ATOM 0 HA ASP A 48 8.887 5.618 -3.874 1.00 0.14 H new ATOM 0 HB2 ASP A 48 9.327 6.168 -6.095 1.00 0.17 H new ATOM 0 HB3 ASP A 48 9.386 7.890 -5.777 1.00 0.17 H new ATOM 790 N GLU A 49 10.090 8.531 -2.882 1.00 0.14 N ATOM 791 CA GLU A 49 10.925 9.192 -1.876 1.00 0.16 C ATOM 792 C GLU A 49 10.529 8.801 -0.454 1.00 0.13 C ATOM 793 O GLU A 49 11.328 8.213 0.273 1.00 0.19 O ATOM 794 CB GLU A 49 10.842 10.711 -2.019 1.00 0.23 C ATOM 795 CG GLU A 49 11.629 11.469 -0.957 1.00 0.37 C ATOM 796 CD GLU A 49 11.443 12.971 -1.057 1.00 0.46 C ATOM 797 OE1 GLU A 49 10.443 13.483 -0.514 1.00 0.52 O ATOM 798 OE2 GLU A 49 12.299 13.634 -1.680 1.00 0.51 O ATOM 0 H GLU A 49 9.645 9.170 -3.541 1.00 0.14 H new ATOM 0 HA GLU A 49 11.948 8.860 -2.051 1.00 0.16 H new ATOM 0 HB2 GLU A 49 11.211 10.995 -3.004 1.00 0.23 H new ATOM 0 HB3 GLU A 49 9.796 11.015 -1.970 1.00 0.23 H new ATOM 0 HG2 GLU A 49 11.316 11.133 0.031 1.00 0.37 H new ATOM 0 HG3 GLU A 49 12.688 11.230 -1.055 1.00 0.37 H new ATOM 805 N THR A 50 9.297 9.130 -0.066 1.00 0.11 N ATOM 806 CA THR A 50 8.811 8.838 1.279 1.00 0.10 C ATOM 807 C THR A 50 9.115 7.405 1.682 1.00 0.09 C ATOM 808 O THR A 50 9.616 7.154 2.776 1.00 0.13 O ATOM 809 CB THR A 50 7.298 9.078 1.405 1.00 0.12 C ATOM 810 OG1 THR A 50 6.986 10.440 1.088 1.00 0.19 O ATOM 811 CG2 THR A 50 6.825 8.757 2.816 1.00 0.14 C ATOM 0 H THR A 50 8.618 9.599 -0.666 1.00 0.11 H new ATOM 0 HA THR A 50 9.336 9.521 1.947 1.00 0.10 H new ATOM 0 HB THR A 50 6.785 8.421 0.703 1.00 0.12 H new ATOM 0 HG1 THR A 50 6.020 10.582 1.170 1.00 0.19 H new ATOM 0 HG21 THR A 50 5.752 8.932 2.889 1.00 0.14 H new ATOM 0 HG22 THR A 50 7.038 7.712 3.042 1.00 0.14 H new ATOM 0 HG23 THR A 50 7.346 9.396 3.529 1.00 0.14 H new ATOM 819 N LEU A 51 8.810 6.471 0.792 1.00 0.09 N ATOM 820 CA LEU A 51 9.050 5.061 1.053 1.00 0.11 C ATOM 821 C LEU A 51 10.487 4.836 1.502 1.00 0.11 C ATOM 822 O LEU A 51 10.750 4.038 2.400 1.00 0.14 O ATOM 823 CB LEU A 51 8.740 4.247 -0.198 1.00 0.12 C ATOM 824 CG LEU A 51 7.251 3.996 -0.433 1.00 0.16 C ATOM 825 CD1 LEU A 51 7.003 3.544 -1.860 1.00 0.89 C ATOM 826 CD2 LEU A 51 6.728 2.962 0.552 1.00 0.74 C ATOM 0 H LEU A 51 8.395 6.666 -0.119 1.00 0.09 H new ATOM 0 HA LEU A 51 8.393 4.732 1.858 1.00 0.11 H new ATOM 0 HB2 LEU A 51 9.150 4.765 -1.065 1.00 0.12 H new ATOM 0 HB3 LEU A 51 9.252 3.287 -0.129 1.00 0.12 H new ATOM 0 HG LEU A 51 6.714 4.931 -0.273 1.00 0.16 H new ATOM 0 HD11 LEU A 51 5.937 3.371 -2.007 1.00 0.89 H new ATOM 0 HD12 LEU A 51 7.344 4.316 -2.550 1.00 0.89 H new ATOM 0 HD13 LEU A 51 7.550 2.621 -2.049 1.00 0.89 H new ATOM 0 HD21 LEU A 51 5.666 2.793 0.373 1.00 0.74 H new ATOM 0 HD22 LEU A 51 7.271 2.026 0.420 1.00 0.74 H new ATOM 0 HD23 LEU A 51 6.871 3.324 1.570 1.00 0.74 H new ATOM 838 N GLU A 52 11.413 5.551 0.875 1.00 0.10 N ATOM 839 CA GLU A 52 12.822 5.451 1.230 1.00 0.13 C ATOM 840 C GLU A 52 13.023 6.004 2.626 1.00 0.13 C ATOM 841 O GLU A 52 13.776 5.461 3.435 1.00 0.16 O ATOM 842 CB GLU A 52 13.671 6.247 0.245 1.00 0.16 C ATOM 843 CG GLU A 52 15.125 5.807 0.198 1.00 0.33 C ATOM 844 CD GLU A 52 15.973 6.685 -0.700 1.00 0.44 C ATOM 845 OE1 GLU A 52 16.411 7.760 -0.238 1.00 0.52 O ATOM 846 OE2 GLU A 52 16.201 6.298 -1.866 1.00 0.52 O ATOM 0 H GLU A 52 11.213 6.206 0.119 1.00 0.10 H new ATOM 0 HA GLU A 52 13.126 4.405 1.195 1.00 0.13 H new ATOM 0 HB2 GLU A 52 13.240 6.153 -0.752 1.00 0.16 H new ATOM 0 HB3 GLU A 52 13.628 7.303 0.513 1.00 0.16 H new ATOM 0 HG2 GLU A 52 15.537 5.821 1.207 1.00 0.33 H new ATOM 0 HG3 GLU A 52 15.177 4.777 -0.154 1.00 0.33 H new ATOM 853 N LYS A 53 12.329 7.099 2.886 1.00 0.13 N ATOM 854 CA LYS A 53 12.387 7.774 4.175 1.00 0.16 C ATOM 855 C LYS A 53 11.980 6.831 5.311 1.00 0.18 C ATOM 856 O LYS A 53 12.497 6.933 6.423 1.00 0.25 O ATOM 857 CB LYS A 53 11.493 9.011 4.148 1.00 0.17 C ATOM 858 CG LYS A 53 11.699 9.858 2.904 1.00 0.42 C ATOM 859 CD LYS A 53 12.930 10.738 3.024 1.00 0.60 C ATOM 860 CE LYS A 53 12.660 11.916 3.935 1.00 1.54 C ATOM 861 NZ LYS A 53 12.187 13.109 3.180 1.00 2.19 N ATOM 0 H LYS A 53 11.709 7.546 2.211 1.00 0.13 H new ATOM 0 HA LYS A 53 13.415 8.084 4.361 1.00 0.16 H new ATOM 0 HB2 LYS A 53 10.449 8.701 4.202 1.00 0.17 H new ATOM 0 HB3 LYS A 53 11.692 9.617 5.032 1.00 0.17 H new ATOM 0 HG2 LYS A 53 11.798 9.209 2.034 1.00 0.42 H new ATOM 0 HG3 LYS A 53 10.820 10.481 2.738 1.00 0.42 H new ATOM 0 HD2 LYS A 53 13.764 10.154 3.414 1.00 0.60 H new ATOM 0 HD3 LYS A 53 13.225 11.095 2.037 1.00 0.60 H new ATOM 0 HE2 LYS A 53 11.912 11.636 4.677 1.00 1.54 H new ATOM 0 HE3 LYS A 53 13.570 12.169 4.480 1.00 1.54 H new ATOM 0 HZ1 LYS A 53 12.014 13.892 3.842 1.00 2.19 H new ATOM 0 HZ2 LYS A 53 12.911 13.392 2.490 1.00 2.19 H new ATOM 0 HZ3 LYS A 53 11.305 12.877 2.681 1.00 2.19 H new ATOM 875 N LYS A 54 11.053 5.913 5.025 1.00 0.13 N ATOM 876 CA LYS A 54 10.599 4.949 6.023 1.00 0.16 C ATOM 877 C LYS A 54 11.640 3.859 6.194 1.00 0.17 C ATOM 878 O LYS A 54 12.200 3.668 7.275 1.00 0.21 O ATOM 879 CB LYS A 54 9.275 4.311 5.595 1.00 0.16 C ATOM 880 CG LYS A 54 8.374 5.256 4.819 1.00 0.25 C ATOM 881 CD LYS A 54 7.977 6.450 5.664 1.00 0.39 C ATOM 882 CE LYS A 54 6.474 6.516 5.840 1.00 0.30 C ATOM 883 NZ LYS A 54 6.086 7.383 6.987 1.00 1.20 N ATOM 0 H LYS A 54 10.605 5.819 4.113 1.00 0.13 H new ATOM 0 HA LYS A 54 10.452 5.476 6.966 1.00 0.16 H new ATOM 0 HB2 LYS A 54 9.484 3.434 4.982 1.00 0.16 H new ATOM 0 HB3 LYS A 54 8.745 3.961 6.481 1.00 0.16 H new ATOM 0 HG2 LYS A 54 8.888 5.597 3.921 1.00 0.25 H new ATOM 0 HG3 LYS A 54 7.480 4.725 4.492 1.00 0.25 H new ATOM 0 HD2 LYS A 54 8.458 6.385 6.640 1.00 0.39 H new ATOM 0 HD3 LYS A 54 8.332 7.367 5.194 1.00 0.39 H new ATOM 0 HE2 LYS A 54 6.018 6.897 4.926 1.00 0.30 H new ATOM 0 HE3 LYS A 54 6.082 5.511 5.996 1.00 0.30 H new ATOM 0 HZ1 LYS A 54 5.222 7.009 7.428 1.00 1.20 H new ATOM 0 HZ2 LYS A 54 6.855 7.397 7.687 1.00 1.20 H new ATOM 0 HZ3 LYS A 54 5.910 8.350 6.647 1.00 1.20 H new ATOM 897 N GLY A 55 11.887 3.148 5.103 1.00 0.19 N ATOM 898 CA GLY A 55 12.856 2.076 5.108 1.00 0.23 C ATOM 899 C GLY A 55 13.000 1.427 3.744 1.00 0.25 C ATOM 900 O GLY A 55 13.958 0.696 3.498 1.00 0.38 O ATOM 0 H GLY A 55 11.426 3.299 4.206 1.00 0.19 H new ATOM 0 HA2 GLY A 55 13.823 2.464 5.428 1.00 0.23 H new ATOM 0 HA3 GLY A 55 12.558 1.323 5.837 1.00 0.23 H new ATOM 904 N VAL A 56 12.036 1.687 2.862 1.00 0.17 N ATOM 905 CA VAL A 56 12.061 1.143 1.511 1.00 0.21 C ATOM 906 C VAL A 56 13.230 1.734 0.727 1.00 0.40 C ATOM 907 O VAL A 56 13.064 2.666 -0.060 1.00 0.89 O ATOM 908 CB VAL A 56 10.740 1.437 0.768 1.00 0.18 C ATOM 909 CG1 VAL A 56 10.648 0.634 -0.519 1.00 0.28 C ATOM 910 CG2 VAL A 56 9.539 1.148 1.659 1.00 0.17 C ATOM 0 H VAL A 56 11.226 2.274 3.063 1.00 0.17 H new ATOM 0 HA VAL A 56 12.183 0.063 1.588 1.00 0.21 H new ATOM 0 HB VAL A 56 10.732 2.497 0.512 1.00 0.18 H new ATOM 0 HG11 VAL A 56 9.708 0.860 -1.022 1.00 0.28 H new ATOM 0 HG12 VAL A 56 11.481 0.896 -1.171 1.00 0.28 H new ATOM 0 HG13 VAL A 56 10.689 -0.430 -0.287 1.00 0.28 H new ATOM 0 HG21 VAL A 56 8.621 1.363 1.113 1.00 0.17 H new ATOM 0 HG22 VAL A 56 9.549 0.099 1.954 1.00 0.17 H new ATOM 0 HG23 VAL A 56 9.587 1.775 2.549 1.00 0.17 H new ATOM 920 N LEU A 57 14.411 1.171 0.950 1.00 0.21 N ATOM 921 CA LEU A 57 15.634 1.639 0.306 1.00 0.26 C ATOM 922 C LEU A 57 15.871 0.945 -1.031 1.00 0.36 C ATOM 923 O LEU A 57 17.001 0.882 -1.516 1.00 0.83 O ATOM 924 CB LEU A 57 16.821 1.393 1.239 1.00 0.34 C ATOM 925 CG LEU A 57 17.089 2.482 2.291 1.00 0.37 C ATOM 926 CD1 LEU A 57 15.807 3.203 2.684 1.00 0.24 C ATOM 927 CD2 LEU A 57 17.743 1.871 3.519 1.00 0.55 C ATOM 0 H LEU A 57 14.549 0.380 1.579 1.00 0.21 H new ATOM 0 HA LEU A 57 15.528 2.705 0.107 1.00 0.26 H new ATOM 0 HB2 LEU A 57 16.661 0.447 1.757 1.00 0.34 H new ATOM 0 HB3 LEU A 57 17.718 1.275 0.630 1.00 0.34 H new ATOM 0 HG LEU A 57 17.764 3.216 1.851 1.00 0.37 H new ATOM 0 HD11 LEU A 57 16.032 3.966 3.429 1.00 0.24 H new ATOM 0 HD12 LEU A 57 15.370 3.674 1.803 1.00 0.24 H new ATOM 0 HD13 LEU A 57 15.100 2.486 3.101 1.00 0.24 H new ATOM 0 HD21 LEU A 57 17.929 2.650 4.258 1.00 0.55 H new ATOM 0 HD22 LEU A 57 17.082 1.116 3.946 1.00 0.55 H new ATOM 0 HD23 LEU A 57 18.688 1.407 3.235 1.00 0.55 H new ATOM 939 N ALA A 58 14.804 0.426 -1.622 1.00 0.21 N ATOM 940 CA ALA A 58 14.902 -0.261 -2.902 1.00 0.17 C ATOM 941 C ALA A 58 14.176 0.495 -3.992 1.00 0.13 C ATOM 942 O ALA A 58 12.948 0.545 -4.007 1.00 0.12 O ATOM 943 CB ALA A 58 14.331 -1.661 -2.791 1.00 0.18 C ATOM 0 H ALA A 58 13.861 0.468 -1.236 1.00 0.21 H new ATOM 0 HA ALA A 58 15.958 -0.316 -3.167 1.00 0.17 H new ATOM 0 HB1 ALA A 58 14.410 -2.164 -3.755 1.00 0.18 H new ATOM 0 HB2 ALA A 58 14.888 -2.223 -2.042 1.00 0.18 H new ATOM 0 HB3 ALA A 58 13.283 -1.604 -2.497 1.00 0.18 H new ATOM 949 N LEU A 59 14.939 1.086 -4.903 1.00 0.14 N ATOM 950 CA LEU A 59 14.352 1.807 -6.018 1.00 0.13 C ATOM 951 C LEU A 59 13.332 0.911 -6.691 1.00 0.12 C ATOM 952 O LEU A 59 12.361 1.375 -7.284 1.00 0.14 O ATOM 953 CB LEU A 59 15.432 2.225 -7.020 1.00 0.15 C ATOM 954 CG LEU A 59 16.081 3.582 -6.754 1.00 0.19 C ATOM 955 CD1 LEU A 59 15.067 4.692 -6.956 1.00 0.24 C ATOM 956 CD2 LEU A 59 16.664 3.637 -5.349 1.00 0.27 C ATOM 0 H LEU A 59 15.959 1.079 -4.890 1.00 0.14 H new ATOM 0 HA LEU A 59 13.867 2.712 -5.651 1.00 0.13 H new ATOM 0 HB2 LEU A 59 16.212 1.463 -7.027 1.00 0.15 H new ATOM 0 HB3 LEU A 59 14.992 2.241 -8.017 1.00 0.15 H new ATOM 0 HG LEU A 59 16.898 3.721 -7.462 1.00 0.19 H new ATOM 0 HD11 LEU A 59 15.539 5.655 -6.764 1.00 0.24 H new ATOM 0 HD12 LEU A 59 14.699 4.666 -7.982 1.00 0.24 H new ATOM 0 HD13 LEU A 59 14.233 4.553 -6.268 1.00 0.24 H new ATOM 0 HD21 LEU A 59 17.121 4.613 -5.183 1.00 0.27 H new ATOM 0 HD22 LEU A 59 15.870 3.479 -4.619 1.00 0.27 H new ATOM 0 HD23 LEU A 59 17.419 2.859 -5.238 1.00 0.27 H new ATOM 968 N GLY A 60 13.582 -0.390 -6.592 1.00 0.12 N ATOM 969 CA GLY A 60 12.689 -1.366 -7.164 1.00 0.12 C ATOM 970 C GLY A 60 11.425 -1.547 -6.346 1.00 0.11 C ATOM 971 O GLY A 60 10.338 -1.660 -6.900 1.00 0.14 O ATOM 0 H GLY A 60 14.396 -0.783 -6.120 1.00 0.12 H new ATOM 0 HA2 GLY A 60 12.422 -1.061 -8.176 1.00 0.12 H new ATOM 0 HA3 GLY A 60 13.205 -2.322 -7.245 1.00 0.12 H new ATOM 975 N ALA A 61 11.575 -1.580 -5.022 1.00 0.10 N ATOM 976 CA ALA A 61 10.448 -1.771 -4.116 1.00 0.10 C ATOM 977 C ALA A 61 9.558 -0.535 -3.990 1.00 0.11 C ATOM 978 O ALA A 61 8.343 -0.624 -4.166 1.00 0.16 O ATOM 979 CB ALA A 61 10.952 -2.187 -2.743 1.00 0.13 C ATOM 0 H ALA A 61 12.474 -1.476 -4.552 1.00 0.10 H new ATOM 0 HA ALA A 61 9.831 -2.559 -4.547 1.00 0.10 H new ATOM 0 HB1 ALA A 61 10.105 -2.328 -2.072 1.00 0.13 H new ATOM 0 HB2 ALA A 61 11.508 -3.121 -2.827 1.00 0.13 H new ATOM 0 HB3 ALA A 61 11.605 -1.411 -2.345 1.00 0.13 H new ATOM 985 N ARG A 62 10.155 0.616 -3.681 1.00 0.14 N ATOM 986 CA ARG A 62 9.383 1.839 -3.495 1.00 0.16 C ATOM 987 C ARG A 62 8.698 2.294 -4.767 1.00 0.11 C ATOM 988 O ARG A 62 7.473 2.404 -4.810 1.00 0.11 O ATOM 989 CB ARG A 62 10.256 2.959 -2.928 1.00 0.23 C ATOM 990 CG ARG A 62 11.470 3.326 -3.761 1.00 0.32 C ATOM 991 CD ARG A 62 12.432 4.183 -2.950 1.00 0.23 C ATOM 992 NE ARG A 62 13.495 4.767 -3.767 1.00 0.21 N ATOM 993 CZ ARG A 62 13.890 6.034 -3.662 1.00 0.46 C ATOM 994 NH1 ARG A 62 13.278 6.856 -2.819 1.00 0.81 N ATOM 995 NH2 ARG A 62 14.891 6.485 -4.403 1.00 0.48 N ATOM 0 H ARG A 62 11.161 0.725 -3.556 1.00 0.14 H new ATOM 0 HA ARG A 62 8.600 1.604 -2.774 1.00 0.16 H new ATOM 0 HB2 ARG A 62 9.639 3.849 -2.804 1.00 0.23 H new ATOM 0 HB3 ARG A 62 10.594 2.665 -1.934 1.00 0.23 H new ATOM 0 HG2 ARG A 62 11.975 2.421 -4.097 1.00 0.32 H new ATOM 0 HG3 ARG A 62 11.156 3.866 -4.654 1.00 0.32 H new ATOM 0 HD2 ARG A 62 11.875 4.982 -2.460 1.00 0.23 H new ATOM 0 HD3 ARG A 62 12.877 3.575 -2.162 1.00 0.23 H new ATOM 0 HE ARG A 62 13.958 4.172 -4.454 1.00 0.21 H new ATOM 0 HH11 ARG A 62 12.503 6.518 -2.249 1.00 0.81 H new ATOM 0 HH12 ARG A 62 13.583 7.826 -2.741 1.00 0.81 H new ATOM 0 HH21 ARG A 62 15.363 5.861 -5.057 1.00 0.48 H new ATOM 0 HH22 ARG A 62 15.190 7.457 -4.319 1.00 0.48 H new ATOM 1009 N ARG A 63 9.483 2.578 -5.792 1.00 0.12 N ATOM 1010 CA ARG A 63 8.926 3.013 -7.063 1.00 0.13 C ATOM 1011 C ARG A 63 7.813 2.057 -7.487 1.00 0.12 C ATOM 1012 O ARG A 63 6.914 2.424 -8.244 1.00 0.14 O ATOM 1013 CB ARG A 63 10.002 3.061 -8.147 1.00 0.16 C ATOM 1014 CG ARG A 63 11.107 4.066 -7.872 1.00 0.79 C ATOM 1015 CD ARG A 63 12.132 4.086 -8.994 1.00 0.75 C ATOM 1016 NE ARG A 63 11.549 4.520 -10.262 1.00 1.33 N ATOM 1017 CZ ARG A 63 12.046 4.197 -11.452 1.00 1.56 C ATOM 1018 NH1 ARG A 63 13.124 3.427 -11.538 1.00 1.33 N ATOM 1019 NH2 ARG A 63 11.464 4.640 -12.557 1.00 2.47 N ATOM 0 H ARG A 63 10.501 2.516 -5.771 1.00 0.12 H new ATOM 0 HA ARG A 63 8.523 4.018 -6.936 1.00 0.13 H new ATOM 0 HB2 ARG A 63 10.443 2.070 -8.251 1.00 0.16 H new ATOM 0 HB3 ARG A 63 9.533 3.303 -9.101 1.00 0.16 H new ATOM 0 HG2 ARG A 63 10.675 5.060 -7.754 1.00 0.79 H new ATOM 0 HG3 ARG A 63 11.600 3.819 -6.932 1.00 0.79 H new ATOM 0 HD2 ARG A 63 12.951 4.753 -8.725 1.00 0.75 H new ATOM 0 HD3 ARG A 63 12.558 3.090 -9.113 1.00 0.75 H new ATOM 0 HE ARG A 63 10.713 5.104 -10.232 1.00 1.33 H new ATOM 0 HH11 ARG A 63 13.573 3.082 -10.690 1.00 1.33 H new ATOM 0 HH12 ARG A 63 13.503 3.181 -12.452 1.00 1.33 H new ATOM 0 HH21 ARG A 63 10.634 5.229 -12.495 1.00 2.47 H new ATOM 0 HH22 ARG A 63 11.846 4.392 -13.469 1.00 2.47 H new ATOM 1033 N LYS A 64 7.891 0.822 -6.983 1.00 0.10 N ATOM 1034 CA LYS A 64 6.898 -0.203 -7.289 1.00 0.13 C ATOM 1035 C LYS A 64 5.644 -0.017 -6.448 1.00 0.11 C ATOM 1036 O LYS A 64 4.532 -0.155 -6.948 1.00 0.12 O ATOM 1037 CB LYS A 64 7.484 -1.590 -7.039 1.00 0.18 C ATOM 1038 CG LYS A 64 6.567 -2.733 -7.445 1.00 0.76 C ATOM 1039 CD LYS A 64 6.326 -2.745 -8.947 1.00 1.33 C ATOM 1040 CE LYS A 64 5.697 -4.052 -9.403 1.00 1.80 C ATOM 1041 NZ LYS A 64 4.401 -4.313 -8.723 1.00 2.52 N ATOM 0 H LYS A 64 8.636 0.510 -6.359 1.00 0.10 H new ATOM 0 HA LYS A 64 6.626 -0.107 -8.340 1.00 0.13 H new ATOM 0 HB2 LYS A 64 8.423 -1.680 -7.585 1.00 0.18 H new ATOM 0 HB3 LYS A 64 7.721 -1.687 -5.980 1.00 0.18 H new ATOM 0 HG2 LYS A 64 7.008 -3.682 -7.138 1.00 0.76 H new ATOM 0 HG3 LYS A 64 5.615 -2.640 -6.923 1.00 0.76 H new ATOM 0 HD2 LYS A 64 5.676 -1.913 -9.218 1.00 1.33 H new ATOM 0 HD3 LYS A 64 7.271 -2.594 -9.469 1.00 1.33 H new ATOM 0 HE2 LYS A 64 5.541 -4.023 -10.481 1.00 1.80 H new ATOM 0 HE3 LYS A 64 6.384 -4.874 -9.202 1.00 1.80 H new ATOM 0 HZ1 LYS A 64 3.858 -5.012 -9.268 1.00 2.52 H new ATOM 0 HZ2 LYS A 64 4.579 -4.681 -7.767 1.00 2.52 H new ATOM 0 HZ3 LYS A 64 3.859 -3.428 -8.658 1.00 2.52 H new ATOM 1055 N LEU A 65 5.831 0.277 -5.165 1.00 0.11 N ATOM 1056 CA LEU A 65 4.710 0.493 -4.264 1.00 0.11 C ATOM 1057 C LEU A 65 3.791 1.576 -4.802 1.00 0.08 C ATOM 1058 O LEU A 65 2.606 1.618 -4.477 1.00 0.09 O ATOM 1059 CB LEU A 65 5.209 0.869 -2.873 1.00 0.13 C ATOM 1060 CG LEU A 65 5.340 -0.307 -1.913 1.00 0.18 C ATOM 1061 CD1 LEU A 65 6.683 -0.277 -1.206 1.00 0.22 C ATOM 1062 CD2 LEU A 65 4.199 -0.302 -0.909 1.00 0.23 C ATOM 0 H LEU A 65 6.748 0.370 -4.729 1.00 0.11 H new ATOM 0 HA LEU A 65 4.145 -0.437 -4.193 1.00 0.11 H new ATOM 0 HB2 LEU A 65 6.180 1.355 -2.968 1.00 0.13 H new ATOM 0 HB3 LEU A 65 4.527 1.601 -2.441 1.00 0.13 H new ATOM 0 HG LEU A 65 5.284 -1.230 -2.490 1.00 0.18 H new ATOM 0 HD11 LEU A 65 6.755 -1.125 -0.526 1.00 0.22 H new ATOM 0 HD12 LEU A 65 7.484 -0.334 -1.943 1.00 0.22 H new ATOM 0 HD13 LEU A 65 6.776 0.650 -0.641 1.00 0.22 H new ATOM 0 HD21 LEU A 65 4.307 -1.148 -0.231 1.00 0.23 H new ATOM 0 HD22 LEU A 65 4.221 0.626 -0.338 1.00 0.23 H new ATOM 0 HD23 LEU A 65 3.249 -0.380 -1.438 1.00 0.23 H new ATOM 1074 N LEU A 66 4.350 2.454 -5.628 1.00 0.08 N ATOM 1075 CA LEU A 66 3.580 3.535 -6.225 1.00 0.09 C ATOM 1076 C LEU A 66 2.457 2.965 -7.080 1.00 0.11 C ATOM 1077 O LEU A 66 1.464 3.640 -7.352 1.00 0.14 O ATOM 1078 CB LEU A 66 4.489 4.442 -7.055 1.00 0.11 C ATOM 1079 CG LEU A 66 5.212 5.527 -6.254 1.00 0.12 C ATOM 1080 CD1 LEU A 66 6.592 5.793 -6.832 1.00 0.15 C ATOM 1081 CD2 LEU A 66 4.389 6.805 -6.226 1.00 0.14 C ATOM 0 H LEU A 66 5.333 2.437 -5.898 1.00 0.08 H new ATOM 0 HA LEU A 66 3.138 4.135 -5.430 1.00 0.09 H new ATOM 0 HB2 LEU A 66 5.233 3.825 -7.559 1.00 0.11 H new ATOM 0 HB3 LEU A 66 3.892 4.920 -7.832 1.00 0.11 H new ATOM 0 HG LEU A 66 5.334 5.173 -5.230 1.00 0.12 H new ATOM 0 HD11 LEU A 66 7.088 6.568 -6.247 1.00 0.15 H new ATOM 0 HD12 LEU A 66 7.183 4.878 -6.798 1.00 0.15 H new ATOM 0 HD13 LEU A 66 6.496 6.125 -7.866 1.00 0.15 H new ATOM 0 HD21 LEU A 66 4.918 7.566 -5.652 1.00 0.14 H new ATOM 0 HD22 LEU A 66 4.235 7.161 -7.245 1.00 0.14 H new ATOM 0 HD23 LEU A 66 3.423 6.606 -5.761 1.00 0.14 H new ATOM 1093 N LYS A 67 2.625 1.714 -7.503 1.00 0.12 N ATOM 1094 CA LYS A 67 1.614 1.037 -8.300 1.00 0.16 C ATOM 1095 C LYS A 67 0.461 0.619 -7.411 1.00 0.14 C ATOM 1096 O LYS A 67 -0.705 0.702 -7.795 1.00 0.16 O ATOM 1097 CB LYS A 67 2.191 -0.181 -8.997 1.00 0.22 C ATOM 1098 CG LYS A 67 2.970 0.205 -10.235 1.00 0.84 C ATOM 1099 CD LYS A 67 2.571 -0.618 -11.448 1.00 1.26 C ATOM 1100 CE LYS A 67 1.064 -0.647 -11.650 1.00 1.56 C ATOM 1101 NZ LYS A 67 0.505 0.713 -11.883 1.00 2.20 N ATOM 0 H LYS A 67 3.453 1.152 -7.305 1.00 0.12 H new ATOM 0 HA LYS A 67 1.259 1.730 -9.063 1.00 0.16 H new ATOM 0 HB2 LYS A 67 2.843 -0.720 -8.309 1.00 0.22 H new ATOM 0 HB3 LYS A 67 1.384 -0.861 -9.271 1.00 0.22 H new ATOM 0 HG2 LYS A 67 2.810 1.262 -10.447 1.00 0.84 H new ATOM 0 HG3 LYS A 67 4.036 0.076 -10.046 1.00 0.84 H new ATOM 0 HD2 LYS A 67 3.048 -0.206 -12.338 1.00 1.26 H new ATOM 0 HD3 LYS A 67 2.940 -1.637 -11.331 1.00 1.26 H new ATOM 0 HE2 LYS A 67 0.825 -1.287 -12.499 1.00 1.56 H new ATOM 0 HE3 LYS A 67 0.589 -1.089 -10.774 1.00 1.56 H new ATOM 0 HZ1 LYS A 67 -0.410 0.633 -12.371 1.00 2.20 H new ATOM 0 HZ2 LYS A 67 0.370 1.194 -10.971 1.00 2.20 H new ATOM 0 HZ3 LYS A 67 1.164 1.263 -12.470 1.00 2.20 H new ATOM 1115 N ALA A 68 0.810 0.172 -6.210 1.00 0.12 N ATOM 1116 CA ALA A 68 -0.180 -0.262 -5.239 1.00 0.14 C ATOM 1117 C ALA A 68 -0.927 0.937 -4.677 1.00 0.13 C ATOM 1118 O ALA A 68 -2.127 0.877 -4.428 1.00 0.23 O ATOM 1119 CB ALA A 68 0.491 -1.048 -4.119 1.00 0.17 C ATOM 0 H ALA A 68 1.775 0.102 -5.887 1.00 0.12 H new ATOM 0 HA ALA A 68 -0.898 -0.914 -5.736 1.00 0.14 H new ATOM 0 HB1 ALA A 68 -0.261 -1.368 -3.398 1.00 0.17 H new ATOM 0 HB2 ALA A 68 0.989 -1.923 -4.536 1.00 0.17 H new ATOM 0 HB3 ALA A 68 1.226 -0.416 -3.621 1.00 0.17 H new ATOM 1125 N PHE A 69 -0.201 2.033 -4.498 1.00 0.11 N ATOM 1126 CA PHE A 69 -0.771 3.261 -3.967 1.00 0.11 C ATOM 1127 C PHE A 69 -1.950 3.743 -4.807 1.00 0.10 C ATOM 1128 O PHE A 69 -2.964 4.187 -4.272 1.00 0.12 O ATOM 1129 CB PHE A 69 0.302 4.352 -3.931 1.00 0.11 C ATOM 1130 CG PHE A 69 1.412 4.128 -2.933 1.00 0.10 C ATOM 1131 CD1 PHE A 69 1.364 3.090 -2.012 1.00 0.10 C ATOM 1132 CD2 PHE A 69 2.509 4.977 -2.915 1.00 0.11 C ATOM 1133 CE1 PHE A 69 2.382 2.908 -1.096 1.00 0.10 C ATOM 1134 CE2 PHE A 69 3.531 4.797 -2.003 1.00 0.12 C ATOM 1135 CZ PHE A 69 3.467 3.762 -1.091 1.00 0.12 C ATOM 0 H PHE A 69 0.794 2.094 -4.716 1.00 0.11 H new ATOM 0 HA PHE A 69 -1.132 3.053 -2.960 1.00 0.11 H new ATOM 0 HB2 PHE A 69 0.741 4.441 -4.925 1.00 0.11 H new ATOM 0 HB3 PHE A 69 -0.178 5.305 -3.708 1.00 0.11 H new ATOM 0 HD1 PHE A 69 0.520 2.416 -2.012 1.00 0.10 H new ATOM 0 HD2 PHE A 69 2.565 5.790 -3.624 1.00 0.11 H new ATOM 0 HE1 PHE A 69 2.329 2.098 -0.384 1.00 0.10 H new ATOM 0 HE2 PHE A 69 4.379 5.465 -2.003 1.00 0.12 H new ATOM 0 HZ PHE A 69 4.264 3.621 -0.376 1.00 0.12 H new ATOM 1145 N GLY A 70 -1.809 3.650 -6.126 1.00 0.11 N ATOM 1146 CA GLY A 70 -2.856 4.112 -7.021 1.00 0.13 C ATOM 1147 C GLY A 70 -4.068 3.206 -7.068 1.00 0.13 C ATOM 1148 O GLY A 70 -5.194 3.672 -6.900 1.00 0.13 O ATOM 0 H GLY A 70 -0.988 3.263 -6.592 1.00 0.11 H new ATOM 0 HA2 GLY A 70 -3.171 5.108 -6.711 1.00 0.13 H new ATOM 0 HA3 GLY A 70 -2.446 4.206 -8.026 1.00 0.13 H new ATOM 1152 N ILE A 71 -3.849 1.919 -7.300 1.00 0.14 N ATOM 1153 CA ILE A 71 -4.949 0.966 -7.374 1.00 0.15 C ATOM 1154 C ILE A 71 -5.813 1.040 -6.122 1.00 0.13 C ATOM 1155 O ILE A 71 -7.030 0.876 -6.187 1.00 0.13 O ATOM 1156 CB ILE A 71 -4.428 -0.470 -7.565 1.00 0.19 C ATOM 1157 CG1 ILE A 71 -3.520 -0.528 -8.792 1.00 0.22 C ATOM 1158 CG2 ILE A 71 -5.586 -1.448 -7.714 1.00 0.22 C ATOM 1159 CD1 ILE A 71 -2.452 -1.590 -8.702 1.00 0.25 C ATOM 0 H ILE A 71 -2.924 1.512 -7.440 1.00 0.14 H new ATOM 0 HA ILE A 71 -5.557 1.232 -8.239 1.00 0.15 H new ATOM 0 HB ILE A 71 -3.855 -0.757 -6.683 1.00 0.19 H new ATOM 0 HG12 ILE A 71 -4.130 -0.711 -9.677 1.00 0.22 H new ATOM 0 HG13 ILE A 71 -3.045 0.443 -8.928 1.00 0.22 H new ATOM 0 HG21 ILE A 71 -5.195 -2.457 -7.848 1.00 0.22 H new ATOM 0 HG22 ILE A 71 -6.207 -1.415 -6.819 1.00 0.22 H new ATOM 0 HG23 ILE A 71 -6.185 -1.173 -8.582 1.00 0.22 H new ATOM 0 HD11 ILE A 71 -1.845 -1.573 -9.607 1.00 0.25 H new ATOM 0 HD12 ILE A 71 -1.818 -1.396 -7.837 1.00 0.25 H new ATOM 0 HD13 ILE A 71 -2.920 -2.569 -8.597 1.00 0.25 H new ATOM 1171 N VAL A 72 -5.180 1.299 -4.984 1.00 0.11 N ATOM 1172 CA VAL A 72 -5.909 1.407 -3.726 1.00 0.11 C ATOM 1173 C VAL A 72 -6.725 2.688 -3.707 1.00 0.12 C ATOM 1174 O VAL A 72 -7.893 2.688 -3.328 1.00 0.15 O ATOM 1175 CB VAL A 72 -4.969 1.400 -2.507 1.00 0.11 C ATOM 1176 CG1 VAL A 72 -5.764 1.538 -1.213 1.00 0.12 C ATOM 1177 CG2 VAL A 72 -4.120 0.140 -2.486 1.00 0.12 C ATOM 0 H VAL A 72 -4.172 1.437 -4.906 1.00 0.11 H new ATOM 0 HA VAL A 72 -6.562 0.537 -3.659 1.00 0.11 H new ATOM 0 HB VAL A 72 -4.300 2.257 -2.589 1.00 0.11 H new ATOM 0 HG11 VAL A 72 -5.081 1.531 -0.364 1.00 0.12 H new ATOM 0 HG12 VAL A 72 -6.318 2.476 -1.225 1.00 0.12 H new ATOM 0 HG13 VAL A 72 -6.462 0.705 -1.124 1.00 0.12 H new ATOM 0 HG21 VAL A 72 -3.464 0.158 -1.616 1.00 0.12 H new ATOM 0 HG22 VAL A 72 -4.768 -0.735 -2.434 1.00 0.12 H new ATOM 0 HG23 VAL A 72 -3.518 0.092 -3.393 1.00 0.12 H new ATOM 1187 N ILE A 73 -6.086 3.780 -4.119 1.00 0.13 N ATOM 1188 CA ILE A 73 -6.729 5.084 -4.158 1.00 0.16 C ATOM 1189 C ILE A 73 -7.980 5.059 -5.028 1.00 0.19 C ATOM 1190 O ILE A 73 -9.056 5.430 -4.578 1.00 0.28 O ATOM 1191 CB ILE A 73 -5.762 6.163 -4.693 1.00 0.18 C ATOM 1192 CG1 ILE A 73 -4.754 6.556 -3.613 1.00 0.16 C ATOM 1193 CG2 ILE A 73 -6.535 7.384 -5.174 1.00 0.24 C ATOM 1194 CD1 ILE A 73 -3.608 7.402 -4.126 1.00 0.16 C ATOM 0 H ILE A 73 -5.115 3.783 -4.432 1.00 0.13 H new ATOM 0 HA ILE A 73 -7.013 5.330 -3.135 1.00 0.16 H new ATOM 0 HB ILE A 73 -5.216 5.749 -5.541 1.00 0.18 H new ATOM 0 HG12 ILE A 73 -5.273 7.103 -2.826 1.00 0.16 H new ATOM 0 HG13 ILE A 73 -4.350 5.651 -3.159 1.00 0.16 H new ATOM 0 HG21 ILE A 73 -5.837 8.133 -5.547 1.00 0.24 H new ATOM 0 HG22 ILE A 73 -7.215 7.092 -5.974 1.00 0.24 H new ATOM 0 HG23 ILE A 73 -7.107 7.802 -4.346 1.00 0.24 H new ATOM 0 HD11 ILE A 73 -2.935 7.641 -3.302 1.00 0.16 H new ATOM 0 HD12 ILE A 73 -3.063 6.850 -4.892 1.00 0.16 H new ATOM 0 HD13 ILE A 73 -4.000 8.325 -4.554 1.00 0.16 H new ATOM 1206 N ASP A 74 -7.821 4.639 -6.277 1.00 0.18 N ATOM 1207 CA ASP A 74 -8.938 4.562 -7.215 1.00 0.21 C ATOM 1208 C ASP A 74 -10.111 3.797 -6.610 1.00 0.19 C ATOM 1209 O ASP A 74 -11.224 4.314 -6.542 1.00 0.22 O ATOM 1210 CB ASP A 74 -8.493 3.887 -8.515 1.00 0.26 C ATOM 1211 CG ASP A 74 -9.574 3.909 -9.578 1.00 0.44 C ATOM 1212 OD1 ASP A 74 -9.657 4.911 -10.319 1.00 0.61 O ATOM 1213 OD2 ASP A 74 -10.335 2.924 -9.672 1.00 0.55 O ATOM 0 H ASP A 74 -6.925 4.345 -6.667 1.00 0.18 H new ATOM 0 HA ASP A 74 -9.265 5.579 -7.432 1.00 0.21 H new ATOM 0 HB2 ASP A 74 -7.603 4.389 -8.895 1.00 0.26 H new ATOM 0 HB3 ASP A 74 -8.213 2.854 -8.307 1.00 0.26 H new ATOM 1218 N TYR A 75 -9.864 2.562 -6.182 1.00 0.20 N ATOM 1219 CA TYR A 75 -10.904 1.750 -5.573 1.00 0.25 C ATOM 1220 C TYR A 75 -11.430 2.438 -4.323 1.00 0.27 C ATOM 1221 O TYR A 75 -12.599 2.303 -3.969 1.00 0.34 O ATOM 1222 CB TYR A 75 -10.367 0.350 -5.288 1.00 0.31 C ATOM 1223 CG TYR A 75 -10.224 -0.465 -6.557 1.00 0.52 C ATOM 1224 CD1 TYR A 75 -11.263 -0.517 -7.471 1.00 0.26 C ATOM 1225 CD2 TYR A 75 -9.062 -1.168 -6.847 1.00 1.16 C ATOM 1226 CE1 TYR A 75 -11.157 -1.245 -8.639 1.00 0.40 C ATOM 1227 CE2 TYR A 75 -8.947 -1.900 -8.014 1.00 1.41 C ATOM 1228 CZ TYR A 75 -9.996 -1.936 -8.906 1.00 0.99 C ATOM 1229 OH TYR A 75 -9.884 -2.663 -10.069 1.00 1.24 O ATOM 0 H TYR A 75 -8.954 2.106 -6.247 1.00 0.20 H new ATOM 0 HA TYR A 75 -11.744 1.641 -6.259 1.00 0.25 H new ATOM 0 HB2 TYR A 75 -9.399 0.426 -4.793 1.00 0.31 H new ATOM 0 HB3 TYR A 75 -11.038 -0.164 -4.599 1.00 0.31 H new ATOM 0 HD1 TYR A 75 -12.175 0.023 -7.266 1.00 0.26 H new ATOM 0 HD2 TYR A 75 -8.237 -1.142 -6.151 1.00 1.16 H new ATOM 0 HE1 TYR A 75 -11.979 -1.273 -9.339 1.00 0.40 H new ATOM 0 HE2 TYR A 75 -8.037 -2.442 -8.226 1.00 1.41 H new ATOM 0 HH TYR A 75 -9.002 -3.089 -10.105 1.00 1.24 H new ATOM 1239 N LYS A 76 -10.553 3.178 -3.658 1.00 0.24 N ATOM 1240 CA LYS A 76 -10.931 3.938 -2.477 1.00 0.30 C ATOM 1241 C LYS A 76 -11.821 5.098 -2.911 1.00 0.37 C ATOM 1242 O LYS A 76 -12.733 5.515 -2.198 1.00 0.51 O ATOM 1243 CB LYS A 76 -9.669 4.456 -1.770 1.00 0.29 C ATOM 1244 CG LYS A 76 -9.874 5.714 -0.940 1.00 0.40 C ATOM 1245 CD LYS A 76 -8.987 6.842 -1.439 1.00 0.43 C ATOM 1246 CE LYS A 76 -8.083 7.373 -0.342 1.00 0.75 C ATOM 1247 NZ LYS A 76 -8.853 8.091 0.710 1.00 1.66 N ATOM 0 H LYS A 76 -9.571 3.267 -3.919 1.00 0.24 H new ATOM 0 HA LYS A 76 -11.478 3.306 -1.778 1.00 0.30 H new ATOM 0 HB2 LYS A 76 -9.284 3.669 -1.122 1.00 0.29 H new ATOM 0 HB3 LYS A 76 -8.904 4.654 -2.521 1.00 0.29 H new ATOM 0 HG2 LYS A 76 -10.919 6.020 -0.987 1.00 0.40 H new ATOM 0 HG3 LYS A 76 -9.650 5.505 0.106 1.00 0.40 H new ATOM 0 HD2 LYS A 76 -8.379 6.486 -2.271 1.00 0.43 H new ATOM 0 HD3 LYS A 76 -9.609 7.651 -1.822 1.00 0.43 H new ATOM 0 HE2 LYS A 76 -7.535 6.546 0.109 1.00 0.75 H new ATOM 0 HE3 LYS A 76 -7.344 8.047 -0.775 1.00 0.75 H new ATOM 0 HZ1 LYS A 76 -8.201 8.650 1.297 1.00 1.66 H new ATOM 0 HZ2 LYS A 76 -9.545 8.725 0.262 1.00 1.66 H new ATOM 0 HZ3 LYS A 76 -9.351 7.401 1.307 1.00 1.66 H new ATOM 1261 N GLU A 77 -11.528 5.602 -4.105 1.00 0.31 N ATOM 1262 CA GLU A 77 -12.257 6.702 -4.703 1.00 0.36 C ATOM 1263 C GLU A 77 -13.603 6.232 -5.246 1.00 0.34 C ATOM 1264 O GLU A 77 -14.557 7.004 -5.332 1.00 0.39 O ATOM 1265 CB GLU A 77 -11.412 7.309 -5.826 1.00 0.38 C ATOM 1266 CG GLU A 77 -10.246 8.149 -5.330 1.00 0.49 C ATOM 1267 CD GLU A 77 -9.823 9.204 -6.333 1.00 0.80 C ATOM 1268 OE1 GLU A 77 -10.424 10.300 -6.333 1.00 1.09 O ATOM 1269 OE2 GLU A 77 -8.890 8.937 -7.119 1.00 1.16 O ATOM 0 H GLU A 77 -10.768 5.250 -4.687 1.00 0.31 H new ATOM 0 HA GLU A 77 -12.452 7.457 -3.941 1.00 0.36 H new ATOM 0 HB2 GLU A 77 -11.028 6.505 -6.454 1.00 0.38 H new ATOM 0 HB3 GLU A 77 -12.052 7.928 -6.456 1.00 0.38 H new ATOM 0 HG2 GLU A 77 -10.523 8.633 -4.394 1.00 0.49 H new ATOM 0 HG3 GLU A 77 -9.399 7.498 -5.114 1.00 0.49 H new ATOM 1276 N ARG A 78 -13.665 4.953 -5.612 1.00 0.31 N ATOM 1277 CA ARG A 78 -14.881 4.366 -6.160 1.00 0.33 C ATOM 1278 C ARG A 78 -15.733 3.742 -5.063 1.00 0.36 C ATOM 1279 O ARG A 78 -16.666 2.987 -5.342 1.00 0.43 O ATOM 1280 CB ARG A 78 -14.517 3.307 -7.201 1.00 0.34 C ATOM 1281 CG ARG A 78 -14.007 3.889 -8.509 1.00 0.46 C ATOM 1282 CD ARG A 78 -13.643 2.797 -9.501 1.00 0.42 C ATOM 1283 NE ARG A 78 -14.803 2.000 -9.890 1.00 1.15 N ATOM 1284 CZ ARG A 78 -14.745 0.973 -10.734 1.00 1.36 C ATOM 1285 NH1 ARG A 78 -13.586 0.616 -11.273 1.00 1.04 N ATOM 1286 NH2 ARG A 78 -15.847 0.303 -11.041 1.00 2.37 N ATOM 0 H ARG A 78 -12.882 4.303 -5.537 1.00 0.31 H new ATOM 0 HA ARG A 78 -15.462 5.159 -6.631 1.00 0.33 H new ATOM 0 HB2 ARG A 78 -13.755 2.648 -6.785 1.00 0.34 H new ATOM 0 HB3 ARG A 78 -15.394 2.693 -7.404 1.00 0.34 H new ATOM 0 HG2 ARG A 78 -14.770 4.536 -8.942 1.00 0.46 H new ATOM 0 HG3 ARG A 78 -13.134 4.512 -8.315 1.00 0.46 H new ATOM 0 HD2 ARG A 78 -13.199 3.247 -10.389 1.00 0.42 H new ATOM 0 HD3 ARG A 78 -12.887 2.146 -9.062 1.00 0.42 H new ATOM 0 HE ARG A 78 -15.710 2.245 -9.492 1.00 1.15 H new ATOM 0 HH11 ARG A 78 -12.736 1.129 -11.041 1.00 1.04 H new ATOM 0 HH12 ARG A 78 -13.545 -0.172 -11.920 1.00 1.04 H new ATOM 0 HH21 ARG A 78 -16.740 0.575 -10.630 1.00 2.37 H new ATOM 0 HH22 ARG A 78 -15.802 -0.484 -11.688 1.00 2.37 H new ATOM 1300 N ASP A 79 -15.404 4.062 -3.816 1.00 0.38 N ATOM 1301 CA ASP A 79 -16.135 3.535 -2.667 1.00 0.43 C ATOM 1302 C ASP A 79 -16.102 2.008 -2.664 1.00 0.40 C ATOM 1303 O ASP A 79 -16.956 1.355 -2.064 1.00 0.47 O ATOM 1304 CB ASP A 79 -17.583 4.037 -2.678 1.00 0.54 C ATOM 1305 CG ASP A 79 -18.331 3.689 -1.406 1.00 1.47 C ATOM 1306 OD1 ASP A 79 -18.077 4.342 -0.371 1.00 2.13 O ATOM 1307 OD2 ASP A 79 -19.170 2.764 -1.443 1.00 2.00 O ATOM 0 H ASP A 79 -14.634 4.685 -3.574 1.00 0.38 H new ATOM 0 HA ASP A 79 -15.650 3.892 -1.758 1.00 0.43 H new ATOM 0 HB2 ASP A 79 -17.588 5.119 -2.813 1.00 0.54 H new ATOM 0 HB3 ASP A 79 -18.106 3.607 -3.532 1.00 0.54 H new ATOM 1312 N LEU A 80 -15.104 1.447 -3.340 1.00 0.32 N ATOM 1313 CA LEU A 80 -14.951 0.000 -3.417 1.00 0.32 C ATOM 1314 C LEU A 80 -14.261 -0.534 -2.166 1.00 0.31 C ATOM 1315 O LEU A 80 -14.132 -1.745 -1.980 1.00 0.50 O ATOM 1316 CB LEU A 80 -14.169 -0.390 -4.675 1.00 0.29 C ATOM 1317 CG LEU A 80 -15.007 -1.058 -5.764 1.00 0.36 C ATOM 1318 CD1 LEU A 80 -15.608 -0.009 -6.683 1.00 0.38 C ATOM 1319 CD2 LEU A 80 -14.164 -2.035 -6.558 1.00 0.39 C ATOM 0 H LEU A 80 -14.389 1.974 -3.842 1.00 0.32 H new ATOM 0 HA LEU A 80 -15.943 -0.449 -3.477 1.00 0.32 H new ATOM 0 HB2 LEU A 80 -13.705 0.505 -5.090 1.00 0.29 H new ATOM 0 HB3 LEU A 80 -13.362 -1.065 -4.390 1.00 0.29 H new ATOM 0 HG LEU A 80 -15.817 -1.610 -5.288 1.00 0.36 H new ATOM 0 HD11 LEU A 80 -16.203 -0.499 -7.454 1.00 0.38 H new ATOM 0 HD12 LEU A 80 -16.245 0.660 -6.104 1.00 0.38 H new ATOM 0 HD13 LEU A 80 -14.809 0.566 -7.151 1.00 0.38 H new ATOM 0 HD21 LEU A 80 -14.777 -2.501 -7.329 1.00 0.39 H new ATOM 0 HD22 LEU A 80 -13.335 -1.504 -7.025 1.00 0.39 H new ATOM 0 HD23 LEU A 80 -13.773 -2.804 -5.891 1.00 0.39 H new ATOM 1331 N ILE A 81 -13.820 0.386 -1.315 1.00 0.18 N ATOM 1332 CA ILE A 81 -13.159 0.033 -0.064 1.00 0.14 C ATOM 1333 C ILE A 81 -14.036 0.429 1.115 1.00 0.13 C ATOM 1334 O ILE A 81 -14.547 1.548 1.172 1.00 0.15 O ATOM 1335 CB ILE A 81 -11.789 0.727 0.068 1.00 0.13 C ATOM 1336 CG1 ILE A 81 -10.848 0.239 -1.036 1.00 0.15 C ATOM 1337 CG2 ILE A 81 -11.188 0.462 1.446 1.00 0.11 C ATOM 1338 CD1 ILE A 81 -9.492 0.915 -1.029 1.00 0.17 C ATOM 0 H ILE A 81 -13.910 1.390 -1.471 1.00 0.18 H new ATOM 0 HA ILE A 81 -13.000 -1.045 -0.067 1.00 0.14 H new ATOM 0 HB ILE A 81 -11.926 1.803 -0.041 1.00 0.13 H new ATOM 0 HG12 ILE A 81 -10.707 -0.837 -0.931 1.00 0.15 H new ATOM 0 HG13 ILE A 81 -11.321 0.406 -2.004 1.00 0.15 H new ATOM 0 HG21 ILE A 81 -10.221 0.959 1.523 1.00 0.11 H new ATOM 0 HG22 ILE A 81 -11.857 0.849 2.215 1.00 0.11 H new ATOM 0 HG23 ILE A 81 -11.057 -0.611 1.585 1.00 0.11 H new ATOM 0 HD11 ILE A 81 -8.882 0.516 -1.840 1.00 0.17 H new ATOM 0 HD12 ILE A 81 -9.620 1.989 -1.166 1.00 0.17 H new ATOM 0 HD13 ILE A 81 -8.997 0.727 -0.076 1.00 0.17 H new ATOM 1350 N ASP A 82 -14.209 -0.494 2.051 1.00 0.13 N ATOM 1351 CA ASP A 82 -15.031 -0.242 3.223 1.00 0.13 C ATOM 1352 C ASP A 82 -14.533 0.978 3.982 1.00 0.13 C ATOM 1353 O ASP A 82 -13.334 1.128 4.219 1.00 0.13 O ATOM 1354 CB ASP A 82 -15.019 -1.454 4.150 1.00 0.15 C ATOM 1355 CG ASP A 82 -16.286 -1.564 4.974 1.00 0.20 C ATOM 1356 OD1 ASP A 82 -16.494 -0.708 5.860 1.00 0.41 O ATOM 1357 OD2 ASP A 82 -17.068 -2.508 4.737 1.00 0.47 O ATOM 0 H ASP A 82 -13.790 -1.424 2.020 1.00 0.13 H new ATOM 0 HA ASP A 82 -16.050 -0.055 2.883 1.00 0.13 H new ATOM 0 HB2 ASP A 82 -14.895 -2.360 3.557 1.00 0.15 H new ATOM 0 HB3 ASP A 82 -14.159 -1.389 4.817 1.00 0.15 H new ATOM 1362 N ARG A 83 -15.464 1.847 4.359 1.00 0.15 N ATOM 1363 CA ARG A 83 -15.121 3.047 5.104 1.00 0.16 C ATOM 1364 C ARG A 83 -14.490 2.674 6.439 1.00 0.18 C ATOM 1365 O ARG A 83 -13.922 3.520 7.128 1.00 0.20 O ATOM 1366 CB ARG A 83 -16.357 3.924 5.310 1.00 0.19 C ATOM 1367 CG ARG A 83 -16.793 4.648 4.043 1.00 0.33 C ATOM 1368 CD ARG A 83 -15.766 5.687 3.614 1.00 0.63 C ATOM 1369 NE ARG A 83 -15.872 6.015 2.194 1.00 0.52 N ATOM 1370 CZ ARG A 83 -16.716 6.919 1.705 1.00 0.81 C ATOM 1371 NH1 ARG A 83 -17.536 7.574 2.516 1.00 0.90 N ATOM 1372 NH2 ARG A 83 -16.740 7.168 0.402 1.00 1.48 N ATOM 0 H ARG A 83 -16.459 1.741 4.160 1.00 0.15 H new ATOM 0 HA ARG A 83 -14.394 3.621 4.529 1.00 0.16 H new ATOM 0 HB2 ARG A 83 -17.179 3.305 5.669 1.00 0.19 H new ATOM 0 HB3 ARG A 83 -16.149 4.659 6.088 1.00 0.19 H new ATOM 0 HG2 ARG A 83 -16.938 3.925 3.241 1.00 0.33 H new ATOM 0 HG3 ARG A 83 -17.754 5.133 4.212 1.00 0.33 H new ATOM 0 HD2 ARG A 83 -15.900 6.593 4.205 1.00 0.63 H new ATOM 0 HD3 ARG A 83 -14.764 5.313 3.825 1.00 0.63 H new ATOM 0 HE ARG A 83 -15.264 5.522 1.540 1.00 0.52 H new ATOM 0 HH11 ARG A 83 -17.521 7.385 3.518 1.00 0.90 H new ATOM 0 HH12 ARG A 83 -18.182 8.267 2.137 1.00 0.90 H new ATOM 0 HH21 ARG A 83 -16.111 6.666 -0.225 1.00 1.48 H new ATOM 0 HH22 ARG A 83 -17.387 7.861 0.027 1.00 1.48 H new ATOM 1386 N SER A 84 -14.605 1.398 6.799 1.00 0.17 N ATOM 1387 CA SER A 84 -14.032 0.902 8.041 1.00 0.20 C ATOM 1388 C SER A 84 -12.512 1.010 7.993 1.00 0.19 C ATOM 1389 O SER A 84 -11.869 1.317 8.997 1.00 0.23 O ATOM 1390 CB SER A 84 -14.450 -0.550 8.281 1.00 0.22 C ATOM 1391 OG SER A 84 -15.855 -0.657 8.432 1.00 1.09 O ATOM 0 H SER A 84 -15.090 0.691 6.246 1.00 0.17 H new ATOM 0 HA SER A 84 -14.405 1.510 8.865 1.00 0.20 H new ATOM 0 HB2 SER A 84 -14.123 -1.169 7.446 1.00 0.22 H new ATOM 0 HB3 SER A 84 -13.955 -0.932 9.174 1.00 0.22 H new ATOM 0 HG SER A 84 -16.292 -0.450 7.580 1.00 1.09 H new ATOM 1397 N ALA A 85 -11.942 0.752 6.815 1.00 0.16 N ATOM 1398 CA ALA A 85 -10.497 0.837 6.632 1.00 0.16 C ATOM 1399 C ALA A 85 -10.021 2.252 6.909 1.00 0.19 C ATOM 1400 O ALA A 85 -8.988 2.460 7.545 1.00 0.22 O ATOM 1401 CB ALA A 85 -10.104 0.425 5.218 1.00 0.14 C ATOM 0 H ALA A 85 -12.459 0.484 5.978 1.00 0.16 H new ATOM 0 HA ALA A 85 -10.022 0.153 7.335 1.00 0.16 H new ATOM 0 HB1 ALA A 85 -9.022 0.497 5.106 1.00 0.14 H new ATOM 0 HB2 ALA A 85 -10.421 -0.602 5.037 1.00 0.14 H new ATOM 0 HB3 ALA A 85 -10.588 1.086 4.499 1.00 0.14 H new ATOM 1407 N TYR A 86 -10.793 3.217 6.422 1.00 0.20 N ATOM 1408 CA TYR A 86 -10.471 4.632 6.605 1.00 0.25 C ATOM 1409 C TYR A 86 -10.116 4.931 8.060 1.00 0.31 C ATOM 1410 O TYR A 86 -11.048 5.102 8.873 1.00 1.10 O ATOM 1411 CB TYR A 86 -11.646 5.514 6.173 1.00 0.28 C ATOM 1412 CG TYR A 86 -11.866 5.561 4.679 1.00 0.28 C ATOM 1413 CD1 TYR A 86 -12.133 4.406 3.964 1.00 0.23 C ATOM 1414 CD2 TYR A 86 -11.814 6.764 3.984 1.00 0.40 C ATOM 1415 CE1 TYR A 86 -12.344 4.438 2.600 1.00 0.26 C ATOM 1416 CE2 TYR A 86 -12.023 6.808 2.620 1.00 0.44 C ATOM 1417 CZ TYR A 86 -12.288 5.644 1.931 1.00 0.34 C ATOM 1418 OH TYR A 86 -12.501 5.683 0.573 1.00 0.40 O ATOM 1419 OXT TYR A 86 -8.908 4.991 8.373 1.00 1.02 O ATOM 0 H TYR A 86 -11.650 3.047 5.895 1.00 0.20 H new ATOM 0 HA TYR A 86 -9.606 4.856 5.980 1.00 0.25 H new ATOM 0 HB2 TYR A 86 -12.555 5.150 6.652 1.00 0.28 H new ATOM 0 HB3 TYR A 86 -11.478 6.528 6.537 1.00 0.28 H new ATOM 0 HD1 TYR A 86 -12.177 3.460 4.484 1.00 0.23 H new ATOM 0 HD2 TYR A 86 -11.607 7.679 4.520 1.00 0.40 H new ATOM 0 HE1 TYR A 86 -12.551 3.526 2.060 1.00 0.26 H new ATOM 0 HE2 TYR A 86 -11.979 7.751 2.095 1.00 0.44 H new ATOM 0 HH TYR A 86 -12.523 6.615 0.272 1.00 0.40 H new TER 1429 TYR A 86