USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 511 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 19 MET CE :methyl -147:sc= -0.473 (180deg=-1.88!) USER MOD Single : A 25 SER OG : rot -129:sc= -4.58! USER MOD Single : A 27 ASN : amide:sc= -0.0446 K(o=-0.045,f=-1.6!) USER MOD Single : A 28 HIS : no HD1:sc= -0.0727 X(o=-0.073,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -25:sc= 0.224! USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 ASN : amide:sc= -0.951 X(o=-0.95,f=-0.71) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot -162:sc= -8.44! USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= -2.92! USER MOD Single : A 68 LYS NZ :NH3+ 174:sc= -0.079 (180deg=-0.17) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 149:sc= -0.134 (180deg=-0.734) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 17 -8.447 6.310 8.921 1.00 0.00 N ATOM 2 CA GLY A 17 -7.169 6.204 9.600 1.00 0.00 C ATOM 3 C GLY A 17 -6.119 5.507 8.758 1.00 0.00 C ATOM 4 O GLY A 17 -4.940 5.857 8.807 1.00 0.00 O ATOM 0 HA2 GLY A 17 -6.817 7.202 9.861 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.302 5.658 10.534 1.00 0.00 H new ATOM 8 N LEU A 18 -6.549 4.516 7.984 1.00 0.00 N ATOM 9 CA LEU A 18 -5.640 3.764 7.128 1.00 0.00 C ATOM 10 C LEU A 18 -6.171 3.708 5.698 1.00 0.00 C ATOM 11 O LEU A 18 -6.944 2.799 5.342 1.00 0.00 O ATOM 12 CB LEU A 18 -5.451 2.349 7.676 1.00 0.00 C ATOM 13 CG LEU A 18 -4.290 2.186 8.659 1.00 0.00 C ATOM 14 CD1 LEU A 18 -4.779 2.336 10.092 1.00 0.00 C ATOM 15 CD2 LEU A 18 -3.611 0.838 8.465 1.00 0.00 C ATOM 0 H LEU A 18 -7.522 4.215 7.932 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.675 4.272 7.118 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.372 2.041 8.171 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.296 1.669 6.838 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.559 2.970 8.461 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.940 2.217 10.777 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.219 3.325 10.225 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.530 1.574 10.302 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.788 0.740 9.173 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.333 0.039 8.635 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.225 0.768 7.448 1.00 0.00 H new ATOM 27 N MET A 19 -5.727 4.661 4.868 1.00 0.00 N ATOM 28 CA MET A 19 -6.150 4.699 3.470 1.00 0.00 C ATOM 29 C MET A 19 -5.010 4.200 2.622 1.00 0.00 C ATOM 30 O MET A 19 -3.898 4.719 2.715 1.00 0.00 O ATOM 31 CB MET A 19 -6.544 6.120 3.060 1.00 0.00 C ATOM 32 CG MET A 19 -8.041 6.304 2.868 1.00 0.00 C ATOM 33 SD MET A 19 -8.531 6.250 1.133 1.00 0.00 S ATOM 34 CE MET A 19 -7.488 7.536 0.448 1.00 0.00 C ATOM 0 H MET A 19 -5.084 5.405 5.139 1.00 0.00 H new ATOM 0 HA MET A 19 -7.026 4.065 3.330 1.00 0.00 H new ATOM 0 HB2 MET A 19 -6.195 6.819 3.820 1.00 0.00 H new ATOM 0 HB3 MET A 19 -6.033 6.377 2.132 1.00 0.00 H new ATOM 0 HG2 MET A 19 -8.572 5.526 3.416 1.00 0.00 H new ATOM 0 HG3 MET A 19 -8.344 7.259 3.297 1.00 0.00 H new ATOM 0 HE1 MET A 19 -8.011 8.031 -0.371 1.00 0.00 H new ATOM 0 HE2 MET A 19 -7.254 8.266 1.223 1.00 0.00 H new ATOM 0 HE3 MET A 19 -6.564 7.095 0.075 1.00 0.00 H new ATOM 44 N VAL A 20 -5.244 3.180 1.826 1.00 0.00 N ATOM 45 CA VAL A 20 -4.175 2.605 1.027 1.00 0.00 C ATOM 46 C VAL A 20 -4.576 2.345 -0.423 1.00 0.00 C ATOM 47 O VAL A 20 -5.697 1.944 -0.699 1.00 0.00 O ATOM 48 CB VAL A 20 -3.752 1.269 1.679 1.00 0.00 C ATOM 49 CG1 VAL A 20 -4.937 0.315 1.734 1.00 0.00 C ATOM 50 CG2 VAL A 20 -2.586 0.619 0.956 1.00 0.00 C ATOM 0 H VAL A 20 -6.154 2.733 1.712 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.358 3.326 1.002 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.418 1.493 2.692 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -4.628 -0.623 2.195 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.737 0.763 2.323 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.295 0.121 0.723 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.326 -0.316 1.452 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.866 0.416 -0.078 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.727 1.290 0.974 1.00 0.00 H new ATOM 60 N GLU A 21 -3.631 2.483 -1.344 1.00 0.00 N ATOM 61 CA GLU A 21 -3.890 2.125 -2.736 1.00 0.00 C ATOM 62 C GLU A 21 -3.258 0.760 -2.873 1.00 0.00 C ATOM 63 O GLU A 21 -2.072 0.611 -2.573 1.00 0.00 O ATOM 64 CB GLU A 21 -3.250 3.109 -3.722 1.00 0.00 C ATOM 65 CG GLU A 21 -4.258 3.810 -4.619 1.00 0.00 C ATOM 66 CD GLU A 21 -3.640 4.939 -5.423 1.00 0.00 C ATOM 67 OE1 GLU A 21 -2.718 5.602 -4.903 1.00 0.00 O ATOM 68 OE2 GLU A 21 -4.079 5.159 -6.571 1.00 0.00 O ATOM 0 H GLU A 21 -2.692 2.835 -1.159 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.955 2.143 -2.966 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.690 3.859 -3.163 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.533 2.573 -4.344 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.699 3.083 -5.301 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.069 4.206 -4.008 1.00 0.00 H new ATOM 75 N VAL A 22 -4.018 -0.259 -3.245 1.00 0.00 N ATOM 76 CA VAL A 22 -3.420 -1.588 -3.261 1.00 0.00 C ATOM 77 C VAL A 22 -3.671 -2.432 -4.490 1.00 0.00 C ATOM 78 O VAL A 22 -4.759 -2.441 -5.060 1.00 0.00 O ATOM 79 CB VAL A 22 -3.928 -2.377 -2.052 1.00 0.00 C ATOM 80 CG1 VAL A 22 -3.259 -3.742 -1.965 1.00 0.00 C ATOM 81 CG2 VAL A 22 -3.698 -1.578 -0.780 1.00 0.00 C ATOM 0 H VAL A 22 -4.997 -0.203 -3.526 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.347 -1.397 -3.247 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.998 -2.545 -2.173 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.640 -4.279 -1.096 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.476 -4.312 -2.868 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.181 -3.613 -1.868 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.062 -2.145 0.077 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.632 -1.383 -0.660 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.235 -0.631 -0.843 1.00 0.00 H new ATOM 91 N VAL A 23 -2.657 -3.234 -4.802 1.00 0.00 N ATOM 92 CA VAL A 23 -2.749 -4.210 -5.859 1.00 0.00 C ATOM 93 C VAL A 23 -2.401 -5.571 -5.250 1.00 0.00 C ATOM 94 O VAL A 23 -1.294 -5.792 -4.748 1.00 0.00 O ATOM 95 CB VAL A 23 -1.783 -3.897 -7.019 1.00 0.00 C ATOM 96 CG1 VAL A 23 -1.946 -4.915 -8.138 1.00 0.00 C ATOM 97 CG2 VAL A 23 -2.010 -2.485 -7.536 1.00 0.00 C ATOM 0 H VAL A 23 -1.755 -3.218 -4.325 1.00 0.00 H new ATOM 0 HA VAL A 23 -3.757 -4.200 -6.275 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.761 -3.962 -6.645 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.256 -4.678 -8.948 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.729 -5.913 -7.757 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.969 -4.884 -8.512 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.319 -2.282 -8.354 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.035 -2.389 -7.894 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.839 -1.771 -6.731 1.00 0.00 H new ATOM 107 N GLU A 24 -3.359 -6.473 -5.303 1.00 0.00 N ATOM 108 CA GLU A 24 -3.210 -7.816 -4.753 1.00 0.00 C ATOM 109 C GLU A 24 -3.991 -8.842 -5.566 1.00 0.00 C ATOM 110 O GLU A 24 -4.692 -8.497 -6.526 1.00 0.00 O ATOM 111 CB GLU A 24 -3.678 -7.844 -3.297 1.00 0.00 C ATOM 112 CG GLU A 24 -2.735 -7.137 -2.337 1.00 0.00 C ATOM 113 CD GLU A 24 -2.360 -7.996 -1.144 1.00 0.00 C ATOM 114 OE1 GLU A 24 -3.088 -8.971 -0.862 1.00 0.00 O ATOM 115 OE2 GLU A 24 -1.339 -7.693 -0.493 1.00 0.00 O ATOM 0 H GLU A 24 -4.269 -6.300 -5.730 1.00 0.00 H new ATOM 0 HA GLU A 24 -2.153 -8.079 -4.801 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.662 -7.380 -3.232 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.793 -8.881 -2.982 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.829 -6.849 -2.871 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.204 -6.218 -1.985 1.00 0.00 H new ATOM 122 N SER A 25 -3.866 -10.106 -5.175 1.00 0.00 N ATOM 123 CA SER A 25 -4.563 -11.200 -5.847 1.00 0.00 C ATOM 124 C SER A 25 -3.904 -11.552 -7.179 1.00 0.00 C ATOM 125 O SER A 25 -4.024 -10.813 -8.153 1.00 0.00 O ATOM 126 CB SER A 25 -6.037 -10.837 -6.077 1.00 0.00 C ATOM 127 OG SER A 25 -6.520 -9.973 -5.058 1.00 0.00 O ATOM 0 H SER A 25 -3.284 -10.401 -4.391 1.00 0.00 H new ATOM 0 HA SER A 25 -4.504 -12.073 -5.197 1.00 0.00 H new ATOM 0 HB2 SER A 25 -6.148 -10.355 -7.048 1.00 0.00 H new ATOM 0 HB3 SER A 25 -6.638 -11.746 -6.102 1.00 0.00 H new ATOM 0 HG SER A 25 -7.355 -10.333 -4.692 1.00 0.00 H new ATOM 133 N PRO A 26 -3.208 -12.704 -7.248 1.00 0.00 N ATOM 134 CA PRO A 26 -2.553 -13.153 -8.480 1.00 0.00 C ATOM 135 C PRO A 26 -3.570 -13.460 -9.577 1.00 0.00 C ATOM 136 O PRO A 26 -3.211 -13.629 -10.744 1.00 0.00 O ATOM 137 CB PRO A 26 -1.813 -14.433 -8.064 1.00 0.00 C ATOM 138 CG PRO A 26 -1.788 -14.410 -6.571 1.00 0.00 C ATOM 139 CD PRO A 26 -3.020 -13.663 -6.150 1.00 0.00 C ATOM 0 HA PRO A 26 -1.892 -12.390 -8.892 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -2.325 -15.321 -8.435 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -0.803 -14.453 -8.473 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.787 -15.421 -6.165 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -0.888 -13.918 -6.203 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -3.878 -14.326 -6.040 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -2.881 -13.160 -5.193 1.00 0.00 H new ATOM 147 N ASN A 27 -4.844 -13.533 -9.186 1.00 0.00 N ATOM 148 CA ASN A 27 -5.941 -13.818 -10.108 1.00 0.00 C ATOM 149 C ASN A 27 -5.759 -13.103 -11.444 1.00 0.00 C ATOM 150 O ASN A 27 -5.024 -12.119 -11.540 1.00 0.00 O ATOM 151 CB ASN A 27 -7.265 -13.392 -9.474 1.00 0.00 C ATOM 152 CG ASN A 27 -7.939 -14.524 -8.723 1.00 0.00 C ATOM 153 OD1 ASN A 27 -7.345 -15.579 -8.503 1.00 0.00 O ATOM 154 ND2 ASN A 27 -9.187 -14.308 -8.323 1.00 0.00 N ATOM 0 H ASN A 27 -5.142 -13.396 -8.220 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.945 -14.891 -10.302 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -7.087 -12.562 -8.790 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -7.935 -13.026 -10.252 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -9.691 -15.032 -7.812 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -9.641 -13.418 -8.527 1.00 0.00 H new ATOM 161 N HIS A 28 -6.444 -13.599 -12.472 1.00 0.00 N ATOM 162 CA HIS A 28 -6.368 -13.003 -13.800 1.00 0.00 C ATOM 163 C HIS A 28 -6.820 -11.548 -13.755 1.00 0.00 C ATOM 164 O HIS A 28 -6.133 -10.657 -14.255 1.00 0.00 O ATOM 165 CB HIS A 28 -7.237 -13.789 -14.786 1.00 0.00 C ATOM 166 CG HIS A 28 -6.632 -15.091 -15.210 1.00 0.00 C ATOM 167 ND1 HIS A 28 -7.379 -16.220 -15.469 1.00 0.00 N ATOM 168 CD2 HIS A 28 -5.340 -15.441 -15.423 1.00 0.00 C ATOM 169 CE1 HIS A 28 -6.576 -17.208 -15.822 1.00 0.00 C ATOM 170 NE2 HIS A 28 -5.334 -16.762 -15.802 1.00 0.00 N ATOM 0 H HIS A 28 -7.057 -14.412 -12.409 1.00 0.00 H new ATOM 0 HA HIS A 28 -5.332 -13.040 -14.136 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -8.208 -13.980 -14.329 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -7.415 -13.176 -15.669 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -4.477 -14.801 -15.315 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -6.884 -18.210 -16.083 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -4.504 -17.309 -16.031 1.00 0.00 H new ATOM 179 N SER A 29 -7.976 -11.316 -13.140 1.00 0.00 N ATOM 180 CA SER A 29 -8.519 -9.970 -13.013 1.00 0.00 C ATOM 181 C SER A 29 -8.006 -9.305 -11.739 1.00 0.00 C ATOM 182 O SER A 29 -7.898 -8.083 -11.668 1.00 0.00 O ATOM 183 CB SER A 29 -10.049 -10.012 -13.001 1.00 0.00 C ATOM 184 OG SER A 29 -10.595 -8.705 -13.014 1.00 0.00 O ATOM 0 H SER A 29 -8.554 -12.045 -12.722 1.00 0.00 H new ATOM 0 HA SER A 29 -8.189 -9.385 -13.871 1.00 0.00 H new ATOM 0 HB2 SER A 29 -10.407 -10.568 -13.867 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.394 -10.545 -12.115 1.00 0.00 H new ATOM 0 HG SER A 29 -11.573 -8.759 -13.008 1.00 0.00 H new ATOM 190 N GLU A 30 -7.685 -10.128 -10.740 1.00 0.00 N ATOM 191 CA GLU A 30 -7.173 -9.642 -9.460 1.00 0.00 C ATOM 192 C GLU A 30 -7.984 -8.458 -8.938 1.00 0.00 C ATOM 193 O GLU A 30 -9.024 -8.108 -9.494 1.00 0.00 O ATOM 194 CB GLU A 30 -5.696 -9.251 -9.588 1.00 0.00 C ATOM 195 CG GLU A 30 -5.449 -8.010 -10.434 1.00 0.00 C ATOM 196 CD GLU A 30 -5.193 -8.339 -11.892 1.00 0.00 C ATOM 197 OE1 GLU A 30 -4.533 -9.364 -12.164 1.00 0.00 O ATOM 198 OE2 GLU A 30 -5.654 -7.570 -12.763 1.00 0.00 O ATOM 0 H GLU A 30 -7.772 -11.143 -10.795 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.269 -10.455 -8.741 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.288 -9.084 -8.591 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.147 -10.087 -10.021 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -6.312 -7.348 -10.361 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.594 -7.466 -10.033 1.00 0.00 H new ATOM 205 N VAL A 31 -7.492 -7.842 -7.868 1.00 0.00 N ATOM 206 CA VAL A 31 -8.160 -6.693 -7.275 1.00 0.00 C ATOM 207 C VAL A 31 -7.159 -5.613 -6.926 1.00 0.00 C ATOM 208 O VAL A 31 -6.426 -5.709 -5.922 1.00 0.00 O ATOM 209 CB VAL A 31 -8.955 -7.075 -6.020 1.00 0.00 C ATOM 210 CG1 VAL A 31 -8.041 -7.547 -4.902 1.00 0.00 C ATOM 211 CG2 VAL A 31 -9.807 -5.913 -5.556 1.00 0.00 C ATOM 0 H VAL A 31 -6.632 -8.121 -7.395 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.860 -6.315 -8.020 1.00 0.00 H new ATOM 0 HB VAL A 31 -9.610 -7.905 -6.284 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -8.639 -7.809 -4.029 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.481 -8.421 -5.234 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -7.346 -6.750 -4.639 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -10.364 -6.203 -4.665 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -9.166 -5.062 -5.323 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -10.505 -5.636 -6.346 1.00 0.00 H new ATOM 221 N GLY A 32 -7.210 -4.532 -7.669 1.00 0.00 N ATOM 222 CA GLY A 32 -6.372 -3.410 -7.382 1.00 0.00 C ATOM 223 C GLY A 32 -7.230 -2.188 -7.434 1.00 0.00 C ATOM 224 O GLY A 32 -7.720 -1.794 -8.473 1.00 0.00 O ATOM 0 H GLY A 32 -7.825 -4.414 -8.474 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.913 -3.515 -6.399 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.561 -3.341 -8.107 1.00 0.00 H new ATOM 228 N ILE A 33 -7.373 -1.536 -6.332 1.00 0.00 N ATOM 229 CA ILE A 33 -8.177 -0.363 -6.316 1.00 0.00 C ATOM 230 C ILE A 33 -7.859 0.502 -5.135 1.00 0.00 C ATOM 231 O ILE A 33 -6.969 0.201 -4.326 1.00 0.00 O ATOM 232 CB ILE A 33 -9.681 -0.746 -6.423 1.00 0.00 C ATOM 233 CG1 ILE A 33 -10.124 -0.488 -7.859 1.00 0.00 C ATOM 234 CG2 ILE A 33 -10.580 -0.039 -5.409 1.00 0.00 C ATOM 235 CD1 ILE A 33 -10.687 0.898 -8.111 1.00 0.00 C ATOM 0 H ILE A 33 -6.949 -1.791 -5.440 1.00 0.00 H new ATOM 0 HA ILE A 33 -7.944 0.246 -7.190 1.00 0.00 H new ATOM 0 HB ILE A 33 -9.787 -1.801 -6.171 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -9.272 -0.645 -8.521 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -10.879 -1.226 -8.130 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -11.612 -0.361 -5.551 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -10.257 -0.290 -4.399 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -10.513 1.039 -5.553 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -10.975 0.989 -9.158 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -11.561 1.056 -7.479 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -9.930 1.646 -7.877 1.00 0.00 H new ATOM 247 N LYS A 34 -8.581 1.581 -5.061 1.00 0.00 N ATOM 248 CA LYS A 34 -8.446 2.466 -3.934 1.00 0.00 C ATOM 249 C LYS A 34 -9.205 1.727 -2.840 1.00 0.00 C ATOM 250 O LYS A 34 -10.368 1.373 -3.024 1.00 0.00 O ATOM 251 CB LYS A 34 -9.067 3.837 -4.216 1.00 0.00 C ATOM 252 CG LYS A 34 -8.505 4.518 -5.455 1.00 0.00 C ATOM 253 CD LYS A 34 -9.532 4.584 -6.573 1.00 0.00 C ATOM 254 CE LYS A 34 -10.565 5.669 -6.318 1.00 0.00 C ATOM 255 NZ LYS A 34 -10.250 6.924 -7.056 1.00 0.00 N ATOM 0 H LYS A 34 -9.265 1.871 -5.760 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.409 2.679 -3.675 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.145 3.721 -4.333 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.907 4.483 -3.353 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.179 5.526 -5.200 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.625 3.976 -5.801 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.028 4.776 -7.520 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -10.031 3.620 -6.667 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.550 5.310 -6.617 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.614 5.879 -5.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -10.979 7.638 -6.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.322 7.282 -6.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.229 6.730 -8.078 1.00 0.00 H new ATOM 269 N GLY A 35 -8.537 1.416 -1.753 1.00 0.00 N ATOM 270 CA GLY A 35 -9.166 0.622 -0.723 1.00 0.00 C ATOM 271 C GLY A 35 -8.772 0.989 0.680 1.00 0.00 C ATOM 272 O GLY A 35 -7.944 1.876 0.909 1.00 0.00 O ATOM 0 H GLY A 35 -7.575 1.695 -1.560 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.248 0.717 -0.819 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.922 -0.427 -0.892 1.00 0.00 H new ATOM 276 N GLU A 36 -9.384 0.292 1.625 1.00 0.00 N ATOM 277 CA GLU A 36 -9.117 0.530 3.041 1.00 0.00 C ATOM 278 C GLU A 36 -8.341 -0.624 3.663 1.00 0.00 C ATOM 279 O GLU A 36 -8.532 -1.791 3.285 1.00 0.00 O ATOM 280 CB GLU A 36 -10.431 0.739 3.799 1.00 0.00 C ATOM 281 CG GLU A 36 -11.327 1.800 3.182 1.00 0.00 C ATOM 282 CD GLU A 36 -10.698 3.180 3.201 1.00 0.00 C ATOM 283 OE1 GLU A 36 -9.760 3.393 3.998 1.00 0.00 O ATOM 284 OE2 GLU A 36 -11.143 4.046 2.420 1.00 0.00 O ATOM 0 H GLU A 36 -10.068 -0.442 1.441 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.507 1.430 3.117 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -10.973 -0.206 3.836 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -10.206 1.019 4.828 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.555 1.523 2.153 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -12.274 1.829 3.722 1.00 0.00 H new ATOM 291 N VAL A 37 -7.471 -0.297 4.632 1.00 0.00 N ATOM 292 CA VAL A 37 -6.681 -1.321 5.319 1.00 0.00 C ATOM 293 C VAL A 37 -6.879 -1.271 6.823 1.00 0.00 C ATOM 294 O VAL A 37 -6.687 -0.237 7.460 1.00 0.00 O ATOM 295 CB VAL A 37 -5.171 -1.228 5.022 1.00 0.00 C ATOM 296 CG1 VAL A 37 -4.843 -1.900 3.700 1.00 0.00 C ATOM 297 CG2 VAL A 37 -4.689 0.215 5.036 1.00 0.00 C ATOM 0 H VAL A 37 -7.301 0.657 4.951 1.00 0.00 H new ATOM 0 HA VAL A 37 -7.051 -2.268 4.926 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.641 -1.756 5.815 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.773 -1.823 3.509 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.129 -2.951 3.745 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.391 -1.409 2.896 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.620 0.244 4.823 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.226 0.785 4.278 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.875 0.651 6.017 1.00 0.00 H new ATOM 307 N VAL A 38 -7.249 -2.415 7.380 1.00 0.00 N ATOM 308 CA VAL A 38 -7.468 -2.538 8.812 1.00 0.00 C ATOM 309 C VAL A 38 -6.679 -3.716 9.378 1.00 0.00 C ATOM 310 O VAL A 38 -6.651 -4.800 8.785 1.00 0.00 O ATOM 311 CB VAL A 38 -8.962 -2.732 9.140 1.00 0.00 C ATOM 312 CG1 VAL A 38 -9.190 -2.687 10.644 1.00 0.00 C ATOM 313 CG2 VAL A 38 -9.807 -1.683 8.432 1.00 0.00 C ATOM 0 H VAL A 38 -7.405 -3.277 6.857 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.124 -1.611 9.270 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.269 -3.714 8.779 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -10.250 -2.826 10.856 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.617 -3.481 11.123 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.866 -1.722 11.032 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.858 -1.837 8.676 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -9.501 -0.689 8.757 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -9.668 -1.771 7.354 1.00 0.00 H new ATOM 323 N ASP A 39 -6.030 -3.501 10.511 1.00 0.00 N ATOM 324 CA ASP A 39 -5.244 -4.547 11.151 1.00 0.00 C ATOM 325 C ASP A 39 -6.133 -5.417 12.033 1.00 0.00 C ATOM 326 O ASP A 39 -6.670 -4.952 13.038 1.00 0.00 O ATOM 327 CB ASP A 39 -4.117 -3.933 11.983 1.00 0.00 C ATOM 328 CG ASP A 39 -2.885 -3.626 11.153 1.00 0.00 C ATOM 329 OD1 ASP A 39 -2.249 -4.581 10.660 1.00 0.00 O ATOM 330 OD2 ASP A 39 -2.559 -2.431 10.996 1.00 0.00 O ATOM 0 H ASP A 39 -6.031 -2.610 11.008 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.805 -5.172 10.373 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.474 -3.016 12.452 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.848 -4.618 12.787 1.00 0.00 H new ATOM 335 N GLU A 40 -6.294 -6.680 11.645 1.00 0.00 N ATOM 336 CA GLU A 40 -7.129 -7.619 12.396 1.00 0.00 C ATOM 337 C GLU A 40 -6.844 -7.542 13.894 1.00 0.00 C ATOM 338 O GLU A 40 -7.767 -7.492 14.710 1.00 0.00 O ATOM 339 CB GLU A 40 -6.901 -9.046 11.895 1.00 0.00 C ATOM 340 CG GLU A 40 -8.173 -9.873 11.813 1.00 0.00 C ATOM 341 CD GLU A 40 -9.110 -9.391 10.723 1.00 0.00 C ATOM 342 OE1 GLU A 40 -8.992 -8.218 10.313 1.00 0.00 O ATOM 343 OE2 GLU A 40 -9.963 -10.189 10.278 1.00 0.00 O ATOM 0 H GLU A 40 -5.857 -7.079 10.814 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.171 -7.342 12.234 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.439 -9.006 10.908 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.195 -9.546 12.558 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.913 -10.916 11.630 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.688 -9.837 12.773 1.00 0.00 H new ATOM 350 N THR A 41 -5.566 -7.532 14.250 1.00 0.00 N ATOM 351 CA THR A 41 -5.160 -7.461 15.648 1.00 0.00 C ATOM 352 C THR A 41 -3.702 -7.027 15.766 1.00 0.00 C ATOM 353 O THR A 41 -2.907 -7.663 16.457 1.00 0.00 O ATOM 354 CB THR A 41 -5.361 -8.815 16.329 1.00 0.00 C ATOM 355 OG1 THR A 41 -6.662 -9.316 16.076 1.00 0.00 O ATOM 356 CG2 THR A 41 -5.171 -8.765 17.829 1.00 0.00 C ATOM 0 H THR A 41 -4.791 -7.572 13.588 1.00 0.00 H new ATOM 0 HA THR A 41 -5.783 -6.719 16.147 1.00 0.00 H new ATOM 0 HB THR A 41 -4.598 -9.467 15.905 1.00 0.00 H new ATOM 0 HG1 THR A 41 -7.269 -8.570 15.888 1.00 0.00 H new ATOM 0 HG21 THR A 41 -5.328 -9.759 18.249 1.00 0.00 H new ATOM 0 HG22 THR A 41 -4.159 -8.431 18.057 1.00 0.00 H new ATOM 0 HG23 THR A 41 -5.889 -8.070 18.264 1.00 0.00 H new ATOM 364 N GLN A 42 -3.357 -5.942 15.079 1.00 0.00 N ATOM 365 CA GLN A 42 -1.993 -5.427 15.101 1.00 0.00 C ATOM 366 C GLN A 42 -1.010 -6.488 14.618 1.00 0.00 C ATOM 367 O GLN A 42 -0.086 -6.868 15.338 1.00 0.00 O ATOM 368 CB GLN A 42 -1.622 -4.970 16.514 1.00 0.00 C ATOM 369 CG GLN A 42 -2.181 -3.603 16.876 1.00 0.00 C ATOM 370 CD GLN A 42 -2.438 -3.455 18.364 1.00 0.00 C ATOM 371 OE1 GLN A 42 -1.574 -3.749 19.188 1.00 0.00 O ATOM 372 NE2 GLN A 42 -3.635 -2.997 18.714 1.00 0.00 N ATOM 0 H GLN A 42 -4.002 -5.404 14.501 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.938 -4.572 14.427 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -1.986 -5.705 17.232 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -0.536 -4.946 16.606 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -1.482 -2.831 16.553 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -3.111 -3.439 16.332 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -4.322 -2.765 17.997 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -3.867 -2.877 19.700 1.00 0.00 H new ATOM 381 N ASN A 43 -1.217 -6.963 13.394 1.00 0.00 N ATOM 382 CA ASN A 43 -0.347 -7.986 12.817 1.00 0.00 C ATOM 383 C ASN A 43 -0.741 -8.275 11.373 1.00 0.00 C ATOM 384 O ASN A 43 -0.061 -7.853 10.438 1.00 0.00 O ATOM 385 CB ASN A 43 -0.415 -9.269 13.647 1.00 0.00 C ATOM 386 CG ASN A 43 0.807 -9.451 14.526 1.00 0.00 C ATOM 387 OD1 ASN A 43 0.693 -9.680 15.730 1.00 0.00 O ATOM 388 ND2 ASN A 43 1.988 -9.348 13.927 1.00 0.00 N ATOM 0 H ASN A 43 -1.975 -6.659 12.784 1.00 0.00 H new ATOM 0 HA ASN A 43 0.677 -7.612 12.828 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.309 -9.249 14.271 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -0.511 -10.126 12.980 1.00 0.00 H new ATOM 0 HD21 ASN A 43 2.846 -9.460 14.468 1.00 0.00 H new ATOM 0 HD22 ASN A 43 2.037 -9.157 12.926 1.00 0.00 H new ATOM 395 N THR A 44 -1.849 -8.988 11.197 1.00 0.00 N ATOM 396 CA THR A 44 -2.338 -9.317 9.865 1.00 0.00 C ATOM 397 C THR A 44 -3.036 -8.104 9.270 1.00 0.00 C ATOM 398 O THR A 44 -3.746 -7.385 9.974 1.00 0.00 O ATOM 399 CB THR A 44 -3.297 -10.507 9.923 1.00 0.00 C ATOM 400 OG1 THR A 44 -3.945 -10.688 8.676 1.00 0.00 O ATOM 401 CG2 THR A 44 -4.370 -10.359 10.980 1.00 0.00 C ATOM 0 H THR A 44 -2.423 -9.348 11.959 1.00 0.00 H new ATOM 0 HA THR A 44 -1.494 -9.593 9.233 1.00 0.00 H new ATOM 0 HB THR A 44 -2.677 -11.367 10.175 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.553 -11.455 8.732 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.016 -11.237 10.968 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.904 -10.265 11.961 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.964 -9.469 10.773 1.00 0.00 H new ATOM 409 N LEU A 45 -2.828 -7.863 7.981 1.00 0.00 N ATOM 410 CA LEU A 45 -3.441 -6.713 7.332 1.00 0.00 C ATOM 411 C LEU A 45 -4.441 -7.132 6.267 1.00 0.00 C ATOM 412 O LEU A 45 -4.108 -7.866 5.333 1.00 0.00 O ATOM 413 CB LEU A 45 -2.360 -5.824 6.711 1.00 0.00 C ATOM 414 CG LEU A 45 -2.067 -4.532 7.477 1.00 0.00 C ATOM 415 CD1 LEU A 45 -0.632 -4.085 7.244 1.00 0.00 C ATOM 416 CD2 LEU A 45 -3.044 -3.438 7.073 1.00 0.00 C ATOM 0 H LEU A 45 -2.248 -8.440 7.372 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.982 -6.153 8.095 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.438 -6.400 6.633 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.662 -5.566 5.696 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.194 -4.727 8.542 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.443 -3.165 7.797 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.051 -4.862 7.588 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.474 -3.908 6.180 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.820 -2.527 7.628 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.951 -3.244 6.004 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.062 -3.758 7.297 1.00 0.00 H new ATOM 427 N LYS A 46 -5.665 -6.638 6.399 1.00 0.00 N ATOM 428 CA LYS A 46 -6.714 -6.929 5.437 1.00 0.00 C ATOM 429 C LYS A 46 -6.966 -5.695 4.584 1.00 0.00 C ATOM 430 O LYS A 46 -7.228 -4.607 5.110 1.00 0.00 O ATOM 431 CB LYS A 46 -8.000 -7.356 6.150 1.00 0.00 C ATOM 432 CG LYS A 46 -8.536 -6.311 7.118 1.00 0.00 C ATOM 433 CD LYS A 46 -9.967 -5.915 6.780 1.00 0.00 C ATOM 434 CE LYS A 46 -10.847 -5.894 8.020 1.00 0.00 C ATOM 435 NZ LYS A 46 -12.082 -5.089 7.811 1.00 0.00 N ATOM 0 H LYS A 46 -5.954 -6.032 7.167 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.395 -7.753 4.799 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.764 -7.574 5.404 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.813 -8.282 6.694 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.497 -6.702 8.135 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -7.898 -5.428 7.091 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.972 -4.931 6.312 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.378 -6.616 6.053 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -11.120 -6.914 8.289 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.284 -5.484 8.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.654 -5.100 8.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.822 -4.109 7.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -12.633 -5.495 7.028 1.00 0.00 H new ATOM 449 N ILE A 47 -6.863 -5.859 3.273 1.00 0.00 N ATOM 450 CA ILE A 47 -7.055 -4.754 2.348 1.00 0.00 C ATOM 451 C ILE A 47 -8.158 -5.053 1.350 1.00 0.00 C ATOM 452 O ILE A 47 -8.162 -6.112 0.721 1.00 0.00 O ATOM 453 CB ILE A 47 -5.755 -4.463 1.572 1.00 0.00 C ATOM 454 CG1 ILE A 47 -6.029 -3.563 0.364 1.00 0.00 C ATOM 455 CG2 ILE A 47 -5.104 -5.764 1.121 1.00 0.00 C ATOM 456 CD1 ILE A 47 -6.779 -2.294 0.704 1.00 0.00 C ATOM 0 H ILE A 47 -6.647 -6.750 2.826 1.00 0.00 H new ATOM 0 HA ILE A 47 -7.336 -3.884 2.942 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.071 -3.940 2.241 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.080 -3.299 -0.103 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -6.601 -4.125 -0.374 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.187 -5.542 0.575 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.868 -6.374 1.993 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.790 -6.308 0.472 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -6.935 -1.710 -0.203 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -7.744 -2.548 1.143 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -6.199 -1.709 1.418 1.00 0.00 H new ATOM 468 N MET A 48 -9.085 -4.124 1.189 1.00 0.00 N ATOM 469 CA MET A 48 -10.175 -4.314 0.235 1.00 0.00 C ATOM 470 C MET A 48 -10.190 -3.164 -0.769 1.00 0.00 C ATOM 471 O MET A 48 -10.244 -1.992 -0.353 1.00 0.00 O ATOM 472 CB MET A 48 -11.515 -4.382 0.970 1.00 0.00 C ATOM 473 CG MET A 48 -11.881 -3.096 1.696 1.00 0.00 C ATOM 474 SD MET A 48 -13.328 -2.281 0.990 1.00 0.00 S ATOM 475 CE MET A 48 -14.591 -2.760 2.166 1.00 0.00 C ATOM 0 H MET A 48 -9.110 -3.240 1.697 1.00 0.00 H new ATOM 0 HA MET A 48 -10.019 -5.252 -0.297 1.00 0.00 H new ATOM 0 HB2 MET A 48 -12.301 -4.620 0.253 1.00 0.00 H new ATOM 0 HB3 MET A 48 -11.483 -5.199 1.691 1.00 0.00 H new ATOM 0 HG2 MET A 48 -12.071 -3.319 2.746 1.00 0.00 H new ATOM 0 HG3 MET A 48 -11.033 -2.412 1.664 1.00 0.00 H new ATOM 0 HE1 MET A 48 -15.548 -2.332 1.867 1.00 0.00 H new ATOM 0 HE2 MET A 48 -14.671 -3.847 2.191 1.00 0.00 H new ATOM 0 HE3 MET A 48 -14.324 -2.393 3.157 1.00 0.00 H new ATOM 485 N THR A 49 -10.131 -3.471 -2.088 1.00 0.00 N ATOM 486 CA THR A 49 -10.132 -2.411 -3.078 1.00 0.00 C ATOM 487 C THR A 49 -11.457 -2.372 -3.853 1.00 0.00 C ATOM 488 O THR A 49 -12.384 -1.667 -3.452 1.00 0.00 O ATOM 489 CB THR A 49 -8.923 -2.560 -4.007 1.00 0.00 C ATOM 490 OG1 THR A 49 -9.194 -3.433 -5.081 1.00 0.00 O ATOM 491 CG2 THR A 49 -7.685 -3.077 -3.303 1.00 0.00 C ATOM 0 H THR A 49 -10.084 -4.418 -2.465 1.00 0.00 H new ATOM 0 HA THR A 49 -10.045 -1.453 -2.566 1.00 0.00 H new ATOM 0 HB THR A 49 -8.731 -1.550 -4.369 1.00 0.00 H new ATOM 0 HG1 THR A 49 -8.351 -3.730 -5.482 1.00 0.00 H new ATOM 0 HG21 THR A 49 -6.867 -3.159 -4.019 1.00 0.00 H new ATOM 0 HG22 THR A 49 -7.404 -2.387 -2.508 1.00 0.00 H new ATOM 0 HG23 THR A 49 -7.892 -4.058 -2.876 1.00 0.00 H new ATOM 499 N GLU A 50 -11.555 -3.113 -4.956 1.00 0.00 N ATOM 500 CA GLU A 50 -12.784 -3.125 -5.752 1.00 0.00 C ATOM 501 C GLU A 50 -13.241 -4.546 -6.057 1.00 0.00 C ATOM 502 O GLU A 50 -14.344 -4.944 -5.683 1.00 0.00 O ATOM 503 CB GLU A 50 -12.589 -2.363 -7.061 1.00 0.00 C ATOM 504 CG GLU A 50 -13.835 -2.313 -7.930 1.00 0.00 C ATOM 505 CD GLU A 50 -13.599 -1.598 -9.246 1.00 0.00 C ATOM 506 OE1 GLU A 50 -13.302 -0.384 -9.218 1.00 0.00 O ATOM 507 OE2 GLU A 50 -13.708 -2.252 -10.305 1.00 0.00 O ATOM 0 H GLU A 50 -10.808 -3.707 -5.317 1.00 0.00 H new ATOM 0 HA GLU A 50 -13.555 -2.633 -5.158 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -12.273 -1.345 -6.835 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -11.781 -2.829 -7.626 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -14.176 -3.329 -8.129 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -14.634 -1.810 -7.385 1.00 0.00 H new ATOM 514 N LYS A 51 -12.391 -5.313 -6.739 1.00 0.00 N ATOM 515 CA LYS A 51 -12.729 -6.689 -7.086 1.00 0.00 C ATOM 516 C LYS A 51 -13.008 -7.528 -5.836 1.00 0.00 C ATOM 517 O LYS A 51 -13.451 -8.672 -5.938 1.00 0.00 O ATOM 518 CB LYS A 51 -11.599 -7.320 -7.902 1.00 0.00 C ATOM 519 CG LYS A 51 -11.862 -7.326 -9.399 1.00 0.00 C ATOM 520 CD LYS A 51 -11.067 -6.243 -10.111 1.00 0.00 C ATOM 521 CE LYS A 51 -11.752 -4.890 -10.010 1.00 0.00 C ATOM 522 NZ LYS A 51 -10.787 -3.763 -10.161 1.00 0.00 N ATOM 0 H LYS A 51 -11.472 -5.007 -7.059 1.00 0.00 H new ATOM 0 HA LYS A 51 -13.638 -6.669 -7.687 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -10.674 -6.778 -7.706 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -11.446 -8.345 -7.564 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -11.600 -8.301 -9.811 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -12.926 -7.177 -9.583 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.069 -6.179 -9.678 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.943 -6.512 -11.160 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.521 -4.815 -10.779 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.256 -4.810 -9.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -11.295 -2.859 -10.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -10.068 -3.819 -9.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.325 -3.824 -11.091 1.00 0.00 H new ATOM 536 N GLY A 52 -12.748 -6.958 -4.658 1.00 0.00 N ATOM 537 CA GLY A 52 -12.979 -7.674 -3.425 1.00 0.00 C ATOM 538 C GLY A 52 -11.950 -7.346 -2.361 1.00 0.00 C ATOM 539 O GLY A 52 -11.192 -6.377 -2.484 1.00 0.00 O ATOM 0 H GLY A 52 -12.382 -6.013 -4.543 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -13.974 -7.434 -3.050 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -12.963 -8.746 -3.623 1.00 0.00 H new ATOM 543 N LEU A 53 -11.928 -8.163 -1.313 1.00 0.00 N ATOM 544 CA LEU A 53 -10.995 -7.975 -0.215 1.00 0.00 C ATOM 545 C LEU A 53 -10.225 -9.258 0.077 1.00 0.00 C ATOM 546 O LEU A 53 -10.795 -10.350 0.094 1.00 0.00 O ATOM 547 CB LEU A 53 -11.739 -7.515 1.042 1.00 0.00 C ATOM 548 CG LEU A 53 -12.447 -8.625 1.821 1.00 0.00 C ATOM 549 CD1 LEU A 53 -12.999 -8.087 3.133 1.00 0.00 C ATOM 550 CD2 LEU A 53 -13.559 -9.237 0.982 1.00 0.00 C ATOM 0 H LEU A 53 -12.550 -8.964 -1.204 1.00 0.00 H new ATOM 0 HA LEU A 53 -10.281 -7.206 -0.509 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.028 -7.023 1.706 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -12.477 -6.767 0.755 1.00 0.00 H new ATOM 0 HG LEU A 53 -11.720 -9.405 2.050 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -13.499 -8.890 3.674 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -12.181 -7.696 3.739 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -13.712 -7.289 2.928 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -14.052 -10.025 1.551 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -14.286 -8.467 0.723 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -13.137 -9.658 0.070 1.00 0.00 H new ATOM 562 N LYS A 54 -8.934 -9.111 0.324 1.00 0.00 N ATOM 563 CA LYS A 54 -8.076 -10.236 0.639 1.00 0.00 C ATOM 564 C LYS A 54 -7.224 -9.927 1.866 1.00 0.00 C ATOM 565 O LYS A 54 -6.873 -8.769 2.115 1.00 0.00 O ATOM 566 CB LYS A 54 -7.182 -10.577 -0.557 1.00 0.00 C ATOM 567 CG LYS A 54 -7.716 -11.717 -1.409 1.00 0.00 C ATOM 568 CD LYS A 54 -7.642 -13.046 -0.673 1.00 0.00 C ATOM 569 CE LYS A 54 -6.268 -13.682 -0.804 1.00 0.00 C ATOM 570 NZ LYS A 54 -6.158 -14.520 -2.031 1.00 0.00 N ATOM 0 H LYS A 54 -8.455 -8.211 0.311 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.704 -11.099 0.860 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.069 -9.690 -1.181 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.188 -10.840 -0.194 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -8.750 -11.511 -1.687 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -7.143 -11.780 -2.334 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.873 -12.892 0.381 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.397 -13.725 -1.069 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.508 -12.901 -0.828 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.067 -14.296 0.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.206 -14.936 -2.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.867 -15.281 -1.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.324 -13.929 -2.871 1.00 0.00 H new ATOM 584 N VAL A 55 -6.895 -10.959 2.636 1.00 0.00 N ATOM 585 CA VAL A 55 -6.085 -10.784 3.835 1.00 0.00 C ATOM 586 C VAL A 55 -4.715 -11.428 3.671 1.00 0.00 C ATOM 587 O VAL A 55 -4.605 -12.604 3.326 1.00 0.00 O ATOM 588 CB VAL A 55 -6.766 -11.377 5.079 1.00 0.00 C ATOM 589 CG1 VAL A 55 -8.046 -10.621 5.403 1.00 0.00 C ATOM 590 CG2 VAL A 55 -7.048 -12.859 4.881 1.00 0.00 C ATOM 0 H VAL A 55 -7.176 -11.922 2.452 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.970 -9.709 3.975 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.087 -11.271 5.925 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.512 -11.057 6.287 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.811 -9.574 5.595 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.733 -10.690 4.559 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.530 -13.260 5.773 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.705 -12.993 4.022 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.111 -13.388 4.707 1.00 0.00 H new ATOM 600 N VAL A 56 -3.675 -10.646 3.923 1.00 0.00 N ATOM 601 CA VAL A 56 -2.308 -11.129 3.802 1.00 0.00 C ATOM 602 C VAL A 56 -1.403 -10.527 4.875 1.00 0.00 C ATOM 603 O VAL A 56 -1.821 -9.670 5.658 1.00 0.00 O ATOM 604 CB VAL A 56 -1.718 -10.806 2.417 1.00 0.00 C ATOM 605 CG1 VAL A 56 -2.231 -11.788 1.375 1.00 0.00 C ATOM 606 CG2 VAL A 56 -2.042 -9.374 2.016 1.00 0.00 C ATOM 0 H VAL A 56 -3.753 -9.671 4.213 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.350 -12.210 3.934 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.634 -10.905 2.474 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.803 -11.544 0.403 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.940 -12.801 1.655 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.318 -11.725 1.319 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.616 -9.166 1.034 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.123 -9.243 1.978 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.619 -8.686 2.748 1.00 0.00 H new ATOM 616 N ALA A 57 -0.158 -10.986 4.895 1.00 0.00 N ATOM 617 CA ALA A 57 0.829 -10.505 5.851 1.00 0.00 C ATOM 618 C ALA A 57 1.708 -9.437 5.211 1.00 0.00 C ATOM 619 O ALA A 57 1.576 -9.151 4.021 1.00 0.00 O ATOM 620 CB ALA A 57 1.680 -11.658 6.363 1.00 0.00 C ATOM 0 H ALA A 57 0.193 -11.697 4.254 1.00 0.00 H new ATOM 0 HA ALA A 57 0.305 -10.062 6.698 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.413 -11.281 7.077 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.041 -12.392 6.853 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.197 -12.128 5.526 1.00 0.00 H new ATOM 626 N LYS A 58 2.601 -8.847 6.004 1.00 0.00 N ATOM 627 CA LYS A 58 3.504 -7.803 5.514 1.00 0.00 C ATOM 628 C LYS A 58 4.015 -8.115 4.105 1.00 0.00 C ATOM 629 O LYS A 58 4.270 -7.208 3.313 1.00 0.00 O ATOM 630 CB LYS A 58 4.688 -7.635 6.469 1.00 0.00 C ATOM 631 CG LYS A 58 5.570 -8.869 6.570 1.00 0.00 C ATOM 632 CD LYS A 58 6.968 -8.516 7.056 1.00 0.00 C ATOM 633 CE LYS A 58 7.199 -8.986 8.483 1.00 0.00 C ATOM 634 NZ LYS A 58 7.013 -7.885 9.468 1.00 0.00 N ATOM 0 H LYS A 58 2.720 -9.074 6.991 1.00 0.00 H new ATOM 0 HA LYS A 58 2.938 -6.873 5.470 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.294 -6.792 6.138 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.311 -7.386 7.461 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.116 -9.587 7.253 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.634 -9.353 5.595 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.708 -8.971 6.398 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.112 -7.437 7.000 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.510 -9.799 8.713 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.208 -9.388 8.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.180 -8.247 10.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.687 -7.120 9.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.042 -7.518 9.400 1.00 0.00 H new ATOM 648 N ARG A 59 4.157 -9.402 3.799 1.00 0.00 N ATOM 649 CA ARG A 59 4.629 -9.829 2.487 1.00 0.00 C ATOM 650 C ARG A 59 3.469 -10.330 1.627 1.00 0.00 C ATOM 651 O ARG A 59 2.449 -10.782 2.148 1.00 0.00 O ATOM 652 CB ARG A 59 5.683 -10.928 2.634 1.00 0.00 C ATOM 653 CG ARG A 59 7.000 -10.433 3.209 1.00 0.00 C ATOM 654 CD ARG A 59 8.050 -10.240 2.125 1.00 0.00 C ATOM 655 NE ARG A 59 9.224 -11.081 2.344 1.00 0.00 N ATOM 656 CZ ARG A 59 10.192 -10.792 3.210 1.00 0.00 C ATOM 657 NH1 ARG A 59 10.130 -9.688 3.942 1.00 0.00 N ATOM 658 NH2 ARG A 59 11.226 -11.612 3.347 1.00 0.00 N ATOM 0 H ARG A 59 3.952 -10.166 4.442 1.00 0.00 H new ATOM 0 HA ARG A 59 5.079 -8.968 1.992 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.288 -11.715 3.276 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.868 -11.376 1.658 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.838 -9.490 3.731 1.00 0.00 H new ATOM 0 HG3 ARG A 59 7.366 -11.147 3.947 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.614 -10.472 1.153 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.354 -9.194 2.097 1.00 0.00 H new ATOM 0 HE ARG A 59 9.307 -11.941 1.801 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.337 -9.054 3.843 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.875 -9.472 4.604 1.00 0.00 H new ATOM 0 HH21 ARG A 59 11.279 -12.464 2.788 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.968 -11.391 4.011 1.00 0.00 H new ATOM 672 N GLY A 60 3.635 -10.247 0.310 1.00 0.00 N ATOM 673 CA GLY A 60 2.597 -10.695 -0.602 1.00 0.00 C ATOM 674 C GLY A 60 2.017 -9.558 -1.423 1.00 0.00 C ATOM 675 O GLY A 60 1.629 -8.526 -0.877 1.00 0.00 O ATOM 0 H GLY A 60 4.471 -9.877 -0.142 1.00 0.00 H new ATOM 0 HA2 GLY A 60 3.007 -11.451 -1.272 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.799 -11.173 -0.033 1.00 0.00 H new ATOM 679 N ARG A 61 1.961 -9.746 -2.740 1.00 0.00 N ATOM 680 CA ARG A 61 1.426 -8.723 -3.635 1.00 0.00 C ATOM 681 C ARG A 61 2.173 -7.407 -3.454 1.00 0.00 C ATOM 682 O ARG A 61 3.174 -7.349 -2.731 1.00 0.00 O ATOM 683 CB ARG A 61 -0.064 -8.521 -3.370 1.00 0.00 C ATOM 684 CG ARG A 61 -0.882 -9.796 -3.509 1.00 0.00 C ATOM 685 CD ARG A 61 -0.857 -10.322 -4.936 1.00 0.00 C ATOM 686 NE ARG A 61 0.416 -10.961 -5.264 1.00 0.00 N ATOM 687 CZ ARG A 61 0.824 -11.203 -6.508 1.00 0.00 C ATOM 688 NH1 ARG A 61 0.062 -10.866 -7.541 1.00 0.00 N ATOM 689 NH2 ARG A 61 1.996 -11.786 -6.719 1.00 0.00 N ATOM 0 H ARG A 61 2.278 -10.594 -3.209 1.00 0.00 H new ATOM 0 HA ARG A 61 1.562 -9.059 -4.663 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.195 -8.122 -2.364 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.450 -7.773 -4.063 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.490 -10.556 -2.833 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.912 -9.603 -3.209 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.667 -11.038 -5.072 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.038 -9.500 -5.628 1.00 0.00 H new ATOM 0 HE ARG A 61 1.027 -11.237 -4.495 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.841 -10.419 -7.384 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.380 -11.054 -8.492 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.585 -12.049 -5.928 1.00 0.00 H new ATOM 0 HH22 ARG A 61 2.309 -11.972 -7.672 1.00 0.00 H new ATOM 703 N THR A 62 1.686 -6.343 -4.087 1.00 0.00 N ATOM 704 CA THR A 62 2.327 -5.042 -3.957 1.00 0.00 C ATOM 705 C THR A 62 1.324 -4.012 -3.466 1.00 0.00 C ATOM 706 O THR A 62 0.294 -3.788 -4.102 1.00 0.00 O ATOM 707 CB THR A 62 2.901 -4.605 -5.305 1.00 0.00 C ATOM 708 OG1 THR A 62 3.839 -5.553 -5.783 1.00 0.00 O ATOM 709 CG2 THR A 62 3.593 -3.258 -5.255 1.00 0.00 C ATOM 0 H THR A 62 0.861 -6.356 -4.687 1.00 0.00 H new ATOM 0 HA THR A 62 3.138 -5.121 -3.233 1.00 0.00 H new ATOM 0 HB THR A 62 2.042 -4.529 -5.972 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.193 -5.256 -6.647 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.977 -3.009 -6.244 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.882 -2.495 -4.939 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.419 -3.300 -4.545 1.00 0.00 H new ATOM 717 N PHE A 63 1.618 -3.363 -2.349 1.00 0.00 N ATOM 718 CA PHE A 63 0.708 -2.356 -1.820 1.00 0.00 C ATOM 719 C PHE A 63 1.455 -1.092 -1.367 1.00 0.00 C ATOM 720 O PHE A 63 2.609 -1.152 -0.942 1.00 0.00 O ATOM 721 CB PHE A 63 -0.086 -2.933 -0.645 1.00 0.00 C ATOM 722 CG PHE A 63 0.762 -3.634 0.379 1.00 0.00 C ATOM 723 CD1 PHE A 63 1.419 -4.813 0.065 1.00 0.00 C ATOM 724 CD2 PHE A 63 0.896 -3.116 1.656 1.00 0.00 C ATOM 725 CE1 PHE A 63 2.196 -5.461 1.006 1.00 0.00 C ATOM 726 CE2 PHE A 63 1.672 -3.759 2.603 1.00 0.00 C ATOM 727 CZ PHE A 63 2.322 -4.933 2.277 1.00 0.00 C ATOM 0 H PHE A 63 2.464 -3.511 -1.799 1.00 0.00 H new ATOM 0 HA PHE A 63 0.027 -2.074 -2.623 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -0.633 -2.126 -0.158 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -0.827 -3.634 -1.030 1.00 0.00 H new ATOM 0 HD1 PHE A 63 1.323 -5.230 -0.927 1.00 0.00 H new ATOM 0 HD2 PHE A 63 0.388 -2.199 1.916 1.00 0.00 H new ATOM 0 HE1 PHE A 63 2.704 -6.379 0.749 1.00 0.00 H new ATOM 0 HE2 PHE A 63 1.769 -3.344 3.595 1.00 0.00 H new ATOM 0 HZ PHE A 63 2.928 -5.438 3.014 1.00 0.00 H new ATOM 737 N ARG A 64 0.769 0.045 -1.425 1.00 0.00 N ATOM 738 CA ARG A 64 1.329 1.324 -0.972 1.00 0.00 C ATOM 739 C ARG A 64 0.369 1.888 0.066 1.00 0.00 C ATOM 740 O ARG A 64 -0.816 2.013 -0.215 1.00 0.00 O ATOM 741 CB ARG A 64 1.489 2.297 -2.142 1.00 0.00 C ATOM 742 CG ARG A 64 2.114 1.667 -3.376 1.00 0.00 C ATOM 743 CD ARG A 64 3.632 1.720 -3.320 1.00 0.00 C ATOM 744 NE ARG A 64 4.239 0.447 -3.702 1.00 0.00 N ATOM 745 CZ ARG A 64 5.506 0.315 -4.084 1.00 0.00 C ATOM 746 NH1 ARG A 64 6.306 1.373 -4.134 1.00 0.00 N ATOM 747 NH2 ARG A 64 5.978 -0.880 -4.415 1.00 0.00 N ATOM 0 H ARG A 64 -0.184 0.112 -1.783 1.00 0.00 H new ATOM 0 HA ARG A 64 2.321 1.176 -0.544 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.511 2.699 -2.406 1.00 0.00 H new ATOM 0 HB3 ARG A 64 2.104 3.138 -1.823 1.00 0.00 H new ATOM 0 HG2 ARG A 64 1.788 0.630 -3.461 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.763 2.186 -4.268 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.992 2.507 -3.983 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.948 1.984 -2.311 1.00 0.00 H new ATOM 0 HE ARG A 64 3.657 -0.390 -3.674 1.00 0.00 H new ATOM 0 HH11 ARG A 64 5.950 2.294 -3.879 1.00 0.00 H new ATOM 0 HH12 ARG A 64 7.277 1.265 -4.428 1.00 0.00 H new ATOM 0 HH21 ARG A 64 5.369 -1.697 -4.376 1.00 0.00 H new ATOM 0 HH22 ARG A 64 6.950 -0.981 -4.708 1.00 0.00 H new ATOM 761 N VAL A 65 0.842 2.181 1.276 1.00 0.00 N ATOM 762 CA VAL A 65 -0.070 2.650 2.323 1.00 0.00 C ATOM 763 C VAL A 65 0.220 4.047 2.864 1.00 0.00 C ATOM 764 O VAL A 65 1.367 4.477 2.994 1.00 0.00 O ATOM 765 CB VAL A 65 -0.087 1.660 3.503 1.00 0.00 C ATOM 766 CG1 VAL A 65 1.295 1.543 4.124 1.00 0.00 C ATOM 767 CG2 VAL A 65 -1.117 2.074 4.544 1.00 0.00 C ATOM 0 H VAL A 65 1.821 2.106 1.553 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.041 2.707 1.831 1.00 0.00 H new ATOM 0 HB VAL A 65 -0.372 0.680 3.121 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.262 0.839 4.956 1.00 0.00 H new ATOM 0 HG12 VAL A 65 2.002 1.186 3.375 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.614 2.520 4.488 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.110 1.359 5.367 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.873 3.066 4.923 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.107 2.093 4.089 1.00 0.00 H new ATOM 777 N TRP A 66 -0.876 4.718 3.214 1.00 0.00 N ATOM 778 CA TRP A 66 -0.873 6.054 3.791 1.00 0.00 C ATOM 779 C TRP A 66 -1.628 6.059 5.129 1.00 0.00 C ATOM 780 O TRP A 66 -2.804 5.671 5.204 1.00 0.00 O ATOM 781 CB TRP A 66 -1.548 7.060 2.853 1.00 0.00 C ATOM 782 CG TRP A 66 -1.247 6.874 1.397 1.00 0.00 C ATOM 783 CD1 TRP A 66 -0.059 7.113 0.767 1.00 0.00 C ATOM 784 CD2 TRP A 66 -2.160 6.440 0.378 1.00 0.00 C ATOM 785 NE1 TRP A 66 -0.178 6.861 -0.577 1.00 0.00 N ATOM 786 CE2 TRP A 66 -1.458 6.446 -0.840 1.00 0.00 C ATOM 787 CE3 TRP A 66 -3.505 6.046 0.375 1.00 0.00 C ATOM 788 CZ2 TRP A 66 -2.052 6.080 -2.043 1.00 0.00 C ATOM 789 CZ3 TRP A 66 -4.092 5.683 -0.816 1.00 0.00 C ATOM 790 CH2 TRP A 66 -3.368 5.704 -2.012 1.00 0.00 C ATOM 0 H TRP A 66 -1.814 4.334 3.100 1.00 0.00 H new ATOM 0 HA TRP A 66 0.167 6.342 3.944 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -2.627 6.999 2.996 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -1.245 8.065 3.145 1.00 0.00 H new ATOM 0 HD1 TRP A 66 0.843 7.451 1.255 1.00 0.00 H new ATOM 0 HE1 TRP A 66 0.565 6.965 -1.268 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -4.073 6.027 1.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -1.495 6.092 -2.968 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -5.128 5.377 -0.827 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -3.857 5.417 -2.931 1.00 0.00 H new ATOM 801 N TYR A 67 -0.944 6.521 6.175 1.00 0.00 N ATOM 802 CA TYR A 67 -1.533 6.605 7.506 1.00 0.00 C ATOM 803 C TYR A 67 -1.735 8.064 7.899 1.00 0.00 C ATOM 804 O TYR A 67 -1.330 8.970 7.173 1.00 0.00 O ATOM 805 CB TYR A 67 -0.645 5.921 8.551 1.00 0.00 C ATOM 806 CG TYR A 67 0.073 4.686 8.055 1.00 0.00 C ATOM 807 CD1 TYR A 67 -0.600 3.479 7.905 1.00 0.00 C ATOM 808 CD2 TYR A 67 1.428 4.723 7.753 1.00 0.00 C ATOM 809 CE1 TYR A 67 0.059 2.347 7.467 1.00 0.00 C ATOM 810 CE2 TYR A 67 2.093 3.595 7.312 1.00 0.00 C ATOM 811 CZ TYR A 67 1.404 2.409 7.173 1.00 0.00 C ATOM 812 OH TYR A 67 2.064 1.284 6.739 1.00 0.00 O ATOM 0 H TYR A 67 0.022 6.843 6.123 1.00 0.00 H new ATOM 0 HA TYR A 67 -2.495 6.093 7.476 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.095 6.638 8.905 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.260 5.648 9.409 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.654 3.426 8.134 1.00 0.00 H new ATOM 0 HD2 TYR A 67 1.971 5.650 7.865 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.478 1.417 7.355 1.00 0.00 H new ATOM 0 HE2 TYR A 67 3.146 3.642 7.078 1.00 0.00 H new ATOM 0 HH TYR A 67 3.006 1.500 6.575 1.00 0.00 H new ATOM 822 N LYS A 68 -2.353 8.285 9.053 1.00 0.00 N ATOM 823 CA LYS A 68 -2.592 9.639 9.537 1.00 0.00 C ATOM 824 C LYS A 68 -1.295 10.266 10.044 1.00 0.00 C ATOM 825 O LYS A 68 -1.179 10.610 11.221 1.00 0.00 O ATOM 826 CB LYS A 68 -3.636 9.632 10.657 1.00 0.00 C ATOM 827 CG LYS A 68 -4.862 8.789 10.347 1.00 0.00 C ATOM 828 CD LYS A 68 -5.525 8.287 11.620 1.00 0.00 C ATOM 829 CE LYS A 68 -5.082 6.873 11.959 1.00 0.00 C ATOM 830 NZ LYS A 68 -3.674 6.834 12.446 1.00 0.00 N ATOM 0 H LYS A 68 -2.696 7.548 9.669 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.969 10.234 8.705 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.172 9.260 11.571 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.951 10.657 10.854 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.575 9.379 9.771 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.575 7.941 9.725 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.280 8.954 12.446 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.608 8.311 11.501 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.742 6.459 12.722 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.179 6.241 11.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -3.443 5.871 12.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.032 7.109 11.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -3.563 7.495 13.241 1.00 0.00 H new ATOM 844 N GLY A 69 -0.318 10.411 9.153 1.00 0.00 N ATOM 845 CA GLY A 69 0.954 10.994 9.540 1.00 0.00 C ATOM 846 C GLY A 69 2.034 10.811 8.490 1.00 0.00 C ATOM 847 O GLY A 69 2.485 11.783 7.882 1.00 0.00 O ATOM 0 H GLY A 69 -0.384 10.136 8.173 1.00 0.00 H new ATOM 0 HA2 GLY A 69 0.817 12.058 9.730 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.284 10.543 10.476 1.00 0.00 H new ATOM 851 N LYS A 70 2.458 9.568 8.282 1.00 0.00 N ATOM 852 CA LYS A 70 3.502 9.272 7.304 1.00 0.00 C ATOM 853 C LYS A 70 3.032 8.245 6.276 1.00 0.00 C ATOM 854 O LYS A 70 1.983 7.617 6.438 1.00 0.00 O ATOM 855 CB LYS A 70 4.758 8.758 8.013 1.00 0.00 C ATOM 856 CG LYS A 70 5.640 9.866 8.566 1.00 0.00 C ATOM 857 CD LYS A 70 6.741 9.309 9.454 1.00 0.00 C ATOM 858 CE LYS A 70 8.056 9.186 8.702 1.00 0.00 C ATOM 859 NZ LYS A 70 8.964 10.334 8.981 1.00 0.00 N ATOM 0 H LYS A 70 2.097 8.751 8.775 1.00 0.00 H new ATOM 0 HA LYS A 70 3.734 10.197 6.776 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.461 8.100 8.829 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.339 8.157 7.314 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.083 10.425 7.742 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.031 10.567 9.136 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.875 9.958 10.319 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.444 8.331 9.832 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.550 8.256 8.983 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.858 9.131 7.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.850 10.213 8.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.504 11.220 8.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.173 10.372 9.999 1.00 0.00 H new ATOM 873 N ILE A 71 3.820 8.083 5.214 1.00 0.00 N ATOM 874 CA ILE A 71 3.497 7.140 4.152 1.00 0.00 C ATOM 875 C ILE A 71 4.675 6.214 3.854 1.00 0.00 C ATOM 876 O ILE A 71 5.826 6.648 3.826 1.00 0.00 O ATOM 877 CB ILE A 71 3.093 7.874 2.860 1.00 0.00 C ATOM 878 CG1 ILE A 71 4.250 8.734 2.347 1.00 0.00 C ATOM 879 CG2 ILE A 71 1.859 8.732 3.104 1.00 0.00 C ATOM 880 CD1 ILE A 71 3.934 9.469 1.063 1.00 0.00 C ATOM 0 H ILE A 71 4.689 8.596 5.069 1.00 0.00 H new ATOM 0 HA ILE A 71 2.655 6.543 4.503 1.00 0.00 H new ATOM 0 HB ILE A 71 2.855 7.131 2.099 1.00 0.00 H new ATOM 0 HG12 ILE A 71 4.521 9.459 3.114 1.00 0.00 H new ATOM 0 HG13 ILE A 71 5.121 8.099 2.187 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.585 9.245 2.182 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.033 8.098 3.426 1.00 0.00 H new ATOM 0 HG23 ILE A 71 2.075 9.468 3.879 1.00 0.00 H new ATOM 0 HD11 ILE A 71 4.799 10.058 0.759 1.00 0.00 H new ATOM 0 HD12 ILE A 71 3.692 8.749 0.281 1.00 0.00 H new ATOM 0 HD13 ILE A 71 3.083 10.131 1.223 1.00 0.00 H new ATOM 892 N MET A 72 4.379 4.938 3.628 1.00 0.00 N ATOM 893 CA MET A 72 5.410 3.949 3.327 1.00 0.00 C ATOM 894 C MET A 72 4.968 3.029 2.190 1.00 0.00 C ATOM 895 O MET A 72 3.779 2.925 1.887 1.00 0.00 O ATOM 896 CB MET A 72 5.734 3.124 4.576 1.00 0.00 C ATOM 897 CG MET A 72 7.132 3.372 5.121 1.00 0.00 C ATOM 898 SD MET A 72 8.109 1.862 5.253 1.00 0.00 S ATOM 899 CE MET A 72 9.633 2.374 4.462 1.00 0.00 C ATOM 0 H MET A 72 3.431 4.563 3.648 1.00 0.00 H new ATOM 0 HA MET A 72 6.308 4.480 3.009 1.00 0.00 H new ATOM 0 HB2 MET A 72 5.004 3.353 5.352 1.00 0.00 H new ATOM 0 HB3 MET A 72 5.627 2.065 4.340 1.00 0.00 H new ATOM 0 HG2 MET A 72 7.650 4.079 4.472 1.00 0.00 H new ATOM 0 HG3 MET A 72 7.057 3.838 6.104 1.00 0.00 H new ATOM 0 HE1 MET A 72 10.341 1.545 4.465 1.00 0.00 H new ATOM 0 HE2 MET A 72 9.427 2.671 3.434 1.00 0.00 H new ATOM 0 HE3 MET A 72 10.059 3.217 5.005 1.00 0.00 H new ATOM 909 N ARG A 73 5.934 2.363 1.562 1.00 0.00 N ATOM 910 CA ARG A 73 5.644 1.451 0.459 1.00 0.00 C ATOM 911 C ARG A 73 6.167 0.051 0.765 1.00 0.00 C ATOM 912 O ARG A 73 7.324 -0.115 1.154 1.00 0.00 O ATOM 913 CB ARG A 73 6.268 1.968 -0.839 1.00 0.00 C ATOM 914 CG ARG A 73 6.091 3.464 -1.051 1.00 0.00 C ATOM 915 CD ARG A 73 7.154 4.027 -1.981 1.00 0.00 C ATOM 916 NE ARG A 73 7.854 5.164 -1.386 1.00 0.00 N ATOM 917 CZ ARG A 73 8.837 5.048 -0.495 1.00 0.00 C ATOM 918 NH1 ARG A 73 9.241 3.848 -0.094 1.00 0.00 N ATOM 919 NH2 ARG A 73 9.420 6.134 -0.005 1.00 0.00 N ATOM 0 H ARG A 73 6.924 2.438 1.798 1.00 0.00 H new ATOM 0 HA ARG A 73 4.562 1.400 0.336 1.00 0.00 H new ATOM 0 HB2 ARG A 73 7.333 1.734 -0.838 1.00 0.00 H new ATOM 0 HB3 ARG A 73 5.825 1.436 -1.681 1.00 0.00 H new ATOM 0 HG2 ARG A 73 5.103 3.659 -1.467 1.00 0.00 H new ATOM 0 HG3 ARG A 73 6.139 3.976 -0.090 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.873 3.245 -2.225 1.00 0.00 H new ATOM 0 HD3 ARG A 73 6.690 4.336 -2.917 1.00 0.00 H new ATOM 0 HE ARG A 73 7.573 6.102 -1.670 1.00 0.00 H new ATOM 0 HH11 ARG A 73 8.798 3.009 -0.469 1.00 0.00 H new ATOM 0 HH12 ARG A 73 9.994 3.765 0.589 1.00 0.00 H new ATOM 0 HH21 ARG A 73 9.115 7.058 -0.311 1.00 0.00 H new ATOM 0 HH22 ARG A 73 10.173 6.045 0.677 1.00 0.00 H new ATOM 933 N ILE A 74 5.313 -0.955 0.591 1.00 0.00 N ATOM 934 CA ILE A 74 5.703 -2.335 0.855 1.00 0.00 C ATOM 935 C ILE A 74 5.488 -3.223 -0.367 1.00 0.00 C ATOM 936 O ILE A 74 4.386 -3.301 -0.909 1.00 0.00 O ATOM 937 CB ILE A 74 4.916 -2.923 2.042 1.00 0.00 C ATOM 938 CG1 ILE A 74 4.919 -1.946 3.221 1.00 0.00 C ATOM 939 CG2 ILE A 74 5.502 -4.264 2.454 1.00 0.00 C ATOM 940 CD1 ILE A 74 3.621 -1.185 3.379 1.00 0.00 C ATOM 0 H ILE A 74 4.352 -0.840 0.270 1.00 0.00 H new ATOM 0 HA ILE A 74 6.765 -2.315 1.099 1.00 0.00 H new ATOM 0 HB ILE A 74 3.883 -3.081 1.731 1.00 0.00 H new ATOM 0 HG12 ILE A 74 5.121 -2.498 4.139 1.00 0.00 H new ATOM 0 HG13 ILE A 74 5.734 -1.234 3.091 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.935 -4.666 3.294 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.449 -4.958 1.615 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.543 -4.131 2.749 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.695 -0.512 4.233 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.427 -0.605 2.476 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.804 -1.888 3.541 1.00 0.00 H new ATOM 952 N LYS A 75 6.551 -3.900 -0.791 1.00 0.00 N ATOM 953 CA LYS A 75 6.487 -4.794 -1.941 1.00 0.00 C ATOM 954 C LYS A 75 6.981 -6.188 -1.567 1.00 0.00 C ATOM 955 O LYS A 75 8.061 -6.344 -1.000 1.00 0.00 O ATOM 956 CB LYS A 75 7.320 -4.236 -3.097 1.00 0.00 C ATOM 957 CG LYS A 75 8.767 -3.952 -2.725 1.00 0.00 C ATOM 958 CD LYS A 75 9.631 -3.750 -3.960 1.00 0.00 C ATOM 959 CE LYS A 75 9.880 -2.275 -4.233 1.00 0.00 C ATOM 960 NZ LYS A 75 10.621 -1.622 -3.119 1.00 0.00 N ATOM 0 H LYS A 75 7.470 -3.845 -0.353 1.00 0.00 H new ATOM 0 HA LYS A 75 5.447 -4.867 -2.259 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.299 -4.946 -3.924 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.859 -3.316 -3.455 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.814 -3.062 -2.097 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.161 -4.780 -2.135 1.00 0.00 H new ATOM 0 HD2 LYS A 75 10.584 -4.262 -3.826 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.144 -4.203 -4.824 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.446 -2.168 -5.158 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.927 -1.767 -4.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.212 -0.855 -3.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.944 -1.231 -2.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.226 -2.324 -2.646 1.00 0.00 H new ATOM 974 N GLY A 76 6.179 -7.201 -1.880 1.00 0.00 N ATOM 975 CA GLY A 76 6.552 -8.566 -1.562 1.00 0.00 C ATOM 976 C GLY A 76 7.286 -9.252 -2.697 1.00 0.00 C ATOM 977 O GLY A 76 7.097 -8.911 -3.864 1.00 0.00 O ATOM 0 H GLY A 76 5.278 -7.100 -2.348 1.00 0.00 H new ATOM 0 HA2 GLY A 76 7.183 -8.568 -0.673 1.00 0.00 H new ATOM 0 HA3 GLY A 76 5.655 -9.136 -1.318 1.00 0.00 H new ATOM 981 N ASP A 77 8.127 -10.224 -2.353 1.00 0.00 N ATOM 982 CA ASP A 77 8.894 -10.966 -3.347 1.00 0.00 C ATOM 983 C ASP A 77 9.724 -10.024 -4.215 1.00 0.00 C ATOM 984 O ASP A 77 9.208 -9.407 -5.147 1.00 0.00 O ATOM 985 CB ASP A 77 7.957 -11.795 -4.228 1.00 0.00 C ATOM 986 CG ASP A 77 7.773 -13.207 -3.705 1.00 0.00 C ATOM 987 OD1 ASP A 77 8.786 -13.845 -3.351 1.00 0.00 O ATOM 988 OD2 ASP A 77 6.615 -13.673 -3.650 1.00 0.00 O ATOM 0 H ASP A 77 8.294 -10.516 -1.390 1.00 0.00 H new ATOM 0 HA ASP A 77 9.574 -11.634 -2.818 1.00 0.00 H new ATOM 0 HB2 ASP A 77 6.986 -11.302 -4.286 1.00 0.00 H new ATOM 0 HB3 ASP A 77 8.356 -11.835 -5.242 1.00 0.00 H new TER 993 ASP A 77