USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 530 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 8 ASN : amide:sc= 0.0493 K(o=0.11,f=-0.98) USER MOD Set 1.2: A 71 SER OG : rot -152:sc= 0.0619 USER MOD Set 2.1: A 53 SER OG : rot 180:sc= 1.15 USER MOD Set 2.2: A 56 THR OG1 : rot 76:sc= 0.98 USER MOD Set 3.1: A 37 SER OG : rot 170:sc= 0.172 USER MOD Set 3.2: A 40 ASN : amide:sc= 0 X(o=0.17,f=-0.23) USER MOD Set 4.1: A 14 CYS SG : rot 180:sc= -3.04! USER MOD Set 4.2: A 16 SER OG : rot 96:sc= 0.0637 USER MOD Single : A 1 LEU N :NH3+ -109:sc= -0.248 (180deg=-1.74!) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= 0.667 K(o=0.67,f=-0.056) USER MOD Single : A 5 THR OG1 : rot 62:sc= 1.18 USER MOD Single : A 12 MET CE :methyl -148:sc=-0.00411 (180deg=-0.134) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 19 GLN : amide:sc= 0.388 X(o=0.39,f=-0.065) USER MOD Single : A 20 SER OG : rot -81:sc= 0.569 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -142:sc= -0.108 (180deg=-0.934) USER MOD Single : A 28 LYS NZ :NH3+ 163:sc= 0.263 (180deg=-0.0926) USER MOD Single : A 32 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.341) USER MOD Single : A 33 SER OG : rot -132:sc= 0.00457 USER MOD Single : A 41 SER OG : rot 11:sc= 0.818 USER MOD Single : A 42 ASN : amide:sc= -0.425 K(o=-0.42,f=-2.7!) 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 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -169:sc=-0.00247 (180deg=-0.165) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 5.367 -17.982 -1.525 1.00 0.00 N ATOM 2 CA LEU A 1 5.682 -17.170 -2.716 1.00 0.00 C ATOM 3 C LEU A 1 5.614 -15.669 -2.433 1.00 0.00 C ATOM 4 O LEU A 1 5.205 -15.257 -1.349 1.00 0.00 O ATOM 5 CB LEU A 1 4.834 -17.576 -3.936 1.00 0.00 C ATOM 6 CG LEU A 1 3.404 -17.005 -3.995 1.00 0.00 C ATOM 7 CD1 LEU A 1 2.747 -17.455 -5.306 1.00 0.00 C ATOM 8 CD2 LEU A 1 2.532 -17.457 -2.818 1.00 0.00 C ATOM 0 H1 LEU A 1 6.233 -18.443 -1.180 1.00 0.00 H new ATOM 0 H2 LEU A 1 4.981 -17.369 -0.779 1.00 0.00 H new ATOM 0 H3 LEU A 1 4.665 -18.707 -1.775 1.00 0.00 H new ATOM 0 HA LEU A 1 6.719 -17.385 -2.973 1.00 0.00 H new ATOM 0 HB2 LEU A 1 5.363 -17.268 -4.838 1.00 0.00 H new ATOM 0 HB3 LEU A 1 4.769 -18.664 -3.961 1.00 0.00 H new ATOM 0 HG LEU A 1 3.482 -15.919 -3.940 1.00 0.00 H new ATOM 0 HD11 LEU A 1 1.734 -17.057 -5.360 1.00 0.00 H new ATOM 0 HD12 LEU A 1 3.328 -17.084 -6.150 1.00 0.00 H new ATOM 0 HD13 LEU A 1 2.712 -18.544 -5.340 1.00 0.00 H new ATOM 0 HD21 LEU A 1 1.537 -17.023 -2.915 1.00 0.00 H new ATOM 0 HD22 LEU A 1 2.455 -18.544 -2.819 1.00 0.00 H new ATOM 0 HD23 LEU A 1 2.983 -17.126 -1.883 1.00 0.00 H new ATOM 22 N THR A 2 6.020 -14.858 -3.417 1.00 0.00 N ATOM 23 CA THR A 2 6.016 -13.403 -3.346 1.00 0.00 C ATOM 24 C THR A 2 5.311 -12.835 -4.576 1.00 0.00 C ATOM 25 O THR A 2 5.478 -13.352 -5.679 1.00 0.00 O ATOM 26 CB THR A 2 7.455 -12.876 -3.273 1.00 0.00 C ATOM 27 OG1 THR A 2 8.220 -13.391 -4.345 1.00 0.00 O ATOM 28 CG2 THR A 2 8.127 -13.253 -1.951 1.00 0.00 C ATOM 0 H THR A 2 6.369 -15.212 -4.308 1.00 0.00 H new ATOM 0 HA THR A 2 5.483 -13.088 -2.449 1.00 0.00 H new ATOM 0 HB THR A 2 7.407 -11.789 -3.339 1.00 0.00 H new ATOM 0 HG1 THR A 2 9.136 -13.046 -4.289 1.00 0.00 H new ATOM 0 HG21 THR A 2 9.145 -12.863 -1.936 1.00 0.00 H new ATOM 0 HG22 THR A 2 7.563 -12.827 -1.121 1.00 0.00 H new ATOM 0 HG23 THR A 2 8.153 -14.338 -1.853 1.00 0.00 H new ATOM 36 N GLN A 3 4.542 -11.761 -4.372 1.00 0.00 N ATOM 37 CA GLN A 3 3.896 -10.966 -5.406 1.00 0.00 C ATOM 38 C GLN A 3 4.100 -9.488 -5.067 1.00 0.00 C ATOM 39 O GLN A 3 4.568 -9.157 -3.978 1.00 0.00 O ATOM 40 CB GLN A 3 2.400 -11.309 -5.470 1.00 0.00 C ATOM 41 CG GLN A 3 2.112 -12.704 -6.041 1.00 0.00 C ATOM 42 CD GLN A 3 2.411 -12.793 -7.536 1.00 0.00 C ATOM 43 OE1 GLN A 3 1.562 -12.459 -8.358 1.00 0.00 O ATOM 44 NE2 GLN A 3 3.613 -13.245 -7.896 1.00 0.00 N ATOM 0 H GLN A 3 4.347 -11.410 -3.434 1.00 0.00 H new ATOM 0 HA GLN A 3 4.331 -11.181 -6.382 1.00 0.00 H new ATOM 0 HB2 GLN A 3 1.977 -11.242 -4.467 1.00 0.00 H new ATOM 0 HB3 GLN A 3 1.891 -10.564 -6.081 1.00 0.00 H new ATOM 0 HG2 GLN A 3 2.711 -13.443 -5.509 1.00 0.00 H new ATOM 0 HG3 GLN A 3 1.066 -12.956 -5.867 1.00 0.00 H new ATOM 0 HE21 GLN A 3 4.292 -13.513 -7.183 1.00 0.00 H new ATOM 0 HE22 GLN A 3 3.854 -13.323 -8.884 1.00 0.00 H new ATOM 53 N GLU A 4 3.748 -8.601 -6.004 1.00 0.00 N ATOM 54 CA GLU A 4 3.826 -7.161 -5.816 1.00 0.00 C ATOM 55 C GLU A 4 2.597 -6.514 -6.450 1.00 0.00 C ATOM 56 O GLU A 4 2.334 -6.725 -7.632 1.00 0.00 O ATOM 57 CB GLU A 4 5.145 -6.631 -6.394 1.00 0.00 C ATOM 58 CG GLU A 4 5.351 -5.147 -6.068 1.00 0.00 C ATOM 59 CD GLU A 4 6.758 -4.690 -6.440 1.00 0.00 C ATOM 60 OE1 GLU A 4 7.690 -5.072 -5.700 1.00 0.00 O ATOM 61 OE2 GLU A 4 6.878 -3.969 -7.454 1.00 0.00 O ATOM 0 H GLU A 4 3.398 -8.873 -6.923 1.00 0.00 H new ATOM 0 HA GLU A 4 3.825 -6.907 -4.756 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.977 -7.210 -5.993 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.151 -6.770 -7.475 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.617 -4.548 -6.607 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.180 -4.979 -5.005 1.00 0.00 H new ATOM 68 N THR A 5 1.849 -5.744 -5.650 1.00 0.00 N ATOM 69 CA THR A 5 0.617 -5.079 -6.050 1.00 0.00 C ATOM 70 C THR A 5 0.836 -3.570 -6.043 1.00 0.00 C ATOM 71 O THR A 5 1.406 -3.029 -5.095 1.00 0.00 O ATOM 72 CB THR A 5 -0.547 -5.495 -5.130 1.00 0.00 C ATOM 73 OG1 THR A 5 -1.730 -4.815 -5.497 1.00 0.00 O ATOM 74 CG2 THR A 5 -0.303 -5.218 -3.641 1.00 0.00 C ATOM 0 H THR A 5 2.098 -5.565 -4.677 1.00 0.00 H new ATOM 0 HA THR A 5 0.347 -5.382 -7.061 1.00 0.00 H new ATOM 0 HB THR A 5 -0.636 -6.573 -5.262 1.00 0.00 H new ATOM 0 HG1 THR A 5 -1.979 -5.062 -6.412 1.00 0.00 H new ATOM 0 HG21 THR A 5 -1.170 -5.540 -3.064 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.578 -5.767 -3.308 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.144 -4.150 -3.491 1.00 0.00 H new ATOM 82 N VAL A 6 0.368 -2.898 -7.101 1.00 0.00 N ATOM 83 CA VAL A 6 0.292 -1.450 -7.167 1.00 0.00 C ATOM 84 C VAL A 6 -1.156 -1.092 -6.849 1.00 0.00 C ATOM 85 O VAL A 6 -2.077 -1.604 -7.485 1.00 0.00 O ATOM 86 CB VAL A 6 0.732 -0.926 -8.545 1.00 0.00 C ATOM 87 CG1 VAL A 6 0.691 0.609 -8.567 1.00 0.00 C ATOM 88 CG2 VAL A 6 2.152 -1.390 -8.889 1.00 0.00 C ATOM 0 H VAL A 6 0.028 -3.360 -7.944 1.00 0.00 H new ATOM 0 HA VAL A 6 0.971 -0.981 -6.454 1.00 0.00 H new ATOM 0 HB VAL A 6 0.040 -1.328 -9.286 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.005 0.967 -9.547 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.325 0.949 -8.364 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.364 1.002 -7.805 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.434 -1.004 -9.868 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.848 -1.018 -8.138 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.185 -2.479 -8.906 1.00 0.00 H new ATOM 98 N ILE A 7 -1.343 -0.228 -5.850 1.00 0.00 N ATOM 99 CA ILE A 7 -2.638 0.257 -5.408 1.00 0.00 C ATOM 100 C ILE A 7 -2.594 1.772 -5.564 1.00 0.00 C ATOM 101 O ILE A 7 -1.749 2.412 -4.947 1.00 0.00 O ATOM 102 CB ILE A 7 -2.882 -0.172 -3.945 1.00 0.00 C ATOM 103 CG1 ILE A 7 -2.751 -1.703 -3.814 1.00 0.00 C ATOM 104 CG2 ILE A 7 -4.261 0.309 -3.471 1.00 0.00 C ATOM 105 CD1 ILE A 7 -3.082 -2.237 -2.416 1.00 0.00 C ATOM 0 H ILE A 7 -0.568 0.162 -5.313 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.461 -0.156 -5.991 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.128 0.290 -3.308 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.412 -2.178 -4.539 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.733 -1.994 -4.072 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.419 -0.001 -2.438 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -4.309 1.396 -3.535 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -5.035 -0.126 -4.103 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.967 -3.321 -2.404 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.405 -1.792 -1.687 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -4.110 -1.979 -2.162 1.00 0.00 H new ATOM 117 N ASN A 8 -3.480 2.352 -6.380 1.00 0.00 N ATOM 118 CA ASN A 8 -3.581 3.798 -6.521 1.00 0.00 C ATOM 119 C ASN A 8 -4.247 4.356 -5.266 1.00 0.00 C ATOM 120 O ASN A 8 -5.329 3.901 -4.900 1.00 0.00 O ATOM 121 CB ASN A 8 -4.380 4.166 -7.777 1.00 0.00 C ATOM 122 CG ASN A 8 -3.680 3.745 -9.069 1.00 0.00 C ATOM 123 OD1 ASN A 8 -2.459 3.605 -9.114 1.00 0.00 O ATOM 124 ND2 ASN A 8 -4.459 3.536 -10.132 1.00 0.00 N ATOM 0 H ASN A 8 -4.141 1.831 -6.956 1.00 0.00 H new ATOM 0 HA ASN A 8 -2.587 4.231 -6.633 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -5.361 3.693 -7.730 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -4.546 5.243 -7.794 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -4.045 3.250 -11.019 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -5.468 3.662 -10.057 1.00 0.00 H new ATOM 131 N ILE A 9 -3.590 5.322 -4.611 1.00 0.00 N ATOM 132 CA ILE A 9 -4.019 5.922 -3.356 1.00 0.00 C ATOM 133 C ILE A 9 -4.257 7.406 -3.618 1.00 0.00 C ATOM 134 O ILE A 9 -3.304 8.166 -3.786 1.00 0.00 O ATOM 135 CB ILE A 9 -2.965 5.715 -2.249 1.00 0.00 C ATOM 136 CG1 ILE A 9 -2.583 4.234 -2.088 1.00 0.00 C ATOM 137 CG2 ILE A 9 -3.520 6.263 -0.925 1.00 0.00 C ATOM 138 CD1 ILE A 9 -1.438 4.024 -1.093 1.00 0.00 C ATOM 0 H ILE A 9 -2.716 5.716 -4.958 1.00 0.00 H new ATOM 0 HA ILE A 9 -4.935 5.447 -3.004 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.060 6.252 -2.532 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.456 3.672 -1.755 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.294 3.830 -3.058 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.782 6.122 -0.135 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.737 7.326 -1.033 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.435 5.731 -0.666 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.211 2.961 -1.019 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.554 4.561 -1.437 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.733 4.401 -0.114 1.00 0.00 H new ATOM 150 N ASP A 10 -5.529 7.813 -3.644 1.00 0.00 N ATOM 151 CA ASP A 10 -5.930 9.196 -3.843 1.00 0.00 C ATOM 152 C ASP A 10 -6.262 9.811 -2.484 1.00 0.00 C ATOM 153 O ASP A 10 -6.928 9.182 -1.661 1.00 0.00 O ATOM 154 CB ASP A 10 -7.121 9.253 -4.806 1.00 0.00 C ATOM 155 CG ASP A 10 -6.768 8.646 -6.163 1.00 0.00 C ATOM 156 OD1 ASP A 10 -6.172 9.384 -6.977 1.00 0.00 O ATOM 157 OD2 ASP A 10 -7.095 7.456 -6.360 1.00 0.00 O ATOM 0 H ASP A 10 -6.317 7.176 -3.525 1.00 0.00 H new ATOM 0 HA ASP A 10 -5.121 9.772 -4.291 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.966 8.717 -4.374 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -7.435 10.288 -4.939 1.00 0.00 H new ATOM 162 N GLY A 11 -5.775 11.038 -2.256 1.00 0.00 N ATOM 163 CA GLY A 11 -5.938 11.781 -1.013 1.00 0.00 C ATOM 164 C GLY A 11 -4.606 12.058 -0.308 1.00 0.00 C ATOM 165 O GLY A 11 -4.610 12.676 0.757 1.00 0.00 O ATOM 0 H GLY A 11 -5.241 11.551 -2.957 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.436 12.727 -1.223 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -6.589 11.220 -0.342 1.00 0.00 H new ATOM 169 N MET A 12 -3.471 11.629 -0.882 1.00 0.00 N ATOM 170 CA MET A 12 -2.162 11.843 -0.282 1.00 0.00 C ATOM 171 C MET A 12 -1.757 13.286 -0.568 1.00 0.00 C ATOM 172 O MET A 12 -1.315 13.618 -1.666 1.00 0.00 O ATOM 173 CB MET A 12 -1.136 10.836 -0.819 1.00 0.00 C ATOM 174 CG MET A 12 -1.533 9.403 -0.444 1.00 0.00 C ATOM 175 SD MET A 12 -0.224 8.159 -0.598 1.00 0.00 S ATOM 176 CE MET A 12 0.136 8.271 -2.362 1.00 0.00 C ATOM 0 H MET A 12 -3.444 11.128 -1.770 1.00 0.00 H new ATOM 0 HA MET A 12 -2.202 11.681 0.795 1.00 0.00 H new ATOM 0 HB2 MET A 12 -1.064 10.926 -1.903 1.00 0.00 H new ATOM 0 HB3 MET A 12 -0.150 11.063 -0.414 1.00 0.00 H new ATOM 0 HG2 MET A 12 -1.890 9.402 0.586 1.00 0.00 H new ATOM 0 HG3 MET A 12 -2.371 9.102 -1.072 1.00 0.00 H new ATOM 0 HE1 MET A 12 0.441 7.293 -2.734 1.00 0.00 H new ATOM 0 HE2 MET A 12 -0.756 8.600 -2.895 1.00 0.00 H new ATOM 0 HE3 MET A 12 0.941 8.988 -2.524 1.00 0.00 H new ATOM 186 N THR A 13 -1.946 14.137 0.443 1.00 0.00 N ATOM 187 CA THR A 13 -1.851 15.583 0.343 1.00 0.00 C ATOM 188 C THR A 13 -0.403 16.054 0.484 1.00 0.00 C ATOM 189 O THR A 13 -0.012 17.012 -0.182 1.00 0.00 O ATOM 190 CB THR A 13 -2.764 16.199 1.415 1.00 0.00 C ATOM 191 OG1 THR A 13 -4.085 15.718 1.244 1.00 0.00 O ATOM 192 CG2 THR A 13 -2.796 17.729 1.335 1.00 0.00 C ATOM 0 H THR A 13 -2.177 13.820 1.385 1.00 0.00 H new ATOM 0 HA THR A 13 -2.181 15.912 -0.642 1.00 0.00 H new ATOM 0 HB THR A 13 -2.363 15.911 2.387 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.667 16.109 1.929 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.454 18.120 2.111 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.790 18.122 1.480 1.00 0.00 H new ATOM 0 HG23 THR A 13 -3.167 18.035 0.357 1.00 0.00 H new ATOM 200 N CYS A 14 0.393 15.395 1.336 1.00 0.00 N ATOM 201 CA CYS A 14 1.800 15.745 1.528 1.00 0.00 C ATOM 202 C CYS A 14 2.594 14.519 1.991 1.00 0.00 C ATOM 203 O CYS A 14 2.035 13.435 2.159 1.00 0.00 O ATOM 204 CB CYS A 14 1.930 16.925 2.509 1.00 0.00 C ATOM 205 SG CYS A 14 1.672 16.435 4.226 1.00 0.00 S ATOM 0 H CYS A 14 0.079 14.610 1.907 1.00 0.00 H new ATOM 0 HA CYS A 14 2.223 16.067 0.576 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.920 17.369 2.407 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.206 17.695 2.243 1.00 0.00 H new ATOM 0 HG CYS A 14 1.798 17.474 4.997 1.00 0.00 H new ATOM 210 N ASN A 15 3.904 14.706 2.195 1.00 0.00 N ATOM 211 CA ASN A 15 4.858 13.659 2.552 1.00 0.00 C ATOM 212 C ASN A 15 4.465 12.902 3.825 1.00 0.00 C ATOM 213 O ASN A 15 4.789 11.723 3.953 1.00 0.00 O ATOM 214 CB ASN A 15 6.260 14.262 2.713 1.00 0.00 C ATOM 215 CG ASN A 15 6.815 14.875 1.426 1.00 0.00 C ATOM 216 OD1 ASN A 15 6.210 14.782 0.360 1.00 0.00 O ATOM 217 ND2 ASN A 15 7.983 15.513 1.524 1.00 0.00 N ATOM 0 H ASN A 15 4.340 15.624 2.112 1.00 0.00 H new ATOM 0 HA ASN A 15 4.853 12.934 1.738 1.00 0.00 H new ATOM 0 HB2 ASN A 15 6.230 15.029 3.487 1.00 0.00 H new ATOM 0 HB3 ASN A 15 6.942 13.486 3.060 1.00 0.00 H new ATOM 0 HD21 ASN A 15 8.400 15.942 0.698 1.00 0.00 H new ATOM 0 HD22 ASN A 15 8.458 15.571 2.425 1.00 0.00 H new ATOM 224 N SER A 16 3.774 13.560 4.763 1.00 0.00 N ATOM 225 CA SER A 16 3.274 12.933 5.980 1.00 0.00 C ATOM 226 C SER A 16 2.398 11.719 5.659 1.00 0.00 C ATOM 227 O SER A 16 2.542 10.676 6.296 1.00 0.00 O ATOM 228 CB SER A 16 2.498 13.957 6.812 1.00 0.00 C ATOM 229 OG SER A 16 3.300 15.095 7.050 1.00 0.00 O ATOM 0 H SER A 16 3.547 14.552 4.693 1.00 0.00 H new ATOM 0 HA SER A 16 4.126 12.578 6.560 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.587 14.247 6.289 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.194 13.512 7.759 1.00 0.00 H new ATOM 0 HG SER A 16 3.095 15.785 6.385 1.00 0.00 H new ATOM 235 N CYS A 17 1.504 11.848 4.669 1.00 0.00 N ATOM 236 CA CYS A 17 0.641 10.757 4.237 1.00 0.00 C ATOM 237 C CYS A 17 1.492 9.603 3.713 1.00 0.00 C ATOM 238 O CYS A 17 1.343 8.474 4.172 1.00 0.00 O ATOM 239 CB CYS A 17 -0.339 11.225 3.158 1.00 0.00 C ATOM 240 SG CYS A 17 -1.420 12.598 3.624 1.00 0.00 S ATOM 0 H CYS A 17 1.364 12.715 4.150 1.00 0.00 H new ATOM 0 HA CYS A 17 0.060 10.416 5.094 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.232 11.519 2.277 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.962 10.379 2.867 1.00 0.00 H new ATOM 245 N VAL A 18 2.389 9.902 2.764 1.00 0.00 N ATOM 246 CA VAL A 18 3.286 8.936 2.142 1.00 0.00 C ATOM 247 C VAL A 18 4.003 8.115 3.216 1.00 0.00 C ATOM 248 O VAL A 18 3.922 6.888 3.217 1.00 0.00 O ATOM 249 CB VAL A 18 4.288 9.667 1.225 1.00 0.00 C ATOM 250 CG1 VAL A 18 5.307 8.707 0.600 1.00 0.00 C ATOM 251 CG2 VAL A 18 3.566 10.403 0.091 1.00 0.00 C ATOM 0 H VAL A 18 2.509 10.848 2.403 1.00 0.00 H new ATOM 0 HA VAL A 18 2.708 8.246 1.528 1.00 0.00 H new ATOM 0 HB VAL A 18 4.813 10.380 1.861 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.991 9.267 -0.037 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.871 8.210 1.390 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.784 7.960 0.003 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.298 10.909 -0.539 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.005 9.686 -0.509 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.881 11.138 0.513 1.00 0.00 H new ATOM 261 N GLN A 19 4.696 8.805 4.129 1.00 0.00 N ATOM 262 CA GLN A 19 5.503 8.191 5.169 1.00 0.00 C ATOM 263 C GLN A 19 4.648 7.362 6.129 1.00 0.00 C ATOM 264 O GLN A 19 5.019 6.233 6.447 1.00 0.00 O ATOM 265 CB GLN A 19 6.291 9.281 5.909 1.00 0.00 C ATOM 266 CG GLN A 19 7.202 8.732 7.017 1.00 0.00 C ATOM 267 CD GLN A 19 8.265 7.771 6.485 1.00 0.00 C ATOM 268 OE1 GLN A 19 9.373 8.189 6.159 1.00 0.00 O ATOM 269 NE2 GLN A 19 7.937 6.479 6.400 1.00 0.00 N ATOM 0 H GLN A 19 4.706 9.824 4.159 1.00 0.00 H new ATOM 0 HA GLN A 19 6.207 7.499 4.708 1.00 0.00 H new ATOM 0 HB2 GLN A 19 6.898 9.831 5.190 1.00 0.00 H new ATOM 0 HB3 GLN A 19 5.590 9.993 6.345 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.691 9.563 7.525 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.593 8.218 7.761 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.006 6.170 6.680 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.617 5.802 6.055 1.00 0.00 H new ATOM 278 N SER A 20 3.521 7.913 6.599 1.00 0.00 N ATOM 279 CA SER A 20 2.655 7.236 7.556 1.00 0.00 C ATOM 280 C SER A 20 2.115 5.926 6.976 1.00 0.00 C ATOM 281 O SER A 20 2.220 4.888 7.625 1.00 0.00 O ATOM 282 CB SER A 20 1.531 8.165 8.029 1.00 0.00 C ATOM 283 OG SER A 20 0.711 8.572 6.956 1.00 0.00 O ATOM 0 H SER A 20 3.190 8.838 6.324 1.00 0.00 H new ATOM 0 HA SER A 20 3.248 6.977 8.433 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.926 7.654 8.777 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.962 9.042 8.512 1.00 0.00 H new ATOM 0 HG SER A 20 1.142 9.310 6.477 1.00 0.00 H new ATOM 289 N ILE A 21 1.561 5.970 5.758 1.00 0.00 N ATOM 290 CA ILE A 21 1.078 4.787 5.055 1.00 0.00 C ATOM 291 C ILE A 21 2.214 3.770 4.942 1.00 0.00 C ATOM 292 O ILE A 21 2.055 2.628 5.366 1.00 0.00 O ATOM 293 CB ILE A 21 0.526 5.165 3.667 1.00 0.00 C ATOM 294 CG1 ILE A 21 -0.709 6.079 3.785 1.00 0.00 C ATOM 295 CG2 ILE A 21 0.144 3.902 2.877 1.00 0.00 C ATOM 296 CD1 ILE A 21 -0.952 6.831 2.473 1.00 0.00 C ATOM 0 H ILE A 21 1.437 6.836 5.234 1.00 0.00 H new ATOM 0 HA ILE A 21 0.259 4.340 5.618 1.00 0.00 H new ATOM 0 HB ILE A 21 1.313 5.704 3.139 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.586 5.483 4.036 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.564 6.791 4.597 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.244 4.188 1.899 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.025 3.273 2.748 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.620 3.349 3.423 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.828 7.471 2.577 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.081 7.443 2.238 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.119 6.115 1.669 1.00 0.00 H new ATOM 308 N GLU A 22 3.351 4.188 4.373 1.00 0.00 N ATOM 309 CA GLU A 22 4.496 3.325 4.123 1.00 0.00 C ATOM 310 C GLU A 22 4.912 2.578 5.394 1.00 0.00 C ATOM 311 O GLU A 22 4.986 1.351 5.394 1.00 0.00 O ATOM 312 CB GLU A 22 5.636 4.165 3.530 1.00 0.00 C ATOM 313 CG GLU A 22 6.771 3.296 2.984 1.00 0.00 C ATOM 314 CD GLU A 22 7.755 4.136 2.176 1.00 0.00 C ATOM 315 OE1 GLU A 22 7.515 4.272 0.956 1.00 0.00 O ATOM 316 OE2 GLU A 22 8.723 4.631 2.793 1.00 0.00 O ATOM 0 H GLU A 22 3.497 5.151 4.071 1.00 0.00 H new ATOM 0 HA GLU A 22 4.228 2.556 3.398 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.244 4.793 2.730 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.029 4.834 4.296 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.292 2.810 3.809 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.360 2.505 2.357 1.00 0.00 H new ATOM 323 N GLY A 23 5.161 3.323 6.478 1.00 0.00 N ATOM 324 CA GLY A 23 5.594 2.783 7.757 1.00 0.00 C ATOM 325 C GLY A 23 4.571 1.820 8.361 1.00 0.00 C ATOM 326 O GLY A 23 4.925 0.703 8.732 1.00 0.00 O ATOM 0 H GLY A 23 5.063 4.338 6.483 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.544 2.264 7.626 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.772 3.603 8.453 1.00 0.00 H new ATOM 330 N VAL A 24 3.309 2.251 8.473 1.00 0.00 N ATOM 331 CA VAL A 24 2.259 1.479 9.127 1.00 0.00 C ATOM 332 C VAL A 24 1.984 0.174 8.372 1.00 0.00 C ATOM 333 O VAL A 24 1.946 -0.891 8.986 1.00 0.00 O ATOM 334 CB VAL A 24 1.000 2.347 9.303 1.00 0.00 C ATOM 335 CG1 VAL A 24 -0.188 1.520 9.807 1.00 0.00 C ATOM 336 CG2 VAL A 24 1.267 3.462 10.326 1.00 0.00 C ATOM 0 H VAL A 24 2.991 3.149 8.109 1.00 0.00 H new ATOM 0 HA VAL A 24 2.593 1.188 10.123 1.00 0.00 H new ATOM 0 HB VAL A 24 0.760 2.766 8.326 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.059 2.166 9.920 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.412 0.730 9.090 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.061 1.075 10.771 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.370 4.070 10.443 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.533 3.019 11.286 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.087 4.088 9.976 1.00 0.00 H new ATOM 346 N ILE A 25 1.797 0.249 7.049 1.00 0.00 N ATOM 347 CA ILE A 25 1.493 -0.910 6.218 1.00 0.00 C ATOM 348 C ILE A 25 2.661 -1.908 6.207 1.00 0.00 C ATOM 349 O ILE A 25 2.419 -3.113 6.154 1.00 0.00 O ATOM 350 CB ILE A 25 1.076 -0.462 4.804 1.00 0.00 C ATOM 351 CG1 ILE A 25 -0.178 0.438 4.802 1.00 0.00 C ATOM 352 CG2 ILE A 25 0.861 -1.664 3.872 1.00 0.00 C ATOM 353 CD1 ILE A 25 -1.483 -0.273 5.169 1.00 0.00 C ATOM 0 H ILE A 25 1.854 1.123 6.527 1.00 0.00 H new ATOM 0 HA ILE A 25 0.644 -1.440 6.650 1.00 0.00 H new ATOM 0 HB ILE A 25 1.906 0.135 4.427 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.019 1.259 5.502 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.288 0.880 3.812 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.568 -1.310 2.884 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.787 -2.234 3.794 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.075 -2.302 4.277 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.307 0.440 5.140 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.673 -1.075 4.456 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.400 -0.691 6.172 1.00 0.00 H new ATOM 365 N SER A 26 3.915 -1.432 6.278 1.00 0.00 N ATOM 366 CA SER A 26 5.101 -2.289 6.329 1.00 0.00 C ATOM 367 C SER A 26 5.044 -3.335 7.453 1.00 0.00 C ATOM 368 O SER A 26 5.690 -4.375 7.347 1.00 0.00 O ATOM 369 CB SER A 26 6.370 -1.436 6.461 1.00 0.00 C ATOM 370 OG SER A 26 7.527 -2.238 6.337 1.00 0.00 O ATOM 0 H SER A 26 4.131 -0.435 6.302 1.00 0.00 H new ATOM 0 HA SER A 26 5.125 -2.841 5.390 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.375 -0.661 5.694 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.375 -0.929 7.426 1.00 0.00 H new ATOM 0 HG SER A 26 8.325 -1.676 6.422 1.00 0.00 H new ATOM 376 N LYS A 27 4.275 -3.075 8.520 1.00 0.00 N ATOM 377 CA LYS A 27 4.253 -3.908 9.716 1.00 0.00 C ATOM 378 C LYS A 27 3.224 -5.041 9.612 1.00 0.00 C ATOM 379 O LYS A 27 3.205 -5.915 10.477 1.00 0.00 O ATOM 380 CB LYS A 27 3.931 -3.026 10.931 1.00 0.00 C ATOM 381 CG LYS A 27 5.016 -1.971 11.190 1.00 0.00 C ATOM 382 CD LYS A 27 4.555 -0.854 12.138 1.00 0.00 C ATOM 383 CE LYS A 27 4.136 -1.344 13.530 1.00 0.00 C ATOM 384 NZ LYS A 27 2.735 -1.802 13.569 1.00 0.00 N ATOM 0 H LYS A 27 3.648 -2.272 8.571 1.00 0.00 H new ATOM 0 HA LYS A 27 5.234 -4.370 9.826 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.974 -2.528 10.772 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.821 -3.655 11.814 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.895 -2.458 11.612 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.321 -1.531 10.240 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.362 -0.130 12.248 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.716 -0.329 11.682 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.790 -2.160 13.837 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.272 -0.538 14.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.302 -1.519 14.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.207 -1.373 12.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.706 -2.838 13.481 1.00 0.00 H new ATOM 398 N LYS A 28 2.374 -5.049 8.575 1.00 0.00 N ATOM 399 CA LYS A 28 1.372 -6.092 8.386 1.00 0.00 C ATOM 400 C LYS A 28 2.073 -7.371 7.910 1.00 0.00 C ATOM 401 O LYS A 28 2.827 -7.305 6.940 1.00 0.00 O ATOM 402 CB LYS A 28 0.316 -5.637 7.367 1.00 0.00 C ATOM 403 CG LYS A 28 -0.782 -4.758 7.984 1.00 0.00 C ATOM 404 CD LYS A 28 -0.232 -3.615 8.842 1.00 0.00 C ATOM 405 CE LYS A 28 -1.344 -2.653 9.257 1.00 0.00 C ATOM 406 NZ LYS A 28 -0.835 -1.656 10.211 1.00 0.00 N ATOM 0 H LYS A 28 2.367 -4.332 7.849 1.00 0.00 H new ATOM 0 HA LYS A 28 0.862 -6.290 9.329 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.808 -5.084 6.566 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.143 -6.515 6.913 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.395 -4.341 7.185 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.435 -5.380 8.596 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.250 -4.023 9.730 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.532 -3.073 8.285 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.745 -2.151 8.377 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.165 -3.210 9.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.497 -0.855 10.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.744 -2.090 11.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.096 -1.316 9.895 1.00 0.00 H new ATOM 420 N PRO A 29 1.843 -8.528 8.563 1.00 0.00 N ATOM 421 CA PRO A 29 2.384 -9.814 8.144 1.00 0.00 C ATOM 422 C PRO A 29 2.201 -10.058 6.647 1.00 0.00 C ATOM 423 O PRO A 29 1.121 -9.820 6.107 1.00 0.00 O ATOM 424 CB PRO A 29 1.643 -10.867 8.971 1.00 0.00 C ATOM 425 CG PRO A 29 1.333 -10.116 10.263 1.00 0.00 C ATOM 426 CD PRO A 29 1.049 -8.697 9.771 1.00 0.00 C ATOM 0 HA PRO A 29 3.460 -9.853 8.312 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.736 -11.209 8.473 1.00 0.00 H new ATOM 0 HB3 PRO A 29 2.259 -11.748 9.152 1.00 0.00 H new ATOM 0 HG2 PRO A 29 0.475 -10.543 10.783 1.00 0.00 H new ATOM 0 HG3 PRO A 29 2.173 -10.143 10.958 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -0.012 -8.561 9.563 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.323 -7.960 10.525 1.00 0.00 H new ATOM 434 N GLY A 30 3.266 -10.518 5.983 1.00 0.00 N ATOM 435 CA GLY A 30 3.284 -10.744 4.549 1.00 0.00 C ATOM 436 C GLY A 30 4.029 -9.634 3.819 1.00 0.00 C ATOM 437 O GLY A 30 4.788 -9.930 2.899 1.00 0.00 O ATOM 0 H GLY A 30 4.149 -10.745 6.441 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.758 -11.702 4.336 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.262 -10.804 4.176 1.00 0.00 H new ATOM 441 N VAL A 31 3.814 -8.370 4.214 1.00 0.00 N ATOM 442 CA VAL A 31 4.447 -7.223 3.576 1.00 0.00 C ATOM 443 C VAL A 31 5.950 -7.251 3.846 1.00 0.00 C ATOM 444 O VAL A 31 6.369 -7.404 4.992 1.00 0.00 O ATOM 445 CB VAL A 31 3.823 -5.900 4.054 1.00 0.00 C ATOM 446 CG1 VAL A 31 4.470 -4.711 3.327 1.00 0.00 C ATOM 447 CG2 VAL A 31 2.317 -5.880 3.772 1.00 0.00 C ATOM 0 H VAL A 31 3.195 -8.122 4.986 1.00 0.00 H new ATOM 0 HA VAL A 31 4.279 -7.286 2.501 1.00 0.00 H new ATOM 0 HB VAL A 31 3.996 -5.819 5.127 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.018 -3.782 3.675 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.540 -4.695 3.536 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.311 -4.811 2.253 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.895 -4.936 4.117 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.146 -5.983 2.700 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.837 -6.706 4.297 1.00 0.00 H new ATOM 457 N LYS A 32 6.748 -7.098 2.782 1.00 0.00 N ATOM 458 CA LYS A 32 8.198 -7.013 2.852 1.00 0.00 C ATOM 459 C LYS A 32 8.595 -5.555 2.624 1.00 0.00 C ATOM 460 O LYS A 32 8.595 -4.771 3.572 1.00 0.00 O ATOM 461 CB LYS A 32 8.827 -7.997 1.853 1.00 0.00 C ATOM 462 CG LYS A 32 8.452 -9.438 2.222 1.00 0.00 C ATOM 463 CD LYS A 32 9.241 -10.448 1.385 1.00 0.00 C ATOM 464 CE LYS A 32 8.827 -11.873 1.765 1.00 0.00 C ATOM 465 NZ LYS A 32 9.671 -12.875 1.094 1.00 0.00 N ATOM 0 H LYS A 32 6.388 -7.029 1.830 1.00 0.00 H new ATOM 0 HA LYS A 32 8.577 -7.308 3.831 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.483 -7.771 0.844 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.911 -7.884 1.854 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.648 -9.608 3.281 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.384 -9.589 2.067 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.058 -10.277 0.324 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.310 -10.314 1.549 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.900 -11.999 2.845 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.783 -12.035 1.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.212 -13.807 1.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.800 -12.609 0.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.598 -12.918 1.563 1.00 0.00 H new ATOM 479 N SER A 33 8.914 -5.183 1.378 1.00 0.00 N ATOM 480 CA SER A 33 9.193 -3.807 0.998 1.00 0.00 C ATOM 481 C SER A 33 7.894 -3.124 0.566 1.00 0.00 C ATOM 482 O SER A 33 6.945 -3.781 0.143 1.00 0.00 O ATOM 483 CB SER A 33 10.248 -3.783 -0.113 1.00 0.00 C ATOM 484 OG SER A 33 9.846 -4.592 -1.196 1.00 0.00 O ATOM 0 H SER A 33 8.984 -5.842 0.603 1.00 0.00 H new ATOM 0 HA SER A 33 9.595 -3.256 1.848 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.402 -2.759 -0.454 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.203 -4.136 0.277 1.00 0.00 H new ATOM 0 HG SER A 33 10.585 -5.180 -1.457 1.00 0.00 H new ATOM 490 N ILE A 34 7.856 -1.794 0.684 1.00 0.00 N ATOM 491 CA ILE A 34 6.718 -0.981 0.289 1.00 0.00 C ATOM 492 C ILE A 34 7.225 0.394 -0.142 1.00 0.00 C ATOM 493 O ILE A 34 8.091 0.973 0.513 1.00 0.00 O ATOM 494 CB ILE A 34 5.653 -0.935 1.400 1.00 0.00 C ATOM 495 CG1 ILE A 34 4.566 0.082 1.014 1.00 0.00 C ATOM 496 CG2 ILE A 34 6.249 -0.642 2.785 1.00 0.00 C ATOM 497 CD1 ILE A 34 3.321 -0.003 1.896 1.00 0.00 C ATOM 0 H ILE A 34 8.631 -1.250 1.063 1.00 0.00 H new ATOM 0 HA ILE A 34 6.209 -1.426 -0.566 1.00 0.00 H new ATOM 0 HB ILE A 34 5.204 -1.925 1.485 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.980 1.088 1.077 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.279 -0.080 -0.025 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.451 -0.622 3.528 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.967 -1.420 3.044 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.753 0.324 2.767 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.593 0.741 1.571 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.884 -0.998 1.814 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.596 0.188 2.933 1.00 0.00 H new ATOM 509 N ARG A 35 6.691 0.888 -1.266 1.00 0.00 N ATOM 510 CA ARG A 35 7.181 2.064 -1.967 1.00 0.00 C ATOM 511 C ARG A 35 5.986 2.974 -2.270 1.00 0.00 C ATOM 512 O ARG A 35 5.311 2.789 -3.283 1.00 0.00 O ATOM 513 CB ARG A 35 7.890 1.608 -3.256 1.00 0.00 C ATOM 514 CG ARG A 35 8.915 0.481 -3.043 1.00 0.00 C ATOM 515 CD ARG A 35 9.370 -0.083 -4.394 1.00 0.00 C ATOM 516 NE ARG A 35 10.009 -1.400 -4.254 1.00 0.00 N ATOM 517 CZ ARG A 35 9.357 -2.566 -4.093 1.00 0.00 C ATOM 518 NH1 ARG A 35 8.030 -2.601 -3.899 1.00 0.00 N ATOM 519 NH2 ARG A 35 10.046 -3.714 -4.132 1.00 0.00 N ATOM 0 H ARG A 35 5.883 0.462 -1.720 1.00 0.00 H new ATOM 0 HA ARG A 35 7.898 2.622 -1.364 1.00 0.00 H new ATOM 0 HB2 ARG A 35 7.139 1.272 -3.971 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.395 2.464 -3.703 1.00 0.00 H new ATOM 0 HG2 ARG A 35 9.775 0.861 -2.491 1.00 0.00 H new ATOM 0 HG3 ARG A 35 8.474 -0.312 -2.439 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.511 -0.166 -5.060 1.00 0.00 H new ATOM 0 HD3 ARG A 35 10.069 0.611 -4.860 1.00 0.00 H new ATOM 0 HE ARG A 35 11.028 -1.432 -4.281 1.00 0.00 H new ATOM 0 HH11 ARG A 35 7.496 -1.733 -3.871 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.556 -3.496 -3.779 1.00 0.00 H new ATOM 0 HH21 ARG A 35 11.055 -3.699 -4.283 1.00 0.00 H new ATOM 0 HH22 ARG A 35 9.562 -4.604 -4.011 1.00 0.00 H new ATOM 533 N VAL A 36 5.716 3.945 -1.387 1.00 0.00 N ATOM 534 CA VAL A 36 4.612 4.889 -1.535 1.00 0.00 C ATOM 535 C VAL A 36 5.130 6.171 -2.194 1.00 0.00 C ATOM 536 O VAL A 36 6.249 6.598 -1.913 1.00 0.00 O ATOM 537 CB VAL A 36 3.931 5.147 -0.177 1.00 0.00 C ATOM 538 CG1 VAL A 36 2.638 5.956 -0.349 1.00 0.00 C ATOM 539 CG2 VAL A 36 3.562 3.829 0.515 1.00 0.00 C ATOM 0 H VAL A 36 6.267 4.094 -0.542 1.00 0.00 H new ATOM 0 HA VAL A 36 3.845 4.468 -2.185 1.00 0.00 H new ATOM 0 HB VAL A 36 4.646 5.705 0.428 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.180 6.122 0.626 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.868 6.916 -0.810 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.946 5.405 -0.985 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.083 4.042 1.471 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.876 3.266 -0.117 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.465 3.242 0.684 1.00 0.00 H new ATOM 549 N SER A 37 4.323 6.770 -3.080 1.00 0.00 N ATOM 550 CA SER A 37 4.700 7.937 -3.867 1.00 0.00 C ATOM 551 C SER A 37 3.493 8.853 -4.068 1.00 0.00 C ATOM 552 O SER A 37 2.460 8.410 -4.566 1.00 0.00 O ATOM 553 CB SER A 37 5.255 7.469 -5.217 1.00 0.00 C ATOM 554 OG SER A 37 5.456 8.568 -6.084 1.00 0.00 O ATOM 0 H SER A 37 3.374 6.446 -3.268 1.00 0.00 H new ATOM 0 HA SER A 37 5.467 8.504 -3.339 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.197 6.942 -5.065 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.564 6.761 -5.674 1.00 0.00 H new ATOM 0 HG SER A 37 5.956 8.274 -6.874 1.00 0.00 H new ATOM 560 N LEU A 38 3.644 10.132 -3.699 1.00 0.00 N ATOM 561 CA LEU A 38 2.675 11.192 -3.958 1.00 0.00 C ATOM 562 C LEU A 38 2.666 11.541 -5.445 1.00 0.00 C ATOM 563 O LEU A 38 1.596 11.691 -6.032 1.00 0.00 O ATOM 564 CB LEU A 38 3.002 12.403 -3.073 1.00 0.00 C ATOM 565 CG LEU A 38 1.929 13.505 -3.117 1.00 0.00 C ATOM 566 CD1 LEU A 38 1.864 14.196 -1.751 1.00 0.00 C ATOM 567 CD2 LEU A 38 2.227 14.560 -4.190 1.00 0.00 C ATOM 0 H LEU A 38 4.469 10.462 -3.198 1.00 0.00 H new ATOM 0 HA LEU A 38 1.669 10.856 -3.705 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.124 12.067 -2.043 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.957 12.825 -3.387 1.00 0.00 H new ATOM 0 HG LEU A 38 0.979 13.032 -3.364 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.105 14.978 -1.775 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.607 13.464 -0.985 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.833 14.637 -1.520 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.443 15.317 -4.184 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.188 15.031 -3.981 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.263 14.083 -5.169 1.00 0.00 H new ATOM 579 N ALA A 39 3.857 11.658 -6.049 1.00 0.00 N ATOM 580 CA ALA A 39 4.035 11.961 -7.465 1.00 0.00 C ATOM 581 C ALA A 39 3.222 11.011 -8.347 1.00 0.00 C ATOM 582 O ALA A 39 2.582 11.451 -9.300 1.00 0.00 O ATOM 583 CB ALA A 39 5.522 11.890 -7.819 1.00 0.00 C ATOM 0 H ALA A 39 4.739 11.541 -5.550 1.00 0.00 H new ATOM 0 HA ALA A 39 3.668 12.970 -7.653 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.655 12.116 -8.877 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.074 12.615 -7.220 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.898 10.888 -7.612 1.00 0.00 H new ATOM 589 N ASN A 40 3.237 9.715 -8.012 1.00 0.00 N ATOM 590 CA ASN A 40 2.475 8.690 -8.716 1.00 0.00 C ATOM 591 C ASN A 40 1.076 8.527 -8.110 1.00 0.00 C ATOM 592 O ASN A 40 0.187 8.000 -8.776 1.00 0.00 O ATOM 593 CB ASN A 40 3.221 7.355 -8.632 1.00 0.00 C ATOM 594 CG ASN A 40 4.639 7.405 -9.196 1.00 0.00 C ATOM 595 OD1 ASN A 40 4.964 8.247 -10.030 1.00 0.00 O ATOM 596 ND2 ASN A 40 5.496 6.493 -8.733 1.00 0.00 N ATOM 0 H ASN A 40 3.787 9.350 -7.234 1.00 0.00 H new ATOM 0 HA ASN A 40 2.367 8.997 -9.756 1.00 0.00 H new ATOM 0 HB2 ASN A 40 3.265 7.039 -7.590 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.652 6.597 -9.171 1.00 0.00 H new ATOM 0 HD21 ASN A 40 6.458 6.479 -9.072 1.00 0.00 H new ATOM 0 HD22 ASN A 40 5.189 5.810 -8.041 1.00 0.00 H new ATOM 603 N SER A 41 0.887 8.959 -6.855 1.00 0.00 N ATOM 604 CA SER A 41 -0.332 8.794 -6.075 1.00 0.00 C ATOM 605 C SER A 41 -0.679 7.310 -5.957 1.00 0.00 C ATOM 606 O SER A 41 -1.782 6.893 -6.306 1.00 0.00 O ATOM 607 CB SER A 41 -1.474 9.647 -6.646 1.00 0.00 C ATOM 608 OG SER A 41 -1.143 11.018 -6.553 1.00 0.00 O ATOM 0 H SER A 41 1.616 9.453 -6.340 1.00 0.00 H new ATOM 0 HA SER A 41 -0.169 9.162 -5.062 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.656 9.378 -7.686 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.396 9.449 -6.100 1.00 0.00 H new ATOM 0 HG SER A 41 -0.198 11.111 -6.309 1.00 0.00 H new ATOM 614 N ASN A 42 0.280 6.513 -5.467 1.00 0.00 N ATOM 615 CA ASN A 42 0.127 5.071 -5.344 1.00 0.00 C ATOM 616 C ASN A 42 1.021 4.489 -4.249 1.00 0.00 C ATOM 617 O ASN A 42 1.880 5.177 -3.699 1.00 0.00 O ATOM 618 CB ASN A 42 0.346 4.384 -6.706 1.00 0.00 C ATOM 619 CG ASN A 42 1.789 4.396 -7.217 1.00 0.00 C ATOM 620 OD1 ASN A 42 2.716 4.829 -6.536 1.00 0.00 O ATOM 621 ND2 ASN A 42 1.985 3.906 -8.442 1.00 0.00 N ATOM 0 H ASN A 42 1.184 6.859 -5.146 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.898 4.869 -5.034 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.013 3.349 -6.631 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.289 4.870 -7.447 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.925 3.883 -8.838 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.195 3.554 -8.983 1.00 0.00 H new ATOM 628 N GLY A 43 0.795 3.203 -3.962 1.00 0.00 N ATOM 629 CA GLY A 43 1.562 2.375 -3.054 1.00 0.00 C ATOM 630 C GLY A 43 1.896 1.071 -3.768 1.00 0.00 C ATOM 631 O GLY A 43 0.994 0.295 -4.079 1.00 0.00 O ATOM 0 H GLY A 43 0.023 2.691 -4.388 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.475 2.887 -2.751 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.992 2.177 -2.146 1.00 0.00 H new ATOM 635 N THR A 44 3.190 0.842 -4.024 1.00 0.00 N ATOM 636 CA THR A 44 3.696 -0.366 -4.657 1.00 0.00 C ATOM 637 C THR A 44 4.221 -1.268 -3.543 1.00 0.00 C ATOM 638 O THR A 44 5.349 -1.104 -3.078 1.00 0.00 O ATOM 639 CB THR A 44 4.760 0.001 -5.702 1.00 0.00 C ATOM 640 OG1 THR A 44 4.173 0.822 -6.692 1.00 0.00 O ATOM 641 CG2 THR A 44 5.353 -1.244 -6.369 1.00 0.00 C ATOM 0 H THR A 44 3.924 1.510 -3.789 1.00 0.00 H new ATOM 0 HA THR A 44 2.921 -0.904 -5.202 1.00 0.00 H new ATOM 0 HB THR A 44 5.567 0.528 -5.193 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.848 1.061 -7.361 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.102 -0.943 -7.102 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.819 -1.875 -5.612 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.561 -1.802 -6.868 1.00 0.00 H new ATOM 649 N VAL A 45 3.366 -2.201 -3.107 1.00 0.00 N ATOM 650 CA VAL A 45 3.575 -3.048 -1.944 1.00 0.00 C ATOM 651 C VAL A 45 4.047 -4.424 -2.406 1.00 0.00 C ATOM 652 O VAL A 45 3.338 -5.083 -3.164 1.00 0.00 O ATOM 653 CB VAL A 45 2.266 -3.175 -1.140 1.00 0.00 C ATOM 654 CG1 VAL A 45 2.559 -3.818 0.222 1.00 0.00 C ATOM 655 CG2 VAL A 45 1.568 -1.824 -0.928 1.00 0.00 C ATOM 0 H VAL A 45 2.480 -2.387 -3.577 1.00 0.00 H new ATOM 0 HA VAL A 45 4.333 -2.603 -1.300 1.00 0.00 H new ATOM 0 HB VAL A 45 1.590 -3.802 -1.722 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.632 -3.907 0.789 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.989 -4.808 0.072 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.264 -3.196 0.774 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.652 -1.973 -0.356 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.231 -1.153 -0.382 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.324 -1.385 -1.895 1.00 0.00 H new ATOM 665 N GLU A 46 5.223 -4.860 -1.937 1.00 0.00 N ATOM 666 CA GLU A 46 5.721 -6.216 -2.122 1.00 0.00 C ATOM 667 C GLU A 46 5.226 -7.046 -0.939 1.00 0.00 C ATOM 668 O GLU A 46 5.402 -6.633 0.207 1.00 0.00 O ATOM 669 CB GLU A 46 7.250 -6.187 -2.182 1.00 0.00 C ATOM 670 CG GLU A 46 7.838 -7.536 -2.603 1.00 0.00 C ATOM 671 CD GLU A 46 9.361 -7.464 -2.637 1.00 0.00 C ATOM 672 OE1 GLU A 46 9.876 -6.770 -3.542 1.00 0.00 O ATOM 673 OE2 GLU A 46 9.983 -8.096 -1.756 1.00 0.00 O ATOM 0 H GLU A 46 5.862 -4.264 -1.410 1.00 0.00 H new ATOM 0 HA GLU A 46 5.362 -6.655 -3.053 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.570 -5.418 -2.885 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.645 -5.910 -1.205 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.520 -8.312 -1.907 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.459 -7.815 -3.586 1.00 0.00 H new ATOM 680 N TYR A 47 4.590 -8.193 -1.208 1.00 0.00 N ATOM 681 CA TYR A 47 3.883 -8.958 -0.191 1.00 0.00 C ATOM 682 C TYR A 47 3.879 -10.457 -0.491 1.00 0.00 C ATOM 683 O TYR A 47 4.162 -10.870 -1.613 1.00 0.00 O ATOM 684 CB TYR A 47 2.445 -8.435 -0.070 1.00 0.00 C ATOM 685 CG TYR A 47 1.544 -8.816 -1.233 1.00 0.00 C ATOM 686 CD1 TYR A 47 1.707 -8.210 -2.493 1.00 0.00 C ATOM 687 CD2 TYR A 47 0.547 -9.792 -1.059 1.00 0.00 C ATOM 688 CE1 TYR A 47 0.913 -8.612 -3.579 1.00 0.00 C ATOM 689 CE2 TYR A 47 -0.291 -10.147 -2.130 1.00 0.00 C ATOM 690 CZ TYR A 47 -0.088 -9.581 -3.399 1.00 0.00 C ATOM 691 OH TYR A 47 -0.858 -9.976 -4.453 1.00 0.00 O ATOM 0 H TYR A 47 4.555 -8.611 -2.138 1.00 0.00 H new ATOM 0 HA TYR A 47 4.409 -8.826 0.755 1.00 0.00 H new ATOM 0 HB2 TYR A 47 2.008 -8.816 0.853 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.471 -7.349 0.014 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.445 -7.433 -2.625 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.425 -10.271 -0.099 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.072 -8.176 -4.554 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.092 -10.856 -1.977 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.500 -10.653 -4.153 1.00 0.00 H new ATOM 701 N ASP A 48 3.528 -11.258 0.524 1.00 0.00 N ATOM 702 CA ASP A 48 3.286 -12.690 0.404 1.00 0.00 C ATOM 703 C ASP A 48 1.768 -12.937 0.366 1.00 0.00 C ATOM 704 O ASP A 48 1.103 -12.699 1.376 1.00 0.00 O ATOM 705 CB ASP A 48 3.944 -13.416 1.587 1.00 0.00 C ATOM 706 CG ASP A 48 3.942 -14.941 1.444 1.00 0.00 C ATOM 707 OD1 ASP A 48 3.027 -15.471 0.777 1.00 0.00 O ATOM 708 OD2 ASP A 48 4.866 -15.558 2.017 1.00 0.00 O ATOM 0 H ASP A 48 3.403 -10.912 1.475 1.00 0.00 H new ATOM 0 HA ASP A 48 3.722 -13.079 -0.516 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.972 -13.070 1.689 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.423 -13.144 2.505 1.00 0.00 H new ATOM 713 N PRO A 49 1.212 -13.420 -0.763 1.00 0.00 N ATOM 714 CA PRO A 49 -0.190 -13.804 -0.908 1.00 0.00 C ATOM 715 C PRO A 49 -0.748 -14.650 0.239 1.00 0.00 C ATOM 716 O PRO A 49 -1.896 -14.466 0.637 1.00 0.00 O ATOM 717 CB PRO A 49 -0.274 -14.569 -2.229 1.00 0.00 C ATOM 718 CG PRO A 49 0.820 -13.910 -3.060 1.00 0.00 C ATOM 719 CD PRO A 49 1.907 -13.628 -2.025 1.00 0.00 C ATOM 0 HA PRO A 49 -0.805 -12.904 -0.890 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.094 -15.635 -2.093 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.254 -14.468 -2.695 1.00 0.00 H new ATOM 0 HG2 PRO A 49 1.177 -14.567 -3.853 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.469 -12.995 -3.538 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.604 -14.463 -1.954 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.489 -12.748 -2.300 1.00 0.00 H new ATOM 727 N LEU A 50 0.061 -15.580 0.760 1.00 0.00 N ATOM 728 CA LEU A 50 -0.347 -16.518 1.798 1.00 0.00 C ATOM 729 C LEU A 50 -0.704 -15.806 3.108 1.00 0.00 C ATOM 730 O LEU A 50 -1.526 -16.314 3.868 1.00 0.00 O ATOM 731 CB LEU A 50 0.767 -17.549 2.039 1.00 0.00 C ATOM 732 CG LEU A 50 1.196 -18.324 0.780 1.00 0.00 C ATOM 733 CD1 LEU A 50 2.402 -19.207 1.118 1.00 0.00 C ATOM 734 CD2 LEU A 50 0.063 -19.196 0.226 1.00 0.00 C ATOM 0 H LEU A 50 1.030 -15.699 0.464 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.246 -17.027 1.450 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.637 -17.037 2.450 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.430 -18.261 2.793 1.00 0.00 H new ATOM 0 HG LEU A 50 1.458 -17.596 0.012 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.710 -19.758 0.229 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.226 -18.581 1.461 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.129 -19.910 1.905 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.411 -19.724 -0.662 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.242 -19.919 0.982 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.786 -18.565 -0.037 1.00 0.00 H new ATOM 746 N LEU A 51 -0.089 -14.646 3.375 1.00 0.00 N ATOM 747 CA LEU A 51 -0.249 -13.904 4.620 1.00 0.00 C ATOM 748 C LEU A 51 -1.246 -12.756 4.442 1.00 0.00 C ATOM 749 O LEU A 51 -2.063 -12.525 5.332 1.00 0.00 O ATOM 750 CB LEU A 51 1.111 -13.355 5.075 1.00 0.00 C ATOM 751 CG LEU A 51 2.040 -14.341 5.805 1.00 0.00 C ATOM 752 CD1 LEU A 51 1.499 -14.731 7.186 1.00 0.00 C ATOM 753 CD2 LEU A 51 2.351 -15.598 4.987 1.00 0.00 C ATOM 0 H LEU A 51 0.544 -14.194 2.715 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.638 -14.580 5.381 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.637 -12.976 4.198 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.933 -12.504 5.732 1.00 0.00 H new ATOM 0 HG LEU A 51 2.977 -13.801 5.939 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.188 -15.428 7.663 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.400 -13.838 7.804 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.524 -15.204 7.074 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.010 -16.251 5.559 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.424 -16.125 4.763 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.841 -15.314 4.056 1.00 0.00 H new ATOM 765 N THR A 52 -1.181 -12.033 3.315 1.00 0.00 N ATOM 766 CA THR A 52 -2.035 -10.881 3.043 1.00 0.00 C ATOM 767 C THR A 52 -2.394 -10.838 1.558 1.00 0.00 C ATOM 768 O THR A 52 -1.676 -11.403 0.738 1.00 0.00 O ATOM 769 CB THR A 52 -1.335 -9.596 3.521 1.00 0.00 C ATOM 770 OG1 THR A 52 -2.216 -8.495 3.456 1.00 0.00 O ATOM 771 CG2 THR A 52 -0.078 -9.262 2.711 1.00 0.00 C ATOM 0 H THR A 52 -0.525 -12.239 2.562 1.00 0.00 H new ATOM 0 HA THR A 52 -2.971 -10.967 3.595 1.00 0.00 H new ATOM 0 HB THR A 52 -1.034 -9.786 4.551 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.754 -7.688 3.765 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.370 -8.346 3.096 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.638 -10.080 2.796 1.00 0.00 H new ATOM 0 HG23 THR A 52 -0.346 -9.122 1.664 1.00 0.00 H new ATOM 779 N SER A 53 -3.505 -10.171 1.218 1.00 0.00 N ATOM 780 CA SER A 53 -3.998 -10.014 -0.147 1.00 0.00 C ATOM 781 C SER A 53 -4.011 -8.528 -0.530 1.00 0.00 C ATOM 782 O SER A 53 -3.974 -7.678 0.360 1.00 0.00 O ATOM 783 CB SER A 53 -5.407 -10.614 -0.240 1.00 0.00 C ATOM 784 OG SER A 53 -6.345 -9.805 0.438 1.00 0.00 O ATOM 0 H SER A 53 -4.100 -9.714 1.910 1.00 0.00 H new ATOM 0 HA SER A 53 -3.342 -10.537 -0.843 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.696 -10.714 -1.286 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.409 -11.616 0.188 1.00 0.00 H new ATOM 0 HG SER A 53 -7.236 -10.206 0.364 1.00 0.00 H new ATOM 790 N PRO A 54 -4.089 -8.187 -1.830 1.00 0.00 N ATOM 791 CA PRO A 54 -4.293 -6.819 -2.286 1.00 0.00 C ATOM 792 C PRO A 54 -5.485 -6.147 -1.599 1.00 0.00 C ATOM 793 O PRO A 54 -5.392 -4.984 -1.218 1.00 0.00 O ATOM 794 CB PRO A 54 -4.491 -6.911 -3.802 1.00 0.00 C ATOM 795 CG PRO A 54 -3.716 -8.172 -4.169 1.00 0.00 C ATOM 796 CD PRO A 54 -3.993 -9.081 -2.974 1.00 0.00 C ATOM 0 HA PRO A 54 -3.437 -6.194 -2.032 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.545 -6.992 -4.068 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.100 -6.032 -4.315 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.069 -8.609 -5.103 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -2.651 -7.974 -4.292 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -4.916 -9.644 -3.113 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.193 -9.809 -2.839 1.00 0.00 H new ATOM 804 N GLU A 55 -6.594 -6.880 -1.432 1.00 0.00 N ATOM 805 CA GLU A 55 -7.796 -6.396 -0.765 1.00 0.00 C ATOM 806 C GLU A 55 -7.538 -6.067 0.706 1.00 0.00 C ATOM 807 O GLU A 55 -8.035 -5.054 1.193 1.00 0.00 O ATOM 808 CB GLU A 55 -8.923 -7.429 -0.901 1.00 0.00 C ATOM 809 CG GLU A 55 -9.506 -7.459 -2.319 1.00 0.00 C ATOM 810 CD GLU A 55 -10.298 -6.189 -2.624 1.00 0.00 C ATOM 811 OE1 GLU A 55 -11.441 -6.099 -2.123 1.00 0.00 O ATOM 812 OE2 GLU A 55 -9.752 -5.323 -3.342 1.00 0.00 O ATOM 0 H GLU A 55 -6.676 -7.841 -1.764 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.100 -5.470 -1.252 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.542 -8.417 -0.645 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.715 -7.198 -0.188 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.699 -7.569 -3.043 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.154 -8.329 -2.429 1.00 0.00 H new ATOM 819 N THR A 56 -6.770 -6.904 1.417 1.00 0.00 N ATOM 820 CA THR A 56 -6.402 -6.645 2.805 1.00 0.00 C ATOM 821 C THR A 56 -5.632 -5.324 2.906 1.00 0.00 C ATOM 822 O THR A 56 -5.953 -4.478 3.739 1.00 0.00 O ATOM 823 CB THR A 56 -5.567 -7.812 3.353 1.00 0.00 C ATOM 824 OG1 THR A 56 -6.233 -9.038 3.132 1.00 0.00 O ATOM 825 CG2 THR A 56 -5.294 -7.662 4.853 1.00 0.00 C ATOM 0 H THR A 56 -6.391 -7.774 1.043 1.00 0.00 H new ATOM 0 HA THR A 56 -7.306 -6.559 3.407 1.00 0.00 H new ATOM 0 HB THR A 56 -4.615 -7.800 2.823 1.00 0.00 H new ATOM 0 HG1 THR A 56 -6.152 -9.289 2.188 1.00 0.00 H new ATOM 0 HG21 THR A 56 -4.701 -8.508 5.201 1.00 0.00 H new ATOM 0 HG22 THR A 56 -4.747 -6.737 5.032 1.00 0.00 H new ATOM 0 HG23 THR A 56 -6.240 -7.635 5.394 1.00 0.00 H new ATOM 833 N LEU A 57 -4.619 -5.156 2.048 1.00 0.00 N ATOM 834 CA LEU A 57 -3.765 -3.976 2.016 1.00 0.00 C ATOM 835 C LEU A 57 -4.580 -2.726 1.675 1.00 0.00 C ATOM 836 O LEU A 57 -4.440 -1.699 2.336 1.00 0.00 O ATOM 837 CB LEU A 57 -2.623 -4.196 1.013 1.00 0.00 C ATOM 838 CG LEU A 57 -1.714 -5.381 1.389 1.00 0.00 C ATOM 839 CD1 LEU A 57 -0.826 -5.747 0.195 1.00 0.00 C ATOM 840 CD2 LEU A 57 -0.843 -5.070 2.610 1.00 0.00 C ATOM 0 H LEU A 57 -4.370 -5.853 1.346 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.331 -3.818 3.003 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.044 -4.368 0.023 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.022 -3.289 0.950 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.355 -6.224 1.649 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.183 -6.586 0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.452 -6.026 -0.652 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.210 -4.890 -0.076 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.218 -5.933 2.840 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.209 -4.210 2.395 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.481 -4.846 3.465 1.00 0.00 H new ATOM 852 N ARG A 58 -5.446 -2.820 0.659 1.00 0.00 N ATOM 853 CA ARG A 58 -6.370 -1.763 0.276 1.00 0.00 C ATOM 854 C ARG A 58 -7.222 -1.354 1.481 1.00 0.00 C ATOM 855 O ARG A 58 -7.310 -0.171 1.796 1.00 0.00 O ATOM 856 CB ARG A 58 -7.236 -2.248 -0.893 1.00 0.00 C ATOM 857 CG ARG A 58 -8.096 -1.120 -1.474 1.00 0.00 C ATOM 858 CD ARG A 58 -9.030 -1.646 -2.569 1.00 0.00 C ATOM 859 NE ARG A 58 -9.961 -2.665 -2.067 1.00 0.00 N ATOM 860 CZ ARG A 58 -11.017 -2.430 -1.269 1.00 0.00 C ATOM 861 NH1 ARG A 58 -11.317 -1.187 -0.865 1.00 0.00 N ATOM 862 NH2 ARG A 58 -11.783 -3.454 -0.872 1.00 0.00 N ATOM 0 H ARG A 58 -5.520 -3.652 0.073 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.818 -0.882 -0.051 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -6.595 -2.655 -1.675 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -7.881 -3.059 -0.555 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -8.684 -0.661 -0.679 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.452 -0.342 -1.884 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -9.597 -0.815 -2.990 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -8.435 -2.068 -3.379 1.00 0.00 H new ATOM 0 HE ARG A 58 -9.792 -3.631 -2.347 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -10.740 -0.401 -1.163 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -12.122 -1.028 -0.260 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -11.563 -4.403 -1.175 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -12.586 -3.285 -0.266 1.00 0.00 H new ATOM 876 N GLY A 59 -7.829 -2.336 2.158 1.00 0.00 N ATOM 877 CA GLY A 59 -8.639 -2.140 3.351 1.00 0.00 C ATOM 878 C GLY A 59 -7.876 -1.407 4.455 1.00 0.00 C ATOM 879 O GLY A 59 -8.425 -0.515 5.098 1.00 0.00 O ATOM 0 H GLY A 59 -7.764 -3.314 1.877 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.533 -1.573 3.092 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.973 -3.108 3.724 1.00 0.00 H new ATOM 883 N ALA A 60 -6.608 -1.772 4.675 1.00 0.00 N ATOM 884 CA ALA A 60 -5.758 -1.112 5.655 1.00 0.00 C ATOM 885 C ALA A 60 -5.524 0.359 5.288 1.00 0.00 C ATOM 886 O ALA A 60 -5.522 1.216 6.168 1.00 0.00 O ATOM 887 CB ALA A 60 -4.443 -1.881 5.801 1.00 0.00 C ATOM 0 H ALA A 60 -6.148 -2.534 4.176 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.264 -1.115 6.621 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.810 -1.383 6.536 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.651 -2.899 6.132 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.930 -1.910 4.840 1.00 0.00 H new ATOM 893 N ILE A 61 -5.342 0.667 3.999 1.00 0.00 N ATOM 894 CA ILE A 61 -5.171 2.040 3.534 1.00 0.00 C ATOM 895 C ILE A 61 -6.488 2.825 3.669 1.00 0.00 C ATOM 896 O ILE A 61 -6.465 4.007 4.009 1.00 0.00 O ATOM 897 CB ILE A 61 -4.603 2.058 2.103 1.00 0.00 C ATOM 898 CG1 ILE A 61 -3.215 1.391 2.045 1.00 0.00 C ATOM 899 CG2 ILE A 61 -4.481 3.509 1.616 1.00 0.00 C ATOM 900 CD1 ILE A 61 -2.873 0.896 0.636 1.00 0.00 C ATOM 0 H ILE A 61 -5.310 -0.029 3.254 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.441 2.546 4.166 1.00 0.00 H new ATOM 0 HB ILE A 61 -5.285 1.500 1.462 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.457 2.103 2.373 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.187 0.552 2.740 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.079 3.520 0.603 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.465 3.978 1.621 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -3.813 4.060 2.278 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.886 0.433 0.643 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.615 0.164 0.317 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.874 1.738 -0.056 1.00 0.00 H new ATOM 912 N GLU A 62 -7.639 2.181 3.427 1.00 0.00 N ATOM 913 CA GLU A 62 -8.942 2.779 3.702 1.00 0.00 C ATOM 914 C GLU A 62 -9.066 3.120 5.190 1.00 0.00 C ATOM 915 O GLU A 62 -9.582 4.182 5.529 1.00 0.00 O ATOM 916 CB GLU A 62 -10.086 1.851 3.261 1.00 0.00 C ATOM 917 CG GLU A 62 -10.197 1.690 1.738 1.00 0.00 C ATOM 918 CD GLU A 62 -10.640 2.958 1.009 1.00 0.00 C ATOM 919 OE1 GLU A 62 -11.246 3.834 1.665 1.00 0.00 O ATOM 920 OE2 GLU A 62 -10.370 3.024 -0.209 1.00 0.00 O ATOM 0 H GLU A 62 -7.687 1.239 3.038 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.021 3.700 3.124 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.940 0.869 3.712 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.028 2.242 3.646 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -9.230 1.376 1.345 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.905 0.891 1.518 1.00 0.00 H new ATOM 927 N ASP A 63 -8.588 2.233 6.074 1.00 0.00 N ATOM 928 CA ASP A 63 -8.579 2.468 7.513 1.00 0.00 C ATOM 929 C ASP A 63 -7.691 3.664 7.875 1.00 0.00 C ATOM 930 O ASP A 63 -8.085 4.476 8.710 1.00 0.00 O ATOM 931 CB ASP A 63 -8.164 1.195 8.260 1.00 0.00 C ATOM 932 CG ASP A 63 -8.228 1.389 9.773 1.00 0.00 C ATOM 933 OD1 ASP A 63 -9.352 1.288 10.312 1.00 0.00 O ATOM 934 OD2 ASP A 63 -7.154 1.636 10.363 1.00 0.00 O ATOM 0 H ASP A 63 -8.197 1.331 5.803 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.591 2.721 7.829 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -8.817 0.372 7.970 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.151 0.916 7.970 1.00 0.00 H new ATOM 939 N MET A 64 -6.511 3.789 7.247 1.00 0.00 N ATOM 940 CA MET A 64 -5.659 4.969 7.393 1.00 0.00 C ATOM 941 C MET A 64 -6.415 6.237 6.978 1.00 0.00 C ATOM 942 O MET A 64 -6.296 7.261 7.647 1.00 0.00 O ATOM 943 CB MET A 64 -4.362 4.821 6.583 1.00 0.00 C ATOM 944 CG MET A 64 -3.391 3.795 7.179 1.00 0.00 C ATOM 945 SD MET A 64 -2.653 4.239 8.775 1.00 0.00 S ATOM 946 CE MET A 64 -1.623 5.650 8.295 1.00 0.00 C ATOM 0 H MET A 64 -6.126 3.076 6.628 1.00 0.00 H new ATOM 0 HA MET A 64 -5.388 5.058 8.445 1.00 0.00 H new ATOM 0 HB2 MET A 64 -4.610 4.527 5.563 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.866 5.790 6.524 1.00 0.00 H new ATOM 0 HG2 MET A 64 -3.919 2.848 7.295 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.587 3.626 6.463 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.959 5.912 9.118 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.029 5.386 7.420 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.260 6.502 8.058 1.00 0.00 H new ATOM 956 N GLY A 65 -7.199 6.159 5.893 1.00 0.00 N ATOM 957 CA GLY A 65 -8.135 7.198 5.484 1.00 0.00 C ATOM 958 C GLY A 65 -7.763 7.787 4.129 1.00 0.00 C ATOM 959 O GLY A 65 -7.593 9.000 4.014 1.00 0.00 O ATOM 0 H GLY A 65 -7.195 5.353 5.268 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.142 6.783 5.437 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.151 7.989 6.233 1.00 0.00 H new ATOM 963 N PHE A 66 -7.644 6.930 3.107 1.00 0.00 N ATOM 964 CA PHE A 66 -7.388 7.340 1.732 1.00 0.00 C ATOM 965 C PHE A 66 -8.211 6.478 0.779 1.00 0.00 C ATOM 966 O PHE A 66 -8.499 5.321 1.082 1.00 0.00 O ATOM 967 CB PHE A 66 -5.898 7.214 1.407 1.00 0.00 C ATOM 968 CG PHE A 66 -4.987 7.984 2.338 1.00 0.00 C ATOM 969 CD1 PHE A 66 -4.495 7.375 3.508 1.00 0.00 C ATOM 970 CD2 PHE A 66 -4.642 9.314 2.042 1.00 0.00 C ATOM 971 CE1 PHE A 66 -3.696 8.110 4.398 1.00 0.00 C ATOM 972 CE2 PHE A 66 -3.831 10.046 2.926 1.00 0.00 C ATOM 973 CZ PHE A 66 -3.373 9.449 4.114 1.00 0.00 C ATOM 0 H PHE A 66 -7.725 5.920 3.220 1.00 0.00 H new ATOM 0 HA PHE A 66 -7.679 8.384 1.612 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -5.620 6.160 1.436 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -5.731 7.560 0.387 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.732 6.343 3.721 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.001 9.774 1.133 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.329 7.647 5.302 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.560 11.065 2.693 1.00 0.00 H new ATOM 0 HZ PHE A 66 -2.773 10.019 4.808 1.00 0.00 H new ATOM 983 N ASP A 67 -8.574 7.043 -0.379 1.00 0.00 N ATOM 984 CA ASP A 67 -9.304 6.335 -1.418 1.00 0.00 C ATOM 985 C ASP A 67 -8.327 5.426 -2.164 1.00 0.00 C ATOM 986 O ASP A 67 -7.654 5.861 -3.097 1.00 0.00 O ATOM 987 CB ASP A 67 -9.994 7.344 -2.343 1.00 0.00 C ATOM 988 CG ASP A 67 -10.646 6.661 -3.544 1.00 0.00 C ATOM 989 OD1 ASP A 67 -11.550 5.832 -3.305 1.00 0.00 O ATOM 990 OD2 ASP A 67 -10.227 6.978 -4.679 1.00 0.00 O ATOM 0 H ASP A 67 -8.364 8.013 -0.616 1.00 0.00 H new ATOM 0 HA ASP A 67 -10.088 5.710 -0.991 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.751 7.893 -1.782 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -9.264 8.074 -2.692 1.00 0.00 H new ATOM 995 N ALA A 68 -8.257 4.164 -1.729 1.00 0.00 N ATOM 996 CA ALA A 68 -7.363 3.149 -2.255 1.00 0.00 C ATOM 997 C ALA A 68 -8.124 2.248 -3.227 1.00 0.00 C ATOM 998 O ALA A 68 -9.234 1.814 -2.922 1.00 0.00 O ATOM 999 CB ALA A 68 -6.795 2.337 -1.091 1.00 0.00 C ATOM 0 H ALA A 68 -8.847 3.817 -0.973 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.540 3.616 -2.796 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.122 1.571 -1.476 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -6.247 2.998 -0.420 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -7.611 1.862 -0.546 1.00 0.00 H new ATOM 1005 N THR A 69 -7.526 1.967 -4.391 1.00 0.00 N ATOM 1006 CA THR A 69 -8.096 1.090 -5.405 1.00 0.00 C ATOM 1007 C THR A 69 -6.973 0.337 -6.118 1.00 0.00 C ATOM 1008 O THR A 69 -5.915 0.904 -6.383 1.00 0.00 O ATOM 1009 CB THR A 69 -8.988 1.891 -6.369 1.00 0.00 C ATOM 1010 OG1 THR A 69 -9.608 1.015 -7.288 1.00 0.00 O ATOM 1011 CG2 THR A 69 -8.233 2.978 -7.141 1.00 0.00 C ATOM 0 H THR A 69 -6.618 2.352 -4.653 1.00 0.00 H new ATOM 0 HA THR A 69 -8.741 0.346 -4.936 1.00 0.00 H new ATOM 0 HB THR A 69 -9.730 2.396 -5.751 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.176 1.530 -7.898 1.00 0.00 H new ATOM 0 HG21 THR A 69 -8.924 3.502 -7.801 1.00 0.00 H new ATOM 0 HG22 THR A 69 -7.795 3.686 -6.438 1.00 0.00 H new ATOM 0 HG23 THR A 69 -7.442 2.520 -7.734 1.00 0.00 H new ATOM 1019 N LEU A 70 -7.202 -0.948 -6.416 1.00 0.00 N ATOM 1020 CA LEU A 70 -6.198 -1.815 -7.014 1.00 0.00 C ATOM 1021 C LEU A 70 -5.922 -1.403 -8.459 1.00 0.00 C ATOM 1022 O LEU A 70 -6.856 -1.169 -9.224 1.00 0.00 O ATOM 1023 CB LEU A 70 -6.658 -3.280 -6.994 1.00 0.00 C ATOM 1024 CG LEU A 70 -7.062 -3.821 -5.614 1.00 0.00 C ATOM 1025 CD1 LEU A 70 -7.337 -5.323 -5.738 1.00 0.00 C ATOM 1026 CD2 LEU A 70 -5.977 -3.587 -4.560 1.00 0.00 C ATOM 0 H LEU A 70 -8.095 -1.411 -6.246 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.286 -1.715 -6.426 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.506 -3.387 -7.671 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.854 -3.902 -7.389 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.954 -3.286 -5.287 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.625 -5.722 -4.765 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.145 -5.487 -6.451 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.437 -5.830 -6.086 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.309 -3.986 -3.602 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.059 -4.090 -4.865 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.789 -2.518 -4.462 1.00 0.00 H new ATOM 1038 N SER A 71 -4.637 -1.338 -8.824 1.00 0.00 N ATOM 1039 CA SER A 71 -4.192 -1.184 -10.202 1.00 0.00 C ATOM 1040 C SER A 71 -3.965 -2.577 -10.795 1.00 0.00 C ATOM 1041 O SER A 71 -4.334 -2.828 -11.941 1.00 0.00 O ATOM 1042 CB SER A 71 -2.916 -0.340 -10.258 1.00 0.00 C ATOM 1043 OG SER A 71 -3.054 0.793 -9.427 1.00 0.00 O ATOM 0 H SER A 71 -3.869 -1.392 -8.155 1.00 0.00 H new ATOM 0 HA SER A 71 -4.950 -0.664 -10.787 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.061 -0.935 -9.937 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.720 -0.028 -11.284 1.00 0.00 H new ATOM 0 HG SER A 71 -2.500 1.523 -9.774 1.00 0.00 H new ATOM 1049 N ASP A 72 -3.370 -3.478 -10.000 1.00 0.00 N ATOM 1050 CA ASP A 72 -3.199 -4.890 -10.317 1.00 0.00 C ATOM 1051 C ASP A 72 -3.283 -5.712 -9.028 1.00 0.00 C ATOM 1052 O ASP A 72 -2.834 -5.187 -7.985 1.00 0.00 O ATOM 1053 CB ASP A 72 -1.866 -5.127 -11.041 1.00 0.00 C ATOM 1054 CG ASP A 72 -0.656 -4.933 -10.128 1.00 0.00 C ATOM 1055 OD1 ASP A 72 -0.382 -3.764 -9.782 1.00 0.00 O ATOM 1056 OD2 ASP A 72 -0.023 -5.957 -9.791 1.00 0.00 O ATOM 1057 OXT ASP A 72 -3.791 -6.850 -9.109 1.00 0.00 O ATOM 0 H ASP A 72 -2.984 -3.228 -9.090 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.996 -5.208 -10.990 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.852 -6.139 -11.446 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.791 -4.444 -11.887 1.00 0.00 H new TER 1062 ASP A 72 HETATM 1063 AG AG A 73 0.022 14.576 4.090 1.00 0.00 AG