USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 592 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 7 SER OG : rot 74:sc= 0.697 USER MOD Set 1.2: A 68 ASN : amide:sc= -0.879! C(o=-0.18!,f=-9!) USER MOD Set 2.1: A 11 LYS NZ :NH3+ -163:sc= 1.29 (180deg=-0.00484) USER MOD Set 2.2: A 65 TYR OH : rot 180:sc= 1.05 USER MOD Set 3.1: A 19 GLN : amide:sc= -0.792 K(o=0.47,f=1.2) USER MOD Set 3.2: A 34 SER OG : rot 57:sc= 1.26 USER MOD Set 4.1: A 18 THR OG1 : rot -170:sc= 0.245 USER MOD Set 4.2: A 21 ASN : amide:sc= -0.573 X(o=-0.33,f=-0.098) USER MOD Single : A 0 SER OG : rot 180:sc=-0.00723 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -72:sc= 0.167 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 99:sc= 1.27 USER MOD Single : A -1 GLY N :NH3+ -112:sc= 0.175 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 82:sc= 1.25 USER MOD Single : A 15 LYS NZ :NH3+ -164:sc= 2.22 (180deg=1.89) USER MOD Single : A 16 CYS SG : rot -110:sc= -1.2 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl -160:sc= -0.252 (180deg=-1.35) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -168:sc= -1.64! USER MOD Single : A 36 LYS NZ :NH3+ 177:sc= 1.18 (180deg=1.08) USER MOD Single : A 38 ASN : amide:sc= -4.21! C(o=-4.2!,f=-3.6!) USER MOD Single : A 40 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.053) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0239 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 ASN : amide:sc= -0.384 K(o=-0.38,f=-6.3!) USER MOD Single : A 60 GLN : amide:sc= -0.364 K(o=-0.36,f=-1) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 -0.482 5.033 -2.718 1.00 0.00 N ATOM 2 CA GLY A -1 0.045 6.227 -3.374 1.00 0.00 C ATOM 3 C GLY A -1 1.245 6.745 -2.644 1.00 0.00 C ATOM 4 O GLY A -1 1.536 6.275 -1.541 1.00 0.00 O ATOM 0 H1 GLY A -1 -0.334 4.206 -3.331 1.00 0.00 H new ATOM 0 H2 GLY A -1 0.011 4.887 -1.814 1.00 0.00 H new ATOM 0 H3 GLY A -1 -1.500 5.155 -2.541 1.00 0.00 H new ATOM 0 HA2 GLY A -1 0.313 5.994 -4.405 1.00 0.00 H new ATOM 0 HA3 GLY A -1 -0.725 6.998 -3.411 1.00 0.00 H new ATOM 8 N SER A 0 1.981 7.666 -3.282 1.00 0.00 N ATOM 9 CA SER A 0 3.182 8.302 -2.708 1.00 0.00 C ATOM 10 C SER A 0 4.283 7.285 -2.331 1.00 0.00 C ATOM 11 O SER A 0 5.209 7.604 -1.606 1.00 0.00 O ATOM 12 CB SER A 0 2.798 9.188 -1.511 1.00 0.00 C ATOM 13 OG SER A 0 1.892 10.224 -1.909 1.00 0.00 O ATOM 0 H SER A 0 1.759 7.996 -4.221 1.00 0.00 H new ATOM 0 HA SER A 0 3.614 8.932 -3.486 1.00 0.00 H new ATOM 0 HB2 SER A 0 2.339 8.577 -0.734 1.00 0.00 H new ATOM 0 HB3 SER A 0 3.695 9.631 -1.079 1.00 0.00 H new ATOM 0 HG SER A 0 1.661 10.773 -1.131 1.00 0.00 H new ATOM 19 N MET A 1 4.190 6.080 -2.884 1.00 0.00 N ATOM 20 CA MET A 1 5.191 5.027 -2.655 1.00 0.00 C ATOM 21 C MET A 1 6.128 4.981 -3.851 1.00 0.00 C ATOM 22 O MET A 1 6.934 4.081 -4.017 1.00 0.00 O ATOM 23 CB MET A 1 4.514 3.659 -2.427 1.00 0.00 C ATOM 24 CG MET A 1 3.643 3.174 -3.580 1.00 0.00 C ATOM 25 SD MET A 1 2.857 1.592 -3.231 1.00 0.00 S ATOM 26 CE MET A 1 1.869 1.368 -4.707 1.00 0.00 C ATOM 0 H MET A 1 3.427 5.800 -3.500 1.00 0.00 H new ATOM 0 HA MET A 1 5.761 5.255 -1.754 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.287 2.915 -2.237 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.901 3.719 -1.528 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.876 3.919 -3.790 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.253 3.083 -4.479 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.322 0.428 -4.639 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.163 2.193 -4.801 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.520 1.347 -5.581 1.00 0.00 H new ATOM 36 N SER A 2 5.974 5.976 -4.657 1.00 0.00 N ATOM 37 CA SER A 2 6.725 6.234 -5.829 1.00 0.00 C ATOM 38 C SER A 2 6.372 7.666 -6.114 1.00 0.00 C ATOM 39 O SER A 2 5.199 8.036 -5.899 1.00 0.00 O ATOM 40 CB SER A 2 6.278 5.302 -6.985 1.00 0.00 C ATOM 41 OG SER A 2 7.097 5.461 -8.140 1.00 0.00 O ATOM 0 H SER A 2 5.259 6.686 -4.495 1.00 0.00 H new ATOM 0 HA SER A 2 7.796 6.061 -5.720 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.317 4.265 -6.652 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.241 5.515 -7.243 1.00 0.00 H new ATOM 0 HG SER A 2 6.901 6.322 -8.564 1.00 0.00 H new ATOM 47 N TYR A 3 7.347 8.474 -6.516 1.00 0.00 N ATOM 48 CA TYR A 3 7.152 9.921 -6.729 1.00 0.00 C ATOM 49 C TYR A 3 6.899 10.652 -5.396 1.00 0.00 C ATOM 50 O TYR A 3 6.789 10.026 -4.332 1.00 0.00 O ATOM 51 CB TYR A 3 6.004 10.223 -7.728 1.00 0.00 C ATOM 52 CG TYR A 3 6.253 9.778 -9.151 1.00 0.00 C ATOM 53 CD1 TYR A 3 6.030 8.470 -9.555 1.00 0.00 C ATOM 54 CD2 TYR A 3 6.693 10.677 -10.090 1.00 0.00 C ATOM 55 CE1 TYR A 3 6.243 8.084 -10.861 1.00 0.00 C ATOM 56 CE2 TYR A 3 6.911 10.306 -11.396 1.00 0.00 C ATOM 57 CZ TYR A 3 6.683 9.009 -11.776 1.00 0.00 C ATOM 58 OH TYR A 3 6.898 8.633 -13.082 1.00 0.00 O ATOM 0 H TYR A 3 8.297 8.154 -6.706 1.00 0.00 H new ATOM 0 HA TYR A 3 8.078 10.295 -7.167 1.00 0.00 H new ATOM 0 HB2 TYR A 3 5.095 9.741 -7.368 1.00 0.00 H new ATOM 0 HB3 TYR A 3 5.817 11.297 -7.728 1.00 0.00 H new ATOM 0 HD1 TYR A 3 5.684 7.743 -8.835 1.00 0.00 H new ATOM 0 HD2 TYR A 3 6.872 11.701 -9.796 1.00 0.00 H new ATOM 0 HE1 TYR A 3 6.065 7.062 -11.162 1.00 0.00 H new ATOM 0 HE2 TYR A 3 7.259 11.031 -12.117 1.00 0.00 H new ATOM 0 HH TYR A 3 7.206 9.407 -13.599 1.00 0.00 H new ATOM 68 N ASP A 4 6.845 11.950 -5.455 1.00 0.00 N ATOM 69 CA ASP A 4 6.555 12.775 -4.296 1.00 0.00 C ATOM 70 C ASP A 4 5.442 13.720 -4.620 1.00 0.00 C ATOM 71 O ASP A 4 5.429 14.321 -5.687 1.00 0.00 O ATOM 72 CB ASP A 4 7.781 13.578 -3.841 1.00 0.00 C ATOM 73 CG ASP A 4 7.431 14.592 -2.760 1.00 0.00 C ATOM 74 OD1 ASP A 4 7.287 15.818 -3.068 1.00 0.00 O ATOM 75 OD2 ASP A 4 7.243 14.185 -1.582 1.00 0.00 O ATOM 0 H ASP A 4 7.001 12.481 -6.312 1.00 0.00 H new ATOM 0 HA ASP A 4 6.267 12.110 -3.482 1.00 0.00 H new ATOM 0 HB2 ASP A 4 8.542 12.895 -3.464 1.00 0.00 H new ATOM 0 HB3 ASP A 4 8.213 14.096 -4.697 1.00 0.00 H new ATOM 80 N TYR A 5 4.488 13.834 -3.736 1.00 0.00 N ATOM 81 CA TYR A 5 3.410 14.750 -3.958 1.00 0.00 C ATOM 82 C TYR A 5 3.423 15.863 -2.957 1.00 0.00 C ATOM 83 O TYR A 5 2.548 16.702 -2.970 1.00 0.00 O ATOM 84 CB TYR A 5 2.057 14.046 -3.992 1.00 0.00 C ATOM 85 CG TYR A 5 1.964 13.068 -5.120 1.00 0.00 C ATOM 86 CD1 TYR A 5 1.677 13.501 -6.402 1.00 0.00 C ATOM 87 CD2 TYR A 5 2.199 11.717 -4.916 1.00 0.00 C ATOM 88 CE1 TYR A 5 1.629 12.613 -7.451 1.00 0.00 C ATOM 89 CE2 TYR A 5 2.144 10.824 -5.957 1.00 0.00 C ATOM 90 CZ TYR A 5 1.860 11.276 -7.223 1.00 0.00 C ATOM 91 OH TYR A 5 1.816 10.389 -8.269 1.00 0.00 O ATOM 0 H TYR A 5 4.437 13.308 -2.864 1.00 0.00 H new ATOM 0 HA TYR A 5 3.564 15.190 -4.943 1.00 0.00 H new ATOM 0 HB2 TYR A 5 1.894 13.527 -3.047 1.00 0.00 H new ATOM 0 HB3 TYR A 5 1.264 14.788 -4.089 1.00 0.00 H new ATOM 0 HD1 TYR A 5 1.488 14.549 -6.581 1.00 0.00 H new ATOM 0 HD2 TYR A 5 2.429 11.362 -3.922 1.00 0.00 H new ATOM 0 HE1 TYR A 5 1.411 12.963 -8.449 1.00 0.00 H new ATOM 0 HE2 TYR A 5 2.323 9.773 -5.782 1.00 0.00 H new ATOM 0 HH TYR A 5 2.002 9.485 -7.939 1.00 0.00 H new ATOM 101 N SER A 6 4.453 15.915 -2.127 1.00 0.00 N ATOM 102 CA SER A 6 4.577 16.965 -1.126 1.00 0.00 C ATOM 103 C SER A 6 4.792 18.291 -1.847 1.00 0.00 C ATOM 104 O SER A 6 4.279 19.340 -1.439 1.00 0.00 O ATOM 105 CB SER A 6 5.759 16.666 -0.211 1.00 0.00 C ATOM 106 OG SER A 6 5.701 15.319 0.241 1.00 0.00 O ATOM 0 H SER A 6 5.218 15.240 -2.126 1.00 0.00 H new ATOM 0 HA SER A 6 3.674 17.017 -0.518 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.694 16.838 -0.744 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.749 17.344 0.642 1.00 0.00 H new ATOM 0 HG SER A 6 6.301 14.766 -0.301 1.00 0.00 H new ATOM 112 N SER A 7 5.509 18.205 -2.955 1.00 0.00 N ATOM 113 CA SER A 7 5.755 19.331 -3.818 1.00 0.00 C ATOM 114 C SER A 7 4.429 19.875 -4.375 1.00 0.00 C ATOM 115 O SER A 7 4.212 21.080 -4.444 1.00 0.00 O ATOM 116 CB SER A 7 6.653 18.876 -4.971 1.00 0.00 C ATOM 117 OG SER A 7 7.851 18.271 -4.474 1.00 0.00 O ATOM 0 H SER A 7 5.938 17.338 -3.278 1.00 0.00 H new ATOM 0 HA SER A 7 6.244 20.125 -3.253 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.115 18.166 -5.599 1.00 0.00 H new ATOM 0 HB3 SER A 7 6.905 19.730 -5.600 1.00 0.00 H new ATOM 0 HG SER A 7 7.644 17.383 -4.114 1.00 0.00 H new ATOM 123 N LEU A 8 3.534 18.969 -4.701 1.00 0.00 N ATOM 124 CA LEU A 8 2.280 19.301 -5.337 1.00 0.00 C ATOM 125 C LEU A 8 1.260 19.751 -4.279 1.00 0.00 C ATOM 126 O LEU A 8 0.507 20.709 -4.489 1.00 0.00 O ATOM 127 CB LEU A 8 1.843 18.074 -6.171 1.00 0.00 C ATOM 128 CG LEU A 8 0.813 18.244 -7.310 1.00 0.00 C ATOM 129 CD1 LEU A 8 0.866 17.028 -8.215 1.00 0.00 C ATOM 130 CD2 LEU A 8 -0.587 18.353 -6.767 1.00 0.00 C ATOM 0 H LEU A 8 3.658 17.971 -4.530 1.00 0.00 H new ATOM 0 HA LEU A 8 2.371 20.146 -6.019 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.743 17.642 -6.609 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.441 17.336 -5.477 1.00 0.00 H new ATOM 0 HG LEU A 8 1.061 19.155 -7.854 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.141 17.142 -9.021 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.866 16.932 -8.638 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.629 16.134 -7.638 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.289 18.472 -7.592 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.832 17.449 -6.209 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.655 19.217 -6.106 1.00 0.00 H new ATOM 142 N LEU A 9 1.300 19.098 -3.129 1.00 0.00 N ATOM 143 CA LEU A 9 0.473 19.412 -1.994 1.00 0.00 C ATOM 144 C LEU A 9 0.747 20.815 -1.455 1.00 0.00 C ATOM 145 O LEU A 9 -0.124 21.420 -0.836 1.00 0.00 O ATOM 146 CB LEU A 9 0.696 18.366 -0.908 1.00 0.00 C ATOM 147 CG LEU A 9 0.036 16.988 -1.116 1.00 0.00 C ATOM 148 CD1 LEU A 9 0.537 15.995 -0.080 1.00 0.00 C ATOM 149 CD2 LEU A 9 -1.480 17.100 -1.017 1.00 0.00 C ATOM 0 H LEU A 9 1.930 18.313 -2.963 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.569 19.396 -2.314 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.770 18.214 -0.800 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.335 18.775 0.036 1.00 0.00 H new ATOM 0 HG LEU A 9 0.304 16.634 -2.111 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.060 15.028 -0.242 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.618 15.887 -0.172 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.293 16.357 0.919 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.928 16.118 -1.166 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.753 17.477 -0.032 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.845 17.785 -1.782 1.00 0.00 H new ATOM 161 N GLY A 10 1.948 21.324 -1.699 1.00 0.00 N ATOM 162 CA GLY A 10 2.304 22.675 -1.285 1.00 0.00 C ATOM 163 C GLY A 10 1.346 23.716 -1.851 1.00 0.00 C ATOM 164 O GLY A 10 0.706 24.458 -1.096 1.00 0.00 O ATOM 0 H GLY A 10 2.692 20.821 -2.182 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.301 22.733 -0.197 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.319 22.899 -1.614 1.00 0.00 H new ATOM 168 N LYS A 11 1.190 23.717 -3.177 1.00 0.00 N ATOM 169 CA LYS A 11 0.311 24.629 -3.857 1.00 0.00 C ATOM 170 C LYS A 11 -1.119 24.405 -3.449 1.00 0.00 C ATOM 171 O LYS A 11 -1.886 25.356 -3.298 1.00 0.00 O ATOM 172 CB LYS A 11 0.451 24.447 -5.349 1.00 0.00 C ATOM 173 CG LYS A 11 1.719 25.013 -5.940 1.00 0.00 C ATOM 174 CD LYS A 11 1.770 26.534 -5.803 1.00 0.00 C ATOM 175 CE LYS A 11 2.979 27.146 -6.510 1.00 0.00 C ATOM 176 NZ LYS A 11 4.273 26.682 -5.958 1.00 0.00 N ATOM 0 H LYS A 11 1.680 23.075 -3.800 1.00 0.00 H new ATOM 0 HA LYS A 11 0.589 25.647 -3.582 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.405 23.382 -5.577 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.402 24.915 -5.840 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.582 24.573 -5.441 1.00 0.00 H new ATOM 0 HG3 LYS A 11 1.785 24.739 -6.993 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.857 26.963 -6.215 1.00 0.00 H new ATOM 0 HD3 LYS A 11 1.799 26.799 -4.746 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.935 26.900 -7.571 1.00 0.00 H new ATOM 0 HE3 LYS A 11 2.926 28.232 -6.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 5.031 27.325 -6.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 4.224 26.673 -4.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.473 25.722 -6.303 1.00 0.00 H new ATOM 190 N ILE A 12 -1.463 23.148 -3.268 1.00 0.00 N ATOM 191 CA ILE A 12 -2.791 22.762 -2.822 1.00 0.00 C ATOM 192 C ILE A 12 -3.109 23.418 -1.483 1.00 0.00 C ATOM 193 O ILE A 12 -4.142 24.058 -1.334 1.00 0.00 O ATOM 194 CB ILE A 12 -2.936 21.216 -2.711 1.00 0.00 C ATOM 195 CG1 ILE A 12 -2.781 20.578 -4.098 1.00 0.00 C ATOM 196 CG2 ILE A 12 -4.277 20.830 -2.078 1.00 0.00 C ATOM 197 CD1 ILE A 12 -2.870 19.067 -4.104 1.00 0.00 C ATOM 0 H ILE A 12 -0.832 22.362 -3.425 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.504 23.108 -3.570 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.147 20.839 -2.060 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.552 20.978 -4.757 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.819 20.875 -4.516 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.350 19.744 -2.014 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.344 21.258 -1.078 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.093 21.213 -2.692 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.750 18.700 -5.123 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.082 18.654 -3.474 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.842 18.758 -3.719 1.00 0.00 H new ATOM 209 N THR A 13 -2.196 23.312 -0.550 1.00 0.00 N ATOM 210 CA THR A 13 -2.374 23.872 0.773 1.00 0.00 C ATOM 211 C THR A 13 -2.472 25.402 0.711 1.00 0.00 C ATOM 212 O THR A 13 -3.296 26.020 1.385 1.00 0.00 O ATOM 213 CB THR A 13 -1.190 23.497 1.671 1.00 0.00 C ATOM 214 OG1 THR A 13 -0.973 22.077 1.600 1.00 0.00 O ATOM 215 CG2 THR A 13 -1.474 23.882 3.114 1.00 0.00 C ATOM 0 H THR A 13 -1.305 22.834 -0.684 1.00 0.00 H new ATOM 0 HA THR A 13 -3.299 23.465 1.183 1.00 0.00 H new ATOM 0 HB THR A 13 -0.305 24.033 1.327 1.00 0.00 H new ATOM 0 HG1 THR A 13 -0.445 21.866 0.802 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.623 23.609 3.738 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.640 24.957 3.178 1.00 0.00 H new ATOM 0 HG23 THR A 13 -2.363 23.356 3.463 1.00 0.00 H new ATOM 223 N GLU A 14 -1.664 25.989 -0.122 1.00 0.00 N ATOM 224 CA GLU A 14 -1.596 27.422 -0.229 1.00 0.00 C ATOM 225 C GLU A 14 -2.788 28.045 -0.952 1.00 0.00 C ATOM 226 O GLU A 14 -3.175 29.192 -0.665 1.00 0.00 O ATOM 227 CB GLU A 14 -0.304 27.827 -0.869 1.00 0.00 C ATOM 228 CG GLU A 14 0.924 27.622 -0.005 1.00 0.00 C ATOM 229 CD GLU A 14 2.190 28.006 -0.723 1.00 0.00 C ATOM 230 OE1 GLU A 14 2.554 29.196 -0.718 1.00 0.00 O ATOM 231 OE2 GLU A 14 2.861 27.124 -1.295 1.00 0.00 O ATOM 0 H GLU A 14 -1.032 25.490 -0.748 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.639 27.813 0.788 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.180 27.262 -1.793 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.366 28.880 -1.145 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.830 28.214 0.905 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.983 26.577 0.299 1.00 0.00 H new ATOM 238 N LYS A 15 -3.383 27.325 -1.865 1.00 0.00 N ATOM 239 CA LYS A 15 -4.458 27.855 -2.608 1.00 0.00 C ATOM 240 C LYS A 15 -5.771 27.429 -2.043 1.00 0.00 C ATOM 241 O LYS A 15 -6.627 28.252 -1.719 1.00 0.00 O ATOM 242 CB LYS A 15 -4.350 27.399 -4.040 1.00 0.00 C ATOM 243 CG LYS A 15 -3.960 28.499 -5.003 1.00 0.00 C ATOM 244 CD LYS A 15 -2.545 28.985 -4.721 1.00 0.00 C ATOM 245 CE LYS A 15 -2.212 30.249 -5.488 1.00 0.00 C ATOM 246 NZ LYS A 15 -2.416 30.100 -6.934 1.00 0.00 N ATOM 0 H LYS A 15 -3.128 26.366 -2.102 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.406 28.943 -2.558 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.614 26.597 -4.102 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.306 26.979 -4.351 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.027 28.133 -6.027 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.659 29.330 -4.916 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.432 29.170 -3.653 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -1.834 28.203 -4.986 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.831 31.067 -5.120 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -1.174 30.523 -5.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.930 30.871 -7.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.029 29.187 -7.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.433 30.136 -7.147 1.00 0.00 H new ATOM 260 N CYS A 16 -5.891 26.169 -1.840 1.00 0.00 N ATOM 261 CA CYS A 16 -7.096 25.588 -1.495 1.00 0.00 C ATOM 262 C CYS A 16 -7.100 25.342 -0.020 1.00 0.00 C ATOM 263 O CYS A 16 -8.033 25.697 0.675 1.00 0.00 O ATOM 264 CB CYS A 16 -7.192 24.287 -2.252 1.00 0.00 C ATOM 265 SG CYS A 16 -6.991 24.454 -4.040 1.00 0.00 S ATOM 0 H CYS A 16 -5.117 25.509 -1.917 1.00 0.00 H new ATOM 0 HA CYS A 16 -7.944 26.226 -1.742 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -6.432 23.603 -1.875 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -8.161 23.831 -2.048 1.00 0.00 H new ATOM 0 HG CYS A 16 -8.128 24.228 -4.628 1.00 0.00 H new ATOM 271 N GLY A 17 -6.036 24.780 0.467 1.00 0.00 N ATOM 272 CA GLY A 17 -5.966 24.467 1.834 1.00 0.00 C ATOM 273 C GLY A 17 -5.755 23.018 2.069 1.00 0.00 C ATOM 274 O GLY A 17 -4.764 22.610 2.647 1.00 0.00 O ATOM 0 H GLY A 17 -5.209 24.534 -0.076 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.152 25.029 2.292 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.887 24.782 2.324 1.00 0.00 H new ATOM 278 N THR A 18 -6.670 22.243 1.580 1.00 0.00 N ATOM 279 CA THR A 18 -6.674 20.813 1.792 1.00 0.00 C ATOM 280 C THR A 18 -7.086 20.134 0.501 1.00 0.00 C ATOM 281 O THR A 18 -7.481 20.825 -0.455 1.00 0.00 O ATOM 282 CB THR A 18 -7.706 20.435 2.896 1.00 0.00 C ATOM 283 OG1 THR A 18 -9.039 20.783 2.454 1.00 0.00 O ATOM 284 CG2 THR A 18 -7.409 21.190 4.183 1.00 0.00 C ATOM 0 H THR A 18 -7.449 22.580 1.014 1.00 0.00 H new ATOM 0 HA THR A 18 -5.679 20.494 2.102 1.00 0.00 H new ATOM 0 HB THR A 18 -7.636 19.363 3.080 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.666 20.694 3.202 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.139 20.914 4.944 1.00 0.00 H new ATOM 0 HG22 THR A 18 -6.408 20.935 4.532 1.00 0.00 H new ATOM 0 HG23 THR A 18 -7.466 22.263 3.997 1.00 0.00 H new ATOM 292 N GLN A 19 -7.032 18.801 0.470 1.00 0.00 N ATOM 293 CA GLN A 19 -7.477 18.037 -0.694 1.00 0.00 C ATOM 294 C GLN A 19 -8.988 18.184 -0.888 1.00 0.00 C ATOM 295 O GLN A 19 -9.495 18.062 -2.004 1.00 0.00 O ATOM 296 CB GLN A 19 -7.104 16.555 -0.569 1.00 0.00 C ATOM 297 CG GLN A 19 -5.601 16.279 -0.575 1.00 0.00 C ATOM 298 CD GLN A 19 -5.253 14.804 -0.387 1.00 0.00 C ATOM 299 OE1 GLN A 19 -4.190 14.461 0.157 1.00 0.00 O ATOM 300 NE2 GLN A 19 -6.126 13.920 -0.822 1.00 0.00 N ATOM 0 H GLN A 19 -6.684 18.229 1.239 1.00 0.00 H new ATOM 0 HA GLN A 19 -6.966 18.442 -1.568 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -7.529 16.163 0.355 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -7.565 16.006 -1.390 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -5.179 16.626 -1.518 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -5.130 16.860 0.218 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -6.990 14.232 -1.265 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -5.938 12.923 -0.716 1.00 0.00 H new ATOM 309 N TYR A 20 -9.693 18.471 0.204 1.00 0.00 N ATOM 310 CA TYR A 20 -11.130 18.690 0.159 1.00 0.00 C ATOM 311 C TYR A 20 -11.406 19.956 -0.584 1.00 0.00 C ATOM 312 O TYR A 20 -12.165 19.985 -1.534 1.00 0.00 O ATOM 313 CB TYR A 20 -11.701 18.843 1.560 1.00 0.00 C ATOM 314 CG TYR A 20 -13.221 18.940 1.575 1.00 0.00 C ATOM 315 CD1 TYR A 20 -13.871 20.088 2.026 1.00 0.00 C ATOM 316 CD2 TYR A 20 -13.999 17.897 1.098 1.00 0.00 C ATOM 317 CE1 TYR A 20 -15.253 20.183 2.000 1.00 0.00 C ATOM 318 CE2 TYR A 20 -15.373 17.982 1.071 1.00 0.00 C ATOM 319 CZ TYR A 20 -15.998 19.123 1.522 1.00 0.00 C ATOM 320 OH TYR A 20 -17.379 19.203 1.486 1.00 0.00 O ATOM 0 H TYR A 20 -9.286 18.557 1.135 1.00 0.00 H new ATOM 0 HA TYR A 20 -11.590 17.832 -0.330 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -11.391 17.993 2.168 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -11.281 19.736 2.022 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -13.288 20.916 2.401 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -13.518 16.999 0.740 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -15.744 21.079 2.351 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -15.959 17.156 0.697 1.00 0.00 H new ATOM 0 HH TYR A 20 -17.745 18.371 1.120 1.00 0.00 H new ATOM 330 N ASN A 21 -10.782 20.999 -0.121 1.00 0.00 N ATOM 331 CA ASN A 21 -10.920 22.321 -0.716 1.00 0.00 C ATOM 332 C ASN A 21 -10.464 22.303 -2.165 1.00 0.00 C ATOM 333 O ASN A 21 -11.047 22.961 -3.019 1.00 0.00 O ATOM 334 CB ASN A 21 -10.082 23.326 0.032 1.00 0.00 C ATOM 335 CG ASN A 21 -10.452 23.533 1.485 1.00 0.00 C ATOM 336 OD1 ASN A 21 -11.588 23.338 1.903 1.00 0.00 O ATOM 337 ND2 ASN A 21 -9.496 23.992 2.248 1.00 0.00 N ATOM 0 H ASN A 21 -10.156 20.970 0.684 1.00 0.00 H new ATOM 0 HA ASN A 21 -11.972 22.601 -0.662 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -9.039 23.012 -0.018 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -10.151 24.285 -0.482 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.682 24.201 3.229 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -8.563 24.141 1.863 1.00 0.00 H new ATOM 344 N PHE A 22 -9.394 21.566 -2.405 1.00 0.00 N ATOM 345 CA PHE A 22 -8.835 21.335 -3.741 1.00 0.00 C ATOM 346 C PHE A 22 -9.922 20.804 -4.648 1.00 0.00 C ATOM 347 O PHE A 22 -10.142 21.313 -5.744 1.00 0.00 O ATOM 348 CB PHE A 22 -7.727 20.298 -3.614 1.00 0.00 C ATOM 349 CG PHE A 22 -6.896 20.040 -4.847 1.00 0.00 C ATOM 350 CD1 PHE A 22 -6.392 21.074 -5.612 1.00 0.00 C ATOM 351 CD2 PHE A 22 -6.600 18.747 -5.215 1.00 0.00 C ATOM 352 CE1 PHE A 22 -5.614 20.809 -6.728 1.00 0.00 C ATOM 353 CE2 PHE A 22 -5.826 18.479 -6.328 1.00 0.00 C ATOM 354 CZ PHE A 22 -5.335 19.511 -7.084 1.00 0.00 C ATOM 0 H PHE A 22 -8.872 21.097 -1.665 1.00 0.00 H new ATOM 0 HA PHE A 22 -8.441 22.261 -4.159 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -7.058 20.611 -2.812 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -8.177 19.355 -3.304 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -6.606 22.097 -5.338 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -6.980 17.927 -4.623 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.226 21.625 -7.320 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -5.608 17.457 -6.602 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.731 19.305 -7.956 1.00 0.00 H new ATOM 364 N ALA A 23 -10.596 19.780 -4.161 1.00 0.00 N ATOM 365 CA ALA A 23 -11.739 19.174 -4.844 1.00 0.00 C ATOM 366 C ALA A 23 -12.794 20.221 -5.173 1.00 0.00 C ATOM 367 O ALA A 23 -13.264 20.294 -6.303 1.00 0.00 O ATOM 368 CB ALA A 23 -12.359 18.090 -3.978 1.00 0.00 C ATOM 0 H ALA A 23 -10.369 19.336 -3.271 1.00 0.00 H new ATOM 0 HA ALA A 23 -11.377 18.734 -5.773 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -13.208 17.649 -4.500 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -11.617 17.318 -3.775 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.697 18.525 -3.037 1.00 0.00 H new ATOM 374 N ILE A 24 -13.135 21.041 -4.184 1.00 0.00 N ATOM 375 CA ILE A 24 -14.120 22.097 -4.331 1.00 0.00 C ATOM 376 C ILE A 24 -13.719 23.057 -5.459 1.00 0.00 C ATOM 377 O ILE A 24 -14.498 23.320 -6.377 1.00 0.00 O ATOM 378 CB ILE A 24 -14.231 22.902 -3.024 1.00 0.00 C ATOM 379 CG1 ILE A 24 -14.507 21.975 -1.834 1.00 0.00 C ATOM 380 CG2 ILE A 24 -15.316 23.973 -3.132 1.00 0.00 C ATOM 381 CD1 ILE A 24 -15.809 21.216 -1.880 1.00 0.00 C ATOM 0 H ILE A 24 -12.729 20.987 -3.250 1.00 0.00 H new ATOM 0 HA ILE A 24 -15.077 21.633 -4.569 1.00 0.00 H new ATOM 0 HB ILE A 24 -13.276 23.400 -2.856 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -13.691 21.255 -1.762 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -14.488 22.571 -0.922 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -15.374 24.528 -2.195 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -15.072 24.657 -3.945 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -16.277 23.499 -3.333 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -15.899 20.593 -0.990 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -16.640 21.921 -1.915 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -15.831 20.585 -2.768 1.00 0.00 H new ATOM 393 N ALA A 25 -12.485 23.539 -5.389 1.00 0.00 N ATOM 394 CA ALA A 25 -11.947 24.494 -6.348 1.00 0.00 C ATOM 395 C ALA A 25 -11.885 23.906 -7.755 1.00 0.00 C ATOM 396 O ALA A 25 -12.264 24.563 -8.732 1.00 0.00 O ATOM 397 CB ALA A 25 -10.565 24.958 -5.910 1.00 0.00 C ATOM 0 H ALA A 25 -11.824 23.276 -4.658 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.621 25.350 -6.376 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.174 25.671 -6.635 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.634 25.435 -4.933 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.896 24.100 -5.848 1.00 0.00 H new ATOM 403 N MET A 26 -11.431 22.670 -7.842 1.00 0.00 N ATOM 404 CA MET A 26 -11.288 21.964 -9.117 1.00 0.00 C ATOM 405 C MET A 26 -12.629 21.565 -9.712 1.00 0.00 C ATOM 406 O MET A 26 -12.755 21.426 -10.931 1.00 0.00 O ATOM 407 CB MET A 26 -10.413 20.718 -8.950 1.00 0.00 C ATOM 408 CG MET A 26 -8.932 20.997 -8.767 1.00 0.00 C ATOM 409 SD MET A 26 -8.163 21.676 -10.253 1.00 0.00 S ATOM 410 CE MET A 26 -8.435 20.332 -11.423 1.00 0.00 C ATOM 0 H MET A 26 -11.148 22.119 -7.032 1.00 0.00 H new ATOM 0 HA MET A 26 -10.810 22.660 -9.806 1.00 0.00 H new ATOM 0 HB2 MET A 26 -10.771 20.153 -8.089 1.00 0.00 H new ATOM 0 HB3 MET A 26 -10.542 20.081 -9.825 1.00 0.00 H new ATOM 0 HG2 MET A 26 -8.797 21.696 -7.941 1.00 0.00 H new ATOM 0 HG3 MET A 26 -8.424 20.074 -8.489 1.00 0.00 H new ATOM 0 HE1 MET A 26 -7.736 20.426 -12.254 1.00 0.00 H new ATOM 0 HE2 MET A 26 -8.277 19.377 -10.923 1.00 0.00 H new ATOM 0 HE3 MET A 26 -9.456 20.380 -11.801 1.00 0.00 H new ATOM 420 N GLY A 27 -13.614 21.373 -8.861 1.00 0.00 N ATOM 421 CA GLY A 27 -14.920 20.943 -9.315 1.00 0.00 C ATOM 422 C GLY A 27 -15.011 19.436 -9.309 1.00 0.00 C ATOM 423 O GLY A 27 -15.732 18.828 -10.108 1.00 0.00 O ATOM 0 H GLY A 27 -13.536 21.507 -7.853 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -15.692 21.363 -8.670 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -15.105 21.321 -10.321 1.00 0.00 H new ATOM 427 N LEU A 28 -14.291 18.842 -8.395 1.00 0.00 N ATOM 428 CA LEU A 28 -14.174 17.409 -8.278 1.00 0.00 C ATOM 429 C LEU A 28 -14.796 16.942 -6.997 1.00 0.00 C ATOM 430 O LEU A 28 -15.107 17.742 -6.110 1.00 0.00 O ATOM 431 CB LEU A 28 -12.700 17.017 -8.248 1.00 0.00 C ATOM 432 CG LEU A 28 -11.865 17.333 -9.477 1.00 0.00 C ATOM 433 CD1 LEU A 28 -10.433 16.936 -9.229 1.00 0.00 C ATOM 434 CD2 LEU A 28 -12.388 16.578 -10.658 1.00 0.00 C ATOM 0 H LEU A 28 -13.755 19.352 -7.693 1.00 0.00 H new ATOM 0 HA LEU A 28 -14.679 16.953 -9.130 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.238 17.509 -7.392 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -12.641 15.944 -8.068 1.00 0.00 H new ATOM 0 HG LEU A 28 -11.921 18.403 -9.679 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.834 17.163 -10.111 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.045 17.490 -8.375 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.382 15.867 -9.022 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.784 16.810 -11.535 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.339 15.508 -10.457 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -13.423 16.865 -10.844 1.00 0.00 H new ATOM 446 N SER A 29 -14.949 15.664 -6.888 1.00 0.00 N ATOM 447 CA SER A 29 -15.425 15.062 -5.692 1.00 0.00 C ATOM 448 C SER A 29 -14.187 14.689 -4.918 1.00 0.00 C ATOM 449 O SER A 29 -13.210 14.222 -5.518 1.00 0.00 O ATOM 450 CB SER A 29 -16.245 13.820 -6.014 1.00 0.00 C ATOM 451 OG SER A 29 -16.943 13.340 -4.878 1.00 0.00 O ATOM 0 H SER A 29 -14.744 15.003 -7.637 1.00 0.00 H new ATOM 0 HA SER A 29 -16.073 15.732 -5.127 1.00 0.00 H new ATOM 0 HB2 SER A 29 -16.956 14.050 -6.807 1.00 0.00 H new ATOM 0 HB3 SER A 29 -15.587 13.038 -6.393 1.00 0.00 H new ATOM 0 HG SER A 29 -17.459 12.544 -5.123 1.00 0.00 H new ATOM 457 N GLU A 30 -14.217 14.875 -3.619 1.00 0.00 N ATOM 458 CA GLU A 30 -13.041 14.702 -2.772 1.00 0.00 C ATOM 459 C GLU A 30 -12.335 13.382 -2.930 1.00 0.00 C ATOM 460 O GLU A 30 -11.107 13.341 -3.058 1.00 0.00 O ATOM 461 CB GLU A 30 -13.308 15.058 -1.314 1.00 0.00 C ATOM 462 CG GLU A 30 -14.603 14.548 -0.696 1.00 0.00 C ATOM 463 CD GLU A 30 -14.785 13.056 -0.673 1.00 0.00 C ATOM 464 OE1 GLU A 30 -14.209 12.388 0.212 1.00 0.00 O ATOM 465 OE2 GLU A 30 -15.501 12.523 -1.539 1.00 0.00 O ATOM 0 H GLU A 30 -15.057 15.152 -3.110 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.327 15.434 -3.150 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -12.478 14.680 -0.717 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.297 16.144 -1.225 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -14.662 14.916 0.328 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.439 14.987 -1.241 1.00 0.00 H new ATOM 472 N ARG A 31 -13.089 12.324 -2.978 1.00 0.00 N ATOM 473 CA ARG A 31 -12.549 11.029 -3.120 1.00 0.00 C ATOM 474 C ARG A 31 -11.879 10.819 -4.457 1.00 0.00 C ATOM 475 O ARG A 31 -10.850 10.175 -4.547 1.00 0.00 O ATOM 476 CB ARG A 31 -13.588 9.999 -2.912 1.00 0.00 C ATOM 477 CG ARG A 31 -14.806 10.121 -3.752 1.00 0.00 C ATOM 478 CD ARG A 31 -15.705 9.039 -3.358 1.00 0.00 C ATOM 479 NE ARG A 31 -16.905 8.978 -4.179 1.00 0.00 N ATOM 480 CZ ARG A 31 -17.999 8.290 -3.870 1.00 0.00 C ATOM 481 NH1 ARG A 31 -18.056 7.583 -2.742 1.00 0.00 N ATOM 482 NH2 ARG A 31 -19.037 8.308 -4.692 1.00 0.00 N ATOM 0 H ARG A 31 -14.107 12.350 -2.918 1.00 0.00 H new ATOM 0 HA ARG A 31 -11.782 10.931 -2.351 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -13.143 9.021 -3.094 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -13.890 10.023 -1.865 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -15.281 11.091 -3.604 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -14.554 10.048 -4.810 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -15.175 8.089 -3.426 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -15.990 9.171 -2.314 1.00 0.00 H new ATOM 0 HE ARG A 31 -16.906 9.501 -5.055 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -17.256 7.567 -2.109 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -18.899 7.057 -2.512 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -18.994 8.848 -5.556 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -19.880 7.782 -4.461 1.00 0.00 H new ATOM 496 N THR A 32 -12.431 11.437 -5.461 1.00 0.00 N ATOM 497 CA THR A 32 -11.997 11.289 -6.815 1.00 0.00 C ATOM 498 C THR A 32 -10.646 11.945 -6.984 1.00 0.00 C ATOM 499 O THR A 32 -9.753 11.405 -7.641 1.00 0.00 O ATOM 500 CB THR A 32 -13.023 11.941 -7.749 1.00 0.00 C ATOM 501 OG1 THR A 32 -14.322 11.576 -7.279 1.00 0.00 O ATOM 502 CG2 THR A 32 -12.848 11.418 -9.168 1.00 0.00 C ATOM 0 H THR A 32 -13.219 12.076 -5.354 1.00 0.00 H new ATOM 0 HA THR A 32 -11.910 10.231 -7.063 1.00 0.00 H new ATOM 0 HB THR A 32 -12.891 13.023 -7.755 1.00 0.00 H new ATOM 0 HG1 THR A 32 -14.992 11.813 -7.953 1.00 0.00 H new ATOM 0 HG21 THR A 32 -13.582 11.888 -9.822 1.00 0.00 H new ATOM 0 HG22 THR A 32 -11.844 11.653 -9.521 1.00 0.00 H new ATOM 0 HG23 THR A 32 -12.992 10.338 -9.178 1.00 0.00 H new ATOM 510 N VAL A 33 -10.486 13.098 -6.354 1.00 0.00 N ATOM 511 CA VAL A 33 -9.242 13.805 -6.379 1.00 0.00 C ATOM 512 C VAL A 33 -8.250 13.022 -5.624 1.00 0.00 C ATOM 513 O VAL A 33 -7.100 12.884 -6.048 1.00 0.00 O ATOM 514 CB VAL A 33 -9.315 15.125 -5.662 1.00 0.00 C ATOM 515 CG1 VAL A 33 -8.304 16.023 -6.192 1.00 0.00 C ATOM 516 CG2 VAL A 33 -10.626 15.722 -5.756 1.00 0.00 C ATOM 0 H VAL A 33 -11.220 13.558 -5.816 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.988 13.959 -7.428 1.00 0.00 H new ATOM 0 HB VAL A 33 -9.124 14.945 -4.604 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -8.358 16.979 -5.672 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.316 15.586 -6.046 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -8.478 16.179 -7.257 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.632 16.673 -5.224 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -10.875 15.891 -6.804 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -11.363 15.053 -5.311 1.00 0.00 H new ATOM 526 N SER A 34 -8.707 12.501 -4.496 1.00 0.00 N ATOM 527 CA SER A 34 -7.874 11.751 -3.649 1.00 0.00 C ATOM 528 C SER A 34 -7.303 10.556 -4.410 1.00 0.00 C ATOM 529 O SER A 34 -6.136 10.318 -4.362 1.00 0.00 O ATOM 530 CB SER A 34 -8.596 11.322 -2.364 1.00 0.00 C ATOM 531 OG SER A 34 -9.043 12.461 -1.619 1.00 0.00 O ATOM 0 H SER A 34 -9.667 12.601 -4.167 1.00 0.00 H new ATOM 0 HA SER A 34 -7.046 12.385 -3.332 1.00 0.00 H new ATOM 0 HB2 SER A 34 -9.448 10.691 -2.615 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.925 10.722 -1.749 1.00 0.00 H new ATOM 0 HG SER A 34 -9.629 13.010 -2.181 1.00 0.00 H new ATOM 537 N LEU A 35 -8.158 9.874 -5.174 1.00 0.00 N ATOM 538 CA LEU A 35 -7.756 8.733 -6.000 1.00 0.00 C ATOM 539 C LEU A 35 -6.776 9.168 -7.104 1.00 0.00 C ATOM 540 O LEU A 35 -5.794 8.466 -7.374 1.00 0.00 O ATOM 541 CB LEU A 35 -8.980 8.069 -6.661 1.00 0.00 C ATOM 542 CG LEU A 35 -10.074 7.506 -5.750 1.00 0.00 C ATOM 543 CD1 LEU A 35 -11.249 7.017 -6.581 1.00 0.00 C ATOM 544 CD2 LEU A 35 -9.540 6.379 -4.901 1.00 0.00 C ATOM 0 H LEU A 35 -9.151 10.097 -5.238 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.266 8.017 -5.339 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -9.441 8.803 -7.322 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.619 7.256 -7.290 1.00 0.00 H new ATOM 0 HG LEU A 35 -10.411 8.305 -5.090 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -12.020 6.619 -5.922 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -11.657 7.847 -7.158 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -10.913 6.234 -7.261 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -10.336 5.996 -4.263 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -9.175 5.579 -5.546 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -8.723 6.747 -4.281 1.00 0.00 H new ATOM 556 N LYS A 36 -7.055 10.312 -7.753 1.00 0.00 N ATOM 557 CA LYS A 36 -6.206 10.849 -8.799 1.00 0.00 C ATOM 558 C LYS A 36 -4.807 11.094 -8.295 1.00 0.00 C ATOM 559 O LYS A 36 -3.829 10.674 -8.900 1.00 0.00 O ATOM 560 CB LYS A 36 -6.800 12.129 -9.322 1.00 0.00 C ATOM 561 CG LYS A 36 -7.934 11.911 -10.303 1.00 0.00 C ATOM 562 CD LYS A 36 -8.817 13.105 -10.301 1.00 0.00 C ATOM 563 CE LYS A 36 -10.057 12.933 -11.180 1.00 0.00 C ATOM 564 NZ LYS A 36 -9.761 12.959 -12.622 1.00 0.00 N ATOM 0 H LYS A 36 -7.879 10.881 -7.558 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.147 10.117 -9.605 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.165 12.721 -8.483 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.017 12.712 -9.807 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.537 11.739 -11.304 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.503 11.023 -10.028 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.130 13.317 -9.279 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.250 13.970 -10.647 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.540 11.987 -10.933 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.770 13.725 -10.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.635 12.787 -13.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.374 13.889 -12.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.065 12.220 -12.847 1.00 0.00 H new ATOM 578 N LEU A 37 -4.740 11.708 -7.134 1.00 0.00 N ATOM 579 CA LEU A 37 -3.494 12.062 -6.486 1.00 0.00 C ATOM 580 C LEU A 37 -2.929 10.856 -5.743 1.00 0.00 C ATOM 581 O LEU A 37 -1.785 10.862 -5.276 1.00 0.00 O ATOM 582 CB LEU A 37 -3.752 13.232 -5.535 1.00 0.00 C ATOM 583 CG LEU A 37 -2.565 13.861 -4.871 1.00 0.00 C ATOM 584 CD1 LEU A 37 -1.949 14.877 -5.763 1.00 0.00 C ATOM 585 CD2 LEU A 37 -2.910 14.428 -3.510 1.00 0.00 C ATOM 0 H LEU A 37 -5.567 11.981 -6.602 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.755 12.365 -7.228 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.276 14.009 -6.092 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.430 12.887 -4.754 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.825 13.080 -4.694 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.088 15.324 -5.265 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.626 14.401 -6.689 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.680 15.653 -5.990 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.020 14.874 -3.065 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.682 15.190 -3.618 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.276 13.629 -2.865 1.00 0.00 H new ATOM 597 N ASN A 38 -3.731 9.817 -5.657 1.00 0.00 N ATOM 598 CA ASN A 38 -3.330 8.593 -4.999 1.00 0.00 C ATOM 599 C ASN A 38 -2.707 7.659 -6.027 1.00 0.00 C ATOM 600 O ASN A 38 -2.278 6.536 -5.719 1.00 0.00 O ATOM 601 CB ASN A 38 -4.504 7.898 -4.303 1.00 0.00 C ATOM 602 CG ASN A 38 -4.067 6.949 -3.222 1.00 0.00 C ATOM 603 OD1 ASN A 38 -4.678 5.913 -2.993 1.00 0.00 O ATOM 604 ND2 ASN A 38 -3.042 7.323 -2.528 1.00 0.00 N ATOM 0 H ASN A 38 -4.676 9.797 -6.040 1.00 0.00 H new ATOM 0 HA ASN A 38 -2.604 8.846 -4.226 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -5.162 8.653 -3.872 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.087 7.352 -5.044 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -2.712 6.746 -1.754 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -2.563 8.195 -2.755 1.00 0.00 H new ATOM 611 N ASP A 39 -2.756 8.128 -7.259 1.00 0.00 N ATOM 612 CA ASP A 39 -2.162 7.490 -8.459 1.00 0.00 C ATOM 613 C ASP A 39 -3.003 6.298 -8.923 1.00 0.00 C ATOM 614 O ASP A 39 -2.557 5.444 -9.674 1.00 0.00 O ATOM 615 CB ASP A 39 -0.667 7.110 -8.208 1.00 0.00 C ATOM 616 CG ASP A 39 0.069 6.553 -9.426 1.00 0.00 C ATOM 617 OD1 ASP A 39 0.396 5.331 -9.446 1.00 0.00 O ATOM 618 OD2 ASP A 39 0.369 7.326 -10.361 1.00 0.00 O ATOM 0 H ASP A 39 -3.229 9.004 -7.480 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.170 8.214 -9.274 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.137 7.994 -7.855 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.625 6.372 -7.407 1.00 0.00 H new ATOM 623 N LYS A 40 -4.267 6.290 -8.530 1.00 0.00 N ATOM 624 CA LYS A 40 -5.175 5.245 -8.916 1.00 0.00 C ATOM 625 C LYS A 40 -5.690 5.530 -10.251 1.00 0.00 C ATOM 626 O LYS A 40 -6.066 4.629 -10.998 1.00 0.00 O ATOM 627 CB LYS A 40 -6.354 5.221 -7.993 1.00 0.00 C ATOM 628 CG LYS A 40 -5.994 5.067 -6.517 1.00 0.00 C ATOM 629 CD LYS A 40 -5.282 3.738 -6.271 1.00 0.00 C ATOM 630 CE LYS A 40 -5.183 3.376 -4.798 1.00 0.00 C ATOM 631 NZ LYS A 40 -6.491 2.998 -4.219 1.00 0.00 N ATOM 0 H LYS A 40 -4.682 7.009 -7.937 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.642 4.295 -8.884 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.921 6.143 -8.122 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.010 4.400 -8.282 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.353 5.892 -6.206 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.898 5.119 -5.910 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -5.813 2.946 -6.798 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.279 3.787 -6.695 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -4.483 2.549 -4.676 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -4.776 4.223 -4.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.351 2.631 -3.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.110 3.833 -4.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -6.932 2.263 -4.808 1.00 0.00 H new ATOM 645 N VAL A 41 -5.714 6.777 -10.566 1.00 0.00 N ATOM 646 CA VAL A 41 -6.320 7.170 -11.744 1.00 0.00 C ATOM 647 C VAL A 41 -5.334 8.026 -12.475 1.00 0.00 C ATOM 648 O VAL A 41 -4.283 8.371 -11.916 1.00 0.00 O ATOM 649 CB VAL A 41 -7.611 7.970 -11.486 1.00 0.00 C ATOM 650 CG1 VAL A 41 -8.665 7.387 -12.309 1.00 0.00 C ATOM 651 CG2 VAL A 41 -8.048 7.955 -10.056 1.00 0.00 C ATOM 0 H VAL A 41 -5.313 7.530 -10.007 1.00 0.00 H new ATOM 0 HA VAL A 41 -6.603 6.291 -12.323 1.00 0.00 H new ATOM 0 HB VAL A 41 -7.413 9.012 -11.738 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -9.595 7.932 -12.149 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -8.383 7.451 -13.360 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -8.805 6.342 -12.034 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -8.963 8.538 -9.949 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.234 6.928 -9.743 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.266 8.389 -9.432 1.00 0.00 H new ATOM 661 N THR A 42 -5.664 8.394 -13.656 1.00 0.00 N ATOM 662 CA THR A 42 -4.766 9.114 -14.510 1.00 0.00 C ATOM 663 C THR A 42 -5.086 10.607 -14.584 1.00 0.00 C ATOM 664 O THR A 42 -6.261 11.008 -14.712 1.00 0.00 O ATOM 665 CB THR A 42 -4.821 8.503 -15.919 1.00 0.00 C ATOM 666 OG1 THR A 42 -6.199 8.298 -16.285 1.00 0.00 O ATOM 667 CG2 THR A 42 -4.083 7.175 -15.972 1.00 0.00 C ATOM 0 H THR A 42 -6.576 8.206 -14.073 1.00 0.00 H new ATOM 0 HA THR A 42 -3.766 9.026 -14.086 1.00 0.00 H new ATOM 0 HB THR A 42 -4.338 9.189 -16.615 1.00 0.00 H new ATOM 0 HG1 THR A 42 -6.245 7.910 -17.184 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.139 6.767 -16.981 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.039 7.328 -15.700 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.541 6.476 -15.272 1.00 0.00 H new ATOM 675 N TRP A 43 -4.070 11.434 -14.458 1.00 0.00 N ATOM 676 CA TRP A 43 -4.237 12.841 -14.702 1.00 0.00 C ATOM 677 C TRP A 43 -4.196 13.099 -16.182 1.00 0.00 C ATOM 678 O TRP A 43 -3.115 13.137 -16.800 1.00 0.00 O ATOM 679 CB TRP A 43 -3.196 13.722 -14.000 1.00 0.00 C ATOM 680 CG TRP A 43 -3.408 13.921 -12.533 1.00 0.00 C ATOM 681 CD1 TRP A 43 -4.480 14.517 -11.932 1.00 0.00 C ATOM 682 CD2 TRP A 43 -2.496 13.592 -11.486 1.00 0.00 C ATOM 683 NE1 TRP A 43 -4.297 14.555 -10.573 1.00 0.00 N ATOM 684 CE2 TRP A 43 -3.085 13.994 -10.273 1.00 0.00 C ATOM 685 CE3 TRP A 43 -1.243 12.985 -11.455 1.00 0.00 C ATOM 686 CZ2 TRP A 43 -2.456 13.813 -9.047 1.00 0.00 C ATOM 687 CZ3 TRP A 43 -0.624 12.806 -10.244 1.00 0.00 C ATOM 688 CH2 TRP A 43 -1.233 13.217 -9.056 1.00 0.00 C ATOM 0 H TRP A 43 -3.127 11.154 -14.189 1.00 0.00 H new ATOM 0 HA TRP A 43 -5.205 13.115 -14.281 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -2.211 13.281 -14.151 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -3.186 14.699 -14.484 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -5.345 14.902 -12.451 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -4.957 14.939 -9.896 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -0.767 12.661 -12.369 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -2.919 14.132 -8.125 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 0.350 12.340 -10.209 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -0.719 13.057 -8.120 1.00 0.00 H new ATOM 699 N LYS A 44 -5.365 13.199 -16.769 1.00 0.00 N ATOM 700 CA LYS A 44 -5.484 13.529 -18.146 1.00 0.00 C ATOM 701 C LYS A 44 -5.025 14.951 -18.359 1.00 0.00 C ATOM 702 O LYS A 44 -5.070 15.757 -17.428 1.00 0.00 O ATOM 703 CB LYS A 44 -6.907 13.372 -18.602 1.00 0.00 C ATOM 704 CG LYS A 44 -7.426 11.961 -18.474 1.00 0.00 C ATOM 705 CD LYS A 44 -8.802 11.892 -19.023 1.00 0.00 C ATOM 706 CE LYS A 44 -9.471 10.557 -18.721 1.00 0.00 C ATOM 707 NZ LYS A 44 -10.817 10.461 -19.324 1.00 0.00 N ATOM 0 H LYS A 44 -6.255 13.051 -16.293 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.860 12.853 -18.731 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -7.543 14.039 -18.020 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.984 13.686 -19.643 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -6.774 11.272 -19.010 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -7.424 11.654 -17.428 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.401 12.701 -18.603 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -8.770 12.046 -20.102 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.847 9.746 -19.097 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.548 10.426 -17.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -11.236 9.537 -19.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -11.421 11.219 -18.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.743 10.559 -20.357 1.00 0.00 H new ATOM 721 N ASP A 45 -4.604 15.263 -19.556 1.00 0.00 N ATOM 722 CA ASP A 45 -4.099 16.603 -19.898 1.00 0.00 C ATOM 723 C ASP A 45 -5.096 17.695 -19.533 1.00 0.00 C ATOM 724 O ASP A 45 -4.722 18.722 -18.978 1.00 0.00 O ATOM 725 CB ASP A 45 -3.723 16.665 -21.385 1.00 0.00 C ATOM 726 CG ASP A 45 -3.350 18.050 -21.869 1.00 0.00 C ATOM 727 OD1 ASP A 45 -4.201 18.716 -22.516 1.00 0.00 O ATOM 728 OD2 ASP A 45 -2.199 18.478 -21.647 1.00 0.00 O ATOM 0 H ASP A 45 -4.594 14.606 -20.336 1.00 0.00 H new ATOM 0 HA ASP A 45 -3.202 16.785 -19.306 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -2.886 15.991 -21.566 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -4.562 16.298 -21.977 1.00 0.00 H new ATOM 733 N ASP A 46 -6.358 17.421 -19.777 1.00 0.00 N ATOM 734 CA ASP A 46 -7.454 18.348 -19.473 1.00 0.00 C ATOM 735 C ASP A 46 -7.526 18.648 -17.977 1.00 0.00 C ATOM 736 O ASP A 46 -7.786 19.783 -17.573 1.00 0.00 O ATOM 737 CB ASP A 46 -8.774 17.750 -19.946 1.00 0.00 C ATOM 738 CG ASP A 46 -9.958 18.652 -19.708 1.00 0.00 C ATOM 739 OD1 ASP A 46 -10.249 19.497 -20.566 1.00 0.00 O ATOM 740 OD2 ASP A 46 -10.652 18.491 -18.693 1.00 0.00 O ATOM 0 H ASP A 46 -6.668 16.544 -20.196 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.266 19.286 -19.996 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -8.703 17.529 -21.011 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -8.940 16.802 -19.434 1.00 0.00 H new ATOM 745 N GLU A 47 -7.207 17.642 -17.167 1.00 0.00 N ATOM 746 CA GLU A 47 -7.253 17.763 -15.709 1.00 0.00 C ATOM 747 C GLU A 47 -6.150 18.700 -15.280 1.00 0.00 C ATOM 748 O GLU A 47 -6.340 19.594 -14.444 1.00 0.00 O ATOM 749 CB GLU A 47 -7.006 16.397 -15.050 1.00 0.00 C ATOM 750 CG GLU A 47 -8.017 15.316 -15.389 1.00 0.00 C ATOM 751 CD GLU A 47 -9.372 15.588 -14.811 1.00 0.00 C ATOM 752 OE1 GLU A 47 -10.283 15.992 -15.544 1.00 0.00 O ATOM 753 OE2 GLU A 47 -9.556 15.384 -13.603 1.00 0.00 O ATOM 0 H GLU A 47 -6.911 16.724 -17.498 1.00 0.00 H new ATOM 0 HA GLU A 47 -8.232 18.135 -15.409 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.015 16.047 -15.340 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.993 16.532 -13.968 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.100 15.229 -16.472 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.655 14.357 -15.019 1.00 0.00 H new ATOM 760 N ILE A 48 -5.005 18.498 -15.899 1.00 0.00 N ATOM 761 CA ILE A 48 -3.818 19.260 -15.628 1.00 0.00 C ATOM 762 C ILE A 48 -4.043 20.712 -16.011 1.00 0.00 C ATOM 763 O ILE A 48 -3.744 21.604 -15.236 1.00 0.00 O ATOM 764 CB ILE A 48 -2.603 18.684 -16.404 1.00 0.00 C ATOM 765 CG1 ILE A 48 -2.444 17.194 -16.073 1.00 0.00 C ATOM 766 CG2 ILE A 48 -1.324 19.454 -16.063 1.00 0.00 C ATOM 767 CD1 ILE A 48 -1.297 16.517 -16.770 1.00 0.00 C ATOM 0 H ILE A 48 -4.878 17.785 -16.617 1.00 0.00 H new ATOM 0 HA ILE A 48 -3.600 19.198 -14.562 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.781 18.795 -17.474 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.312 17.087 -14.996 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.367 16.677 -16.334 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.486 19.032 -16.619 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.448 20.503 -16.333 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.126 19.376 -14.994 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.261 15.468 -16.477 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.434 16.588 -17.849 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.363 17.004 -16.490 1.00 0.00 H new ATOM 779 N LEU A 49 -4.626 20.932 -17.190 1.00 0.00 N ATOM 780 CA LEU A 49 -4.915 22.234 -17.697 1.00 0.00 C ATOM 781 C LEU A 49 -5.757 23.042 -16.737 1.00 0.00 C ATOM 782 O LEU A 49 -5.549 24.248 -16.589 1.00 0.00 O ATOM 783 CB LEU A 49 -5.645 22.102 -19.001 1.00 0.00 C ATOM 784 CG LEU A 49 -4.872 21.540 -20.176 1.00 0.00 C ATOM 785 CD1 LEU A 49 -5.775 21.453 -21.381 1.00 0.00 C ATOM 786 CD2 LEU A 49 -3.656 22.402 -20.487 1.00 0.00 C ATOM 0 H LEU A 49 -4.909 20.179 -17.818 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.969 22.758 -17.834 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -6.517 21.469 -18.837 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.015 23.088 -19.282 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.520 20.541 -19.918 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.217 21.048 -22.225 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.619 20.800 -21.157 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.143 22.448 -21.632 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.117 21.978 -21.334 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.980 23.413 -20.732 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.999 22.432 -19.618 1.00 0.00 H new ATOM 798 N LYS A 50 -6.708 22.396 -16.104 1.00 0.00 N ATOM 799 CA LYS A 50 -7.539 23.048 -15.148 1.00 0.00 C ATOM 800 C LYS A 50 -6.733 23.393 -13.901 1.00 0.00 C ATOM 801 O LYS A 50 -6.665 24.561 -13.505 1.00 0.00 O ATOM 802 CB LYS A 50 -8.716 22.173 -14.802 1.00 0.00 C ATOM 803 CG LYS A 50 -9.677 21.800 -15.956 1.00 0.00 C ATOM 804 CD LYS A 50 -10.423 22.996 -16.585 1.00 0.00 C ATOM 805 CE LYS A 50 -9.605 23.724 -17.660 1.00 0.00 C ATOM 806 NZ LYS A 50 -10.311 24.908 -18.196 1.00 0.00 N ATOM 0 H LYS A 50 -6.918 21.408 -16.244 1.00 0.00 H new ATOM 0 HA LYS A 50 -7.917 23.975 -15.578 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.335 21.249 -14.366 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.296 22.675 -14.027 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.108 21.293 -16.735 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -10.412 21.086 -15.583 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -11.356 22.643 -17.025 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -10.689 23.703 -15.799 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.649 24.034 -17.238 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.385 23.035 -18.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.720 25.367 -18.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.212 24.611 -18.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -10.498 25.579 -17.424 1.00 0.00 H new ATOM 820 N ALA A 51 -6.054 22.388 -13.348 1.00 0.00 N ATOM 821 CA ALA A 51 -5.258 22.542 -12.123 1.00 0.00 C ATOM 822 C ALA A 51 -4.208 23.648 -12.257 1.00 0.00 C ATOM 823 O ALA A 51 -4.072 24.491 -11.371 1.00 0.00 O ATOM 824 CB ALA A 51 -4.591 21.223 -11.753 1.00 0.00 C ATOM 0 H ALA A 51 -6.038 21.444 -13.734 1.00 0.00 H new ATOM 0 HA ALA A 51 -5.942 22.833 -11.326 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.005 21.354 -10.843 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -5.355 20.463 -11.586 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.935 20.907 -12.564 1.00 0.00 H new ATOM 830 N VAL A 52 -3.516 23.670 -13.387 1.00 0.00 N ATOM 831 CA VAL A 52 -2.461 24.654 -13.665 1.00 0.00 C ATOM 832 C VAL A 52 -2.978 26.103 -13.593 1.00 0.00 C ATOM 833 O VAL A 52 -2.249 27.003 -13.200 1.00 0.00 O ATOM 834 CB VAL A 52 -1.777 24.378 -15.054 1.00 0.00 C ATOM 835 CG1 VAL A 52 -0.773 25.459 -15.431 1.00 0.00 C ATOM 836 CG2 VAL A 52 -1.066 23.042 -15.027 1.00 0.00 C ATOM 0 H VAL A 52 -3.666 23.005 -14.146 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.712 24.538 -12.882 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.571 24.375 -15.801 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.329 25.222 -16.398 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.280 26.422 -15.491 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.010 25.508 -14.674 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.596 22.860 -15.993 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.303 23.051 -14.248 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.786 22.251 -14.820 1.00 0.00 H new ATOM 846 N HIS A 53 -4.232 26.308 -13.903 1.00 0.00 N ATOM 847 CA HIS A 53 -4.775 27.659 -13.937 1.00 0.00 C ATOM 848 C HIS A 53 -5.361 28.047 -12.594 1.00 0.00 C ATOM 849 O HIS A 53 -5.413 29.223 -12.239 1.00 0.00 O ATOM 850 CB HIS A 53 -5.858 27.750 -14.989 1.00 0.00 C ATOM 851 CG HIS A 53 -6.235 29.166 -15.346 1.00 0.00 C ATOM 852 ND1 HIS A 53 -7.488 29.695 -15.144 1.00 0.00 N ATOM 853 CD2 HIS A 53 -5.504 30.155 -15.907 1.00 0.00 C ATOM 854 CE1 HIS A 53 -7.507 30.943 -15.565 1.00 0.00 C ATOM 855 NE2 HIS A 53 -6.318 31.242 -16.029 1.00 0.00 N ATOM 0 H HIS A 53 -4.898 25.571 -14.135 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.960 28.342 -14.176 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -5.523 27.234 -15.889 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -6.745 27.226 -14.632 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -4.467 30.095 -16.204 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -8.358 31.607 -15.533 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -6.045 32.144 -16.419 1.00 0.00 H new ATOM 863 N VAL A 54 -5.777 27.065 -11.855 1.00 0.00 N ATOM 864 CA VAL A 54 -6.455 27.310 -10.596 1.00 0.00 C ATOM 865 C VAL A 54 -5.427 27.442 -9.506 1.00 0.00 C ATOM 866 O VAL A 54 -5.364 28.436 -8.786 1.00 0.00 O ATOM 867 CB VAL A 54 -7.463 26.165 -10.250 1.00 0.00 C ATOM 868 CG1 VAL A 54 -8.120 26.390 -8.891 1.00 0.00 C ATOM 869 CG2 VAL A 54 -8.528 26.037 -11.330 1.00 0.00 C ATOM 0 H VAL A 54 -5.664 26.080 -12.093 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.029 28.232 -10.685 1.00 0.00 H new ATOM 0 HB VAL A 54 -6.895 25.236 -10.203 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -8.814 25.576 -8.683 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.353 26.420 -8.117 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -8.662 27.335 -8.901 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -9.218 25.235 -11.068 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -9.077 26.975 -11.412 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.053 25.810 -12.284 1.00 0.00 H new ATOM 879 N LEU A 55 -4.615 26.448 -9.411 1.00 0.00 N ATOM 880 CA LEU A 55 -3.580 26.361 -8.466 1.00 0.00 C ATOM 881 C LEU A 55 -2.415 27.265 -8.834 1.00 0.00 C ATOM 882 O LEU A 55 -1.635 27.672 -7.963 1.00 0.00 O ATOM 883 CB LEU A 55 -3.158 24.924 -8.463 1.00 0.00 C ATOM 884 CG LEU A 55 -3.997 23.924 -7.655 1.00 0.00 C ATOM 885 CD1 LEU A 55 -3.692 24.021 -6.179 1.00 0.00 C ATOM 886 CD2 LEU A 55 -5.505 24.087 -7.865 1.00 0.00 C ATOM 0 H LEU A 55 -4.665 25.636 -10.027 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.916 26.687 -7.482 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.136 24.581 -9.497 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.135 24.878 -8.090 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.714 22.941 -8.030 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.302 23.301 -5.633 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -2.637 23.805 -6.011 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.917 25.028 -5.826 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.038 23.349 -7.265 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.808 25.089 -7.562 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.744 23.939 -8.918 1.00 0.00 H new ATOM 898 N GLU A 56 -2.357 27.615 -10.108 1.00 0.00 N ATOM 899 CA GLU A 56 -1.301 28.428 -10.708 1.00 0.00 C ATOM 900 C GLU A 56 0.018 27.698 -10.706 1.00 0.00 C ATOM 901 O GLU A 56 0.806 27.768 -9.754 1.00 0.00 O ATOM 902 CB GLU A 56 -1.166 29.827 -10.107 1.00 0.00 C ATOM 903 CG GLU A 56 -2.409 30.682 -10.234 1.00 0.00 C ATOM 904 CD GLU A 56 -2.178 32.064 -9.709 1.00 0.00 C ATOM 905 OE1 GLU A 56 -2.149 33.017 -10.503 1.00 0.00 O ATOM 906 OE2 GLU A 56 -1.985 32.220 -8.482 1.00 0.00 O ATOM 0 H GLU A 56 -3.069 27.332 -10.782 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.610 28.589 -11.741 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.910 29.733 -9.052 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.335 30.340 -10.592 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.711 30.734 -11.280 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.230 30.216 -9.688 1.00 0.00 H new ATOM 913 N LEU A 57 0.218 26.957 -11.740 1.00 0.00 N ATOM 914 CA LEU A 57 1.410 26.201 -11.939 1.00 0.00 C ATOM 915 C LEU A 57 2.029 26.656 -13.229 1.00 0.00 C ATOM 916 O LEU A 57 1.443 27.474 -13.940 1.00 0.00 O ATOM 917 CB LEU A 57 1.098 24.724 -12.015 1.00 0.00 C ATOM 918 CG LEU A 57 0.401 24.089 -10.800 1.00 0.00 C ATOM 919 CD1 LEU A 57 0.073 22.632 -11.076 1.00 0.00 C ATOM 920 CD2 LEU A 57 1.272 24.199 -9.559 1.00 0.00 C ATOM 0 H LEU A 57 -0.462 26.856 -12.494 1.00 0.00 H new ATOM 0 HA LEU A 57 2.093 26.357 -11.104 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.470 24.556 -12.890 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.033 24.190 -12.186 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.527 24.632 -10.622 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.420 22.199 -10.206 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.590 22.565 -11.939 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.993 22.085 -11.282 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.758 23.743 -8.712 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.217 23.683 -9.731 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.466 25.250 -9.343 1.00 0.00 H new ATOM 932 N ASN A 58 3.165 26.147 -13.550 1.00 0.00 N ATOM 933 CA ASN A 58 3.839 26.527 -14.760 1.00 0.00 C ATOM 934 C ASN A 58 4.233 25.268 -15.504 1.00 0.00 C ATOM 935 O ASN A 58 4.519 24.263 -14.856 1.00 0.00 O ATOM 936 CB ASN A 58 5.082 27.351 -14.405 1.00 0.00 C ATOM 937 CG ASN A 58 5.802 27.903 -15.603 1.00 0.00 C ATOM 938 OD1 ASN A 58 6.695 27.274 -16.138 1.00 0.00 O ATOM 939 ND2 ASN A 58 5.403 29.061 -16.037 1.00 0.00 N ATOM 0 H ASN A 58 3.661 25.455 -12.988 1.00 0.00 H new ATOM 0 HA ASN A 58 3.188 27.132 -15.391 1.00 0.00 H new ATOM 0 HB2 ASN A 58 4.787 28.176 -13.757 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.770 26.727 -13.834 1.00 0.00 H new ATOM 0 HD21 ASN A 58 5.843 29.477 -16.858 1.00 0.00 H new ATOM 0 HD22 ASN A 58 4.650 29.554 -15.557 1.00 0.00 H new ATOM 946 N PRO A 59 4.204 25.270 -16.866 1.00 0.00 N ATOM 947 CA PRO A 59 4.622 24.119 -17.692 1.00 0.00 C ATOM 948 C PRO A 59 5.997 23.537 -17.292 1.00 0.00 C ATOM 949 O PRO A 59 6.224 22.328 -17.410 1.00 0.00 O ATOM 950 CB PRO A 59 4.670 24.680 -19.127 1.00 0.00 C ATOM 951 CG PRO A 59 4.437 26.152 -19.002 1.00 0.00 C ATOM 952 CD PRO A 59 3.702 26.363 -17.714 1.00 0.00 C ATOM 0 HA PRO A 59 3.929 23.286 -17.569 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.634 24.476 -19.594 1.00 0.00 H new ATOM 0 HB3 PRO A 59 3.908 24.216 -19.753 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.382 26.695 -19.002 1.00 0.00 H new ATOM 0 HG3 PRO A 59 3.855 26.525 -19.845 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.916 27.341 -17.282 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.622 26.305 -17.851 1.00 0.00 H new ATOM 960 N GLN A 60 6.890 24.395 -16.794 1.00 0.00 N ATOM 961 CA GLN A 60 8.208 23.995 -16.338 1.00 0.00 C ATOM 962 C GLN A 60 8.072 23.055 -15.129 1.00 0.00 C ATOM 963 O GLN A 60 8.756 22.039 -15.034 1.00 0.00 O ATOM 964 CB GLN A 60 8.976 25.292 -15.978 1.00 0.00 C ATOM 965 CG GLN A 60 10.446 25.194 -15.573 1.00 0.00 C ATOM 966 CD GLN A 60 10.707 24.643 -14.169 1.00 0.00 C ATOM 967 OE1 GLN A 60 10.943 23.452 -13.972 1.00 0.00 O ATOM 968 NE2 GLN A 60 10.614 25.497 -13.183 1.00 0.00 N ATOM 0 H GLN A 60 6.710 25.394 -16.698 1.00 0.00 H new ATOM 0 HA GLN A 60 8.755 23.448 -17.106 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.915 25.960 -16.837 1.00 0.00 H new ATOM 0 HB3 GLN A 60 8.441 25.775 -15.160 1.00 0.00 H new ATOM 0 HG2 GLN A 60 10.962 24.561 -16.295 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.891 26.186 -15.644 1.00 0.00 H new ATOM 0 HE21 GLN A 60 10.417 26.479 -13.376 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.738 25.181 -12.221 1.00 0.00 H new ATOM 977 N ASP A 61 7.127 23.359 -14.269 1.00 0.00 N ATOM 978 CA ASP A 61 6.935 22.686 -13.043 1.00 0.00 C ATOM 979 C ASP A 61 6.074 21.437 -13.170 1.00 0.00 C ATOM 980 O ASP A 61 5.873 20.734 -12.199 1.00 0.00 O ATOM 981 CB ASP A 61 6.338 23.643 -12.048 1.00 0.00 C ATOM 982 CG ASP A 61 7.363 24.428 -11.261 1.00 0.00 C ATOM 983 OD1 ASP A 61 8.044 23.853 -10.402 1.00 0.00 O ATOM 984 OD2 ASP A 61 7.474 25.660 -11.463 1.00 0.00 O ATOM 0 H ASP A 61 6.457 24.111 -14.427 1.00 0.00 H new ATOM 0 HA ASP A 61 7.910 22.341 -12.700 1.00 0.00 H new ATOM 0 HB2 ASP A 61 5.687 24.341 -12.575 1.00 0.00 H new ATOM 0 HB3 ASP A 61 5.711 23.085 -11.353 1.00 0.00 H new ATOM 989 N ILE A 62 5.549 21.165 -14.354 1.00 0.00 N ATOM 990 CA ILE A 62 4.720 19.966 -14.558 1.00 0.00 C ATOM 991 C ILE A 62 5.448 18.646 -14.155 1.00 0.00 C ATOM 992 O ILE A 62 4.929 17.891 -13.311 1.00 0.00 O ATOM 993 CB ILE A 62 4.118 19.881 -15.987 1.00 0.00 C ATOM 994 CG1 ILE A 62 3.208 21.087 -16.230 1.00 0.00 C ATOM 995 CG2 ILE A 62 3.346 18.575 -16.198 1.00 0.00 C ATOM 996 CD1 ILE A 62 2.066 21.234 -15.239 1.00 0.00 C ATOM 0 H ILE A 62 5.674 21.744 -15.185 1.00 0.00 H new ATOM 0 HA ILE A 62 3.880 20.079 -13.873 1.00 0.00 H new ATOM 0 HB ILE A 62 4.937 19.892 -16.706 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.814 21.993 -16.202 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.791 21.013 -17.235 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.940 18.552 -17.209 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.018 17.728 -16.058 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.530 18.514 -15.478 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.476 22.115 -15.491 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.431 20.349 -15.281 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.470 21.343 -14.232 1.00 0.00 H new ATOM 1008 N PRO A 63 6.692 18.364 -14.672 1.00 0.00 N ATOM 1009 CA PRO A 63 7.437 17.147 -14.297 1.00 0.00 C ATOM 1010 C PRO A 63 7.990 17.267 -12.887 1.00 0.00 C ATOM 1011 O PRO A 63 8.460 16.316 -12.292 1.00 0.00 O ATOM 1012 CB PRO A 63 8.604 17.112 -15.289 1.00 0.00 C ATOM 1013 CG PRO A 63 8.272 18.116 -16.336 1.00 0.00 C ATOM 1014 CD PRO A 63 7.466 19.162 -15.645 1.00 0.00 C ATOM 0 HA PRO A 63 6.809 16.256 -14.324 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.545 17.357 -14.796 1.00 0.00 H new ATOM 0 HB3 PRO A 63 8.720 16.118 -15.722 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.176 18.542 -16.772 1.00 0.00 H new ATOM 0 HG3 PRO A 63 7.709 17.661 -17.151 1.00 0.00 H new ATOM 0 HD2 PRO A 63 8.096 19.904 -15.154 1.00 0.00 H new ATOM 0 HD3 PRO A 63 6.819 19.701 -16.337 1.00 0.00 H new ATOM 1022 N LYS A 64 7.909 18.452 -12.389 1.00 0.00 N ATOM 1023 CA LYS A 64 8.404 18.821 -11.083 1.00 0.00 C ATOM 1024 C LYS A 64 7.337 18.633 -10.016 1.00 0.00 C ATOM 1025 O LYS A 64 7.620 18.696 -8.831 1.00 0.00 O ATOM 1026 CB LYS A 64 8.838 20.271 -11.123 1.00 0.00 C ATOM 1027 CG LYS A 64 9.871 20.549 -12.191 1.00 0.00 C ATOM 1028 CD LYS A 64 11.193 19.909 -11.858 1.00 0.00 C ATOM 1029 CE LYS A 64 12.217 20.169 -12.941 1.00 0.00 C ATOM 1030 NZ LYS A 64 13.541 19.619 -12.597 1.00 0.00 N ATOM 0 H LYS A 64 7.481 19.230 -12.890 1.00 0.00 H new ATOM 0 HA LYS A 64 9.246 18.178 -10.829 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.966 20.901 -11.296 1.00 0.00 H new ATOM 0 HB3 LYS A 64 9.244 20.550 -10.151 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.515 20.173 -13.150 1.00 0.00 H new ATOM 0 HG3 LYS A 64 10.003 21.625 -12.300 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.559 20.298 -10.908 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.058 18.835 -11.732 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.874 19.728 -13.877 1.00 0.00 H new ATOM 0 HE3 LYS A 64 12.303 21.243 -13.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 14.211 19.820 -13.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.882 20.058 -11.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.466 18.590 -12.464 1.00 0.00 H new ATOM 1044 N TYR A 65 6.111 18.452 -10.433 1.00 0.00 N ATOM 1045 CA TYR A 65 5.025 18.227 -9.514 1.00 0.00 C ATOM 1046 C TYR A 65 4.409 16.871 -9.721 1.00 0.00 C ATOM 1047 O TYR A 65 4.495 16.011 -8.861 1.00 0.00 O ATOM 1048 CB TYR A 65 3.955 19.304 -9.649 1.00 0.00 C ATOM 1049 CG TYR A 65 4.245 20.602 -8.924 1.00 0.00 C ATOM 1050 CD1 TYR A 65 3.380 21.043 -7.960 1.00 0.00 C ATOM 1051 CD2 TYR A 65 5.365 21.372 -9.192 1.00 0.00 C ATOM 1052 CE1 TYR A 65 3.603 22.213 -7.272 1.00 0.00 C ATOM 1053 CE2 TYR A 65 5.603 22.547 -8.510 1.00 0.00 C ATOM 1054 CZ TYR A 65 4.716 22.962 -7.549 1.00 0.00 C ATOM 1055 OH TYR A 65 4.939 24.135 -6.858 1.00 0.00 O ATOM 0 H TYR A 65 5.837 18.456 -11.416 1.00 0.00 H new ATOM 0 HA TYR A 65 5.441 18.272 -8.508 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.815 19.522 -10.708 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.011 18.903 -9.278 1.00 0.00 H new ATOM 0 HD1 TYR A 65 2.501 20.458 -7.734 1.00 0.00 H new ATOM 0 HD2 TYR A 65 6.064 21.047 -9.948 1.00 0.00 H new ATOM 0 HE1 TYR A 65 2.904 22.540 -6.517 1.00 0.00 H new ATOM 0 HE2 TYR A 65 6.481 23.136 -8.731 1.00 0.00 H new ATOM 0 HH TYR A 65 5.771 24.547 -7.172 1.00 0.00 H new ATOM 1065 N PHE A 66 3.851 16.663 -10.896 1.00 0.00 N ATOM 1066 CA PHE A 66 3.120 15.438 -11.199 1.00 0.00 C ATOM 1067 C PHE A 66 4.062 14.262 -11.397 1.00 0.00 C ATOM 1068 O PHE A 66 3.662 13.101 -11.289 1.00 0.00 O ATOM 1069 CB PHE A 66 2.220 15.638 -12.430 1.00 0.00 C ATOM 1070 CG PHE A 66 1.161 16.692 -12.231 1.00 0.00 C ATOM 1071 CD1 PHE A 66 -0.074 16.354 -11.708 1.00 0.00 C ATOM 1072 CD2 PHE A 66 1.405 18.021 -12.552 1.00 0.00 C ATOM 1073 CE1 PHE A 66 -1.045 17.314 -11.503 1.00 0.00 C ATOM 1074 CE2 PHE A 66 0.436 18.986 -12.352 1.00 0.00 C ATOM 1075 CZ PHE A 66 -0.791 18.630 -11.825 1.00 0.00 C ATOM 0 H PHE A 66 3.888 17.330 -11.667 1.00 0.00 H new ATOM 0 HA PHE A 66 2.486 15.206 -10.343 1.00 0.00 H new ATOM 0 HB2 PHE A 66 2.840 15.913 -13.284 1.00 0.00 H new ATOM 0 HB3 PHE A 66 1.739 14.692 -12.677 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.282 15.324 -11.456 1.00 0.00 H new ATOM 0 HD2 PHE A 66 2.363 18.304 -12.963 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -2.003 17.034 -11.091 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.637 20.016 -12.607 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.550 19.382 -11.666 1.00 0.00 H new ATOM 1085 N PHE A 67 5.311 14.563 -11.679 1.00 0.00 N ATOM 1086 CA PHE A 67 6.300 13.530 -11.884 1.00 0.00 C ATOM 1087 C PHE A 67 7.500 13.763 -11.000 1.00 0.00 C ATOM 1088 O PHE A 67 8.610 13.323 -11.330 1.00 0.00 O ATOM 1089 CB PHE A 67 6.752 13.450 -13.341 1.00 0.00 C ATOM 1090 CG PHE A 67 5.652 13.177 -14.312 1.00 0.00 C ATOM 1091 CD1 PHE A 67 4.885 14.209 -14.806 1.00 0.00 C ATOM 1092 CD2 PHE A 67 5.393 11.888 -14.732 1.00 0.00 C ATOM 1093 CE1 PHE A 67 3.871 13.967 -15.705 1.00 0.00 C ATOM 1094 CE2 PHE A 67 4.381 11.631 -15.630 1.00 0.00 C ATOM 1095 CZ PHE A 67 3.617 12.673 -16.120 1.00 0.00 C ATOM 0 H PHE A 67 5.665 15.515 -11.771 1.00 0.00 H new ATOM 0 HA PHE A 67 5.828 12.583 -11.622 1.00 0.00 H new ATOM 0 HB2 PHE A 67 7.235 14.389 -13.611 1.00 0.00 H new ATOM 0 HB3 PHE A 67 7.505 12.667 -13.433 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.082 15.221 -14.484 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.990 11.072 -14.352 1.00 0.00 H new ATOM 0 HE1 PHE A 67 3.276 14.785 -16.085 1.00 0.00 H new ATOM 0 HE2 PHE A 67 4.185 10.618 -15.950 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.823 12.477 -16.826 1.00 0.00 H new ATOM 1105 N ASN A 68 7.290 14.472 -9.896 1.00 0.00 N ATOM 1106 CA ASN A 68 8.291 14.710 -8.928 1.00 0.00 C ATOM 1107 C ASN A 68 8.931 13.413 -8.474 1.00 0.00 C ATOM 1108 O ASN A 68 8.295 12.589 -7.835 1.00 0.00 O ATOM 1109 CB ASN A 68 7.660 15.346 -7.737 1.00 0.00 C ATOM 1110 CG ASN A 68 8.684 15.930 -6.879 1.00 0.00 C ATOM 1111 OD1 ASN A 68 9.252 15.294 -6.012 1.00 0.00 O ATOM 1112 ND2 ASN A 68 8.935 17.138 -7.117 1.00 0.00 N ATOM 0 H ASN A 68 6.391 14.896 -9.668 1.00 0.00 H new ATOM 0 HA ASN A 68 9.053 15.351 -9.372 1.00 0.00 H new ATOM 0 HB2 ASN A 68 6.959 16.117 -8.056 1.00 0.00 H new ATOM 0 HB3 ASN A 68 7.087 14.605 -7.180 1.00 0.00 H new ATOM 0 HD21 ASN A 68 9.643 17.629 -6.571 1.00 0.00 H new ATOM 0 HD22 ASN A 68 8.430 17.628 -7.856 1.00 0.00 H new ATOM 1119 N ALA A 69 10.165 13.235 -8.817 1.00 0.00 N ATOM 1120 CA ALA A 69 10.892 12.059 -8.438 1.00 0.00 C ATOM 1121 C ALA A 69 11.912 12.432 -7.395 1.00 0.00 C ATOM 1122 O ALA A 69 12.988 11.827 -7.298 1.00 0.00 O ATOM 1123 CB ALA A 69 11.558 11.451 -9.657 1.00 0.00 C ATOM 0 H ALA A 69 10.703 13.902 -9.370 1.00 0.00 H new ATOM 0 HA ALA A 69 10.213 11.316 -8.020 1.00 0.00 H new ATOM 0 HB1 ALA A 69 12.109 10.558 -9.363 1.00 0.00 H new ATOM 0 HB2 ALA A 69 10.798 11.183 -10.391 1.00 0.00 H new ATOM 0 HB3 ALA A 69 12.246 12.174 -10.094 1.00 0.00 H new ATOM 1129 N LYS A 70 11.560 13.389 -6.572 1.00 0.00 N ATOM 1130 CA LYS A 70 12.464 13.866 -5.561 1.00 0.00 C ATOM 1131 C LYS A 70 12.342 13.062 -4.320 1.00 0.00 C ATOM 1132 O LYS A 70 11.712 13.447 -3.326 1.00 0.00 O ATOM 1133 CB LYS A 70 12.364 15.374 -5.329 1.00 0.00 C ATOM 1134 CG LYS A 70 13.434 15.942 -4.419 1.00 0.00 C ATOM 1135 CD LYS A 70 13.280 17.442 -4.220 1.00 0.00 C ATOM 1136 CE LYS A 70 13.351 18.205 -5.538 1.00 0.00 C ATOM 1137 NZ LYS A 70 13.255 19.663 -5.341 1.00 0.00 N ATOM 0 H LYS A 70 10.651 13.852 -6.585 1.00 0.00 H new ATOM 0 HA LYS A 70 13.478 13.719 -5.933 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.417 15.881 -6.292 1.00 0.00 H new ATOM 0 HB3 LYS A 70 11.386 15.599 -4.904 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.389 15.442 -3.451 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.417 15.732 -4.841 1.00 0.00 H new ATOM 0 HD2 LYS A 70 12.326 17.647 -3.734 1.00 0.00 H new ATOM 0 HD3 LYS A 70 14.062 17.801 -3.551 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.288 17.969 -6.043 1.00 0.00 H new ATOM 0 HE3 LYS A 70 12.544 17.874 -6.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 13.308 20.142 -6.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 12.350 19.893 -4.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.040 19.984 -4.739 1.00 0.00 H new ATOM 1151 N VAL A 71 12.882 11.907 -4.439 1.00 0.00 N ATOM 1152 CA VAL A 71 12.974 10.963 -3.415 1.00 0.00 C ATOM 1153 C VAL A 71 14.372 10.379 -3.525 1.00 0.00 C ATOM 1154 O VAL A 71 14.667 9.642 -4.467 1.00 0.00 O ATOM 1155 CB VAL A 71 11.935 9.828 -3.582 1.00 0.00 C ATOM 1156 CG1 VAL A 71 12.043 8.919 -2.422 1.00 0.00 C ATOM 1157 CG2 VAL A 71 10.505 10.357 -3.700 1.00 0.00 C ATOM 0 H VAL A 71 13.295 11.585 -5.314 1.00 0.00 H new ATOM 0 HA VAL A 71 12.780 11.430 -2.449 1.00 0.00 H new ATOM 0 HB VAL A 71 12.152 9.300 -4.510 1.00 0.00 H new ATOM 0 HG11 VAL A 71 11.317 8.112 -2.523 1.00 0.00 H new ATOM 0 HG12 VAL A 71 13.048 8.500 -2.381 1.00 0.00 H new ATOM 0 HG13 VAL A 71 11.843 9.474 -1.505 1.00 0.00 H new ATOM 0 HG21 VAL A 71 9.816 9.520 -3.815 1.00 0.00 H new ATOM 0 HG22 VAL A 71 10.249 10.917 -2.801 1.00 0.00 H new ATOM 0 HG23 VAL A 71 10.430 11.011 -4.568 1.00 0.00 H new ATOM 1167 N HIS A 72 15.254 10.774 -2.651 1.00 0.00 N ATOM 1168 CA HIS A 72 16.621 10.281 -2.737 1.00 0.00 C ATOM 1169 C HIS A 72 16.791 8.991 -1.948 1.00 0.00 C ATOM 1170 O HIS A 72 16.677 7.905 -2.542 1.00 0.00 O ATOM 1171 CB HIS A 72 17.703 11.363 -2.396 1.00 0.00 C ATOM 1172 CG HIS A 72 17.765 11.865 -0.969 1.00 0.00 C ATOM 1173 ND1 HIS A 72 18.858 11.685 -0.153 1.00 0.00 N ATOM 1174 CD2 HIS A 72 16.883 12.577 -0.240 1.00 0.00 C ATOM 1175 CE1 HIS A 72 18.635 12.263 1.008 1.00 0.00 C ATOM 1176 NE2 HIS A 72 17.443 12.810 0.981 1.00 0.00 N ATOM 0 H HIS A 72 15.069 11.420 -1.884 1.00 0.00 H new ATOM 0 HA HIS A 72 16.802 10.042 -3.785 1.00 0.00 H new ATOM 0 HB2 HIS A 72 18.680 10.953 -2.651 1.00 0.00 H new ATOM 0 HB3 HIS A 72 17.537 12.221 -3.047 1.00 0.00 H new ATOM 0 HD2 HIS A 72 15.907 12.905 -0.565 1.00 0.00 H new ATOM 0 HE1 HIS A 72 19.319 12.284 1.843 1.00 0.00 H new ATOM 0 HE2 HIS A 72 17.007 13.324 1.747 1.00 0.00 H new TER 1184 HIS A 72