USER MOD reduce.3.24.130724 H: found=0, std=0, add=931, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 926 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 2 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 3 MET CE :methyl -175:sc= 0 (180deg=-0.022) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot 85:sc= -0.0919 USER MOD Single : A 19 HIS : no HD1:sc= -0.0705 X(o=-0.071,f=-0.011) USER MOD Single : A 21 LYS NZ :NH3+ 157:sc=-2.67e-05 (180deg=-0.635) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.0156 K(o=-0.016,f=-0.95) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.0483 X(o=-0.048,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -169:sc= 1.01 (180deg=0.89) USER MOD Single : A 39 SER OG : rot 160:sc= 0.19 USER MOD Single : A 41 MET CE :methyl -166:sc= -0.106 (180deg=-0.501) USER MOD Single : A 43 LYS NZ :NH3+ -170:sc= 1.02 (180deg=0.75) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 77:sc= 0.184 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot -100:sc= -0.351 USER MOD Single : A 61 LYS NZ :NH3+ 160:sc= 1.29 (180deg=0.911) USER MOD Single : A 71 LYS NZ :NH3+ 155:sc= 1.24 (180deg=1.09) USER MOD Single : A 77 LYS NZ :NH3+ 147:sc= 0.962 (180deg=0.0482) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HE2:sc= -0.0848 X(o=-0.085,f=-0.26) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 HIS :FLIP no HD1:sc= 0.0834 F(o=-1.3,f=0.083) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 176:sc= 0.783 (180deg=0.774) USER MOD Single : A 100 ASN : amide:sc= 0.642 K(o=0.64,f=-1.4) USER MOD Single : A 104 THR OG1 : rot -24:sc= 0.0687 USER MOD Single : A 105 GLN : amide:sc= 0.874 K(o=0.87,f=-0.088) USER MOD Single : A 107 ASN : amide:sc= 0.993 K(o=0.99,f=-3.5!) USER MOD Single : A 109 MET CE :methyl -110:sc= -0.956 (180deg=-1.93) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 MET CE :methyl 180:sc=-0.00782 (180deg=-0.00782) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.679 16.520 -1.347 1.00 0.00 N ATOM 2 CA GLY A 1 -18.885 15.292 -1.576 1.00 0.00 C ATOM 3 C GLY A 1 -19.674 14.051 -1.191 1.00 0.00 C ATOM 4 O GLY A 1 -20.163 13.957 -0.065 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.117 17.352 -1.618 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.545 16.485 -1.921 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.933 16.586 -0.341 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.596 15.232 -2.625 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.964 15.337 -0.994 1.00 0.00 H new ATOM 10 N SER A 2 -19.812 13.098 -2.120 1.00 0.00 N ATOM 11 CA SER A 2 -20.666 11.895 -1.997 1.00 0.00 C ATOM 12 C SER A 2 -19.972 10.573 -2.380 1.00 0.00 C ATOM 13 O SER A 2 -20.619 9.523 -2.434 1.00 0.00 O ATOM 14 CB SER A 2 -21.939 12.101 -2.831 1.00 0.00 C ATOM 15 OG SER A 2 -21.611 12.350 -4.192 1.00 0.00 O ATOM 0 H SER A 2 -19.318 13.138 -3.012 1.00 0.00 H new ATOM 0 HA SER A 2 -20.906 11.787 -0.939 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.574 11.218 -2.760 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.511 12.938 -2.430 1.00 0.00 H new ATOM 0 HG SER A 2 -22.434 12.477 -4.709 1.00 0.00 H new ATOM 21 N MET A 3 -18.658 10.602 -2.639 1.00 0.00 N ATOM 22 CA MET A 3 -17.838 9.478 -3.113 1.00 0.00 C ATOM 23 C MET A 3 -16.562 9.275 -2.275 1.00 0.00 C ATOM 24 O MET A 3 -16.157 10.158 -1.514 1.00 0.00 O ATOM 25 CB MET A 3 -17.513 9.670 -4.610 1.00 0.00 C ATOM 26 CG MET A 3 -16.489 10.776 -4.934 1.00 0.00 C ATOM 27 SD MET A 3 -16.946 12.494 -4.540 1.00 0.00 S ATOM 28 CE MET A 3 -18.275 12.765 -5.744 1.00 0.00 C ATOM 0 H MET A 3 -18.110 11.453 -2.518 1.00 0.00 H new ATOM 0 HA MET A 3 -18.419 8.564 -2.989 1.00 0.00 H new ATOM 0 HB2 MET A 3 -17.138 8.726 -5.006 1.00 0.00 H new ATOM 0 HB3 MET A 3 -18.440 9.892 -5.139 1.00 0.00 H new ATOM 0 HG2 MET A 3 -15.566 10.544 -4.403 1.00 0.00 H new ATOM 0 HG3 MET A 3 -16.265 10.724 -6.000 1.00 0.00 H new ATOM 0 HE1 MET A 3 -18.605 13.803 -5.695 1.00 0.00 H new ATOM 0 HE2 MET A 3 -17.907 12.548 -6.747 1.00 0.00 H new ATOM 0 HE3 MET A 3 -19.113 12.107 -5.515 1.00 0.00 H new ATOM 38 N HIS A 4 -15.903 8.124 -2.457 1.00 0.00 N ATOM 39 CA HIS A 4 -14.683 7.731 -1.729 1.00 0.00 C ATOM 40 C HIS A 4 -13.490 7.374 -2.638 1.00 0.00 C ATOM 41 O HIS A 4 -12.374 7.215 -2.145 1.00 0.00 O ATOM 42 CB HIS A 4 -15.021 6.577 -0.770 1.00 0.00 C ATOM 43 CG HIS A 4 -16.124 6.901 0.211 1.00 0.00 C ATOM 44 ND1 HIS A 4 -16.029 7.759 1.286 1.00 0.00 N ATOM 45 CD2 HIS A 4 -17.403 6.413 0.181 1.00 0.00 C ATOM 46 CE1 HIS A 4 -17.228 7.793 1.894 1.00 0.00 C ATOM 47 NE2 HIS A 4 -18.097 6.987 1.256 1.00 0.00 N ATOM 0 H HIS A 4 -16.208 7.421 -3.130 1.00 0.00 H new ATOM 0 HA HIS A 4 -14.349 8.604 -1.168 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -15.313 5.705 -1.355 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -14.123 6.303 -0.215 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -17.804 5.714 -0.538 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -17.460 8.382 2.769 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -19.072 6.825 1.506 1.00 0.00 H new ATOM 55 N GLU A 5 -13.674 7.288 -3.962 1.00 0.00 N ATOM 56 CA GLU A 5 -12.609 6.952 -4.926 1.00 0.00 C ATOM 57 C GLU A 5 -11.437 7.950 -4.881 1.00 0.00 C ATOM 58 O GLU A 5 -10.269 7.554 -4.866 1.00 0.00 O ATOM 59 CB GLU A 5 -13.231 6.868 -6.330 1.00 0.00 C ATOM 60 CG GLU A 5 -12.229 6.444 -7.412 1.00 0.00 C ATOM 61 CD GLU A 5 -12.956 6.112 -8.730 1.00 0.00 C ATOM 62 OE1 GLU A 5 -13.165 7.027 -9.564 1.00 0.00 O ATOM 63 OE2 GLU A 5 -13.330 4.932 -8.938 1.00 0.00 O ATOM 0 H GLU A 5 -14.579 7.452 -4.404 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.180 5.987 -4.655 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -14.058 6.158 -6.312 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.650 7.839 -6.593 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -11.508 7.244 -7.580 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -11.666 5.574 -7.073 1.00 0.00 H new ATOM 70 N TYR A 6 -11.744 9.248 -4.797 1.00 0.00 N ATOM 71 CA TYR A 6 -10.760 10.330 -4.688 1.00 0.00 C ATOM 72 C TYR A 6 -10.201 10.544 -3.268 1.00 0.00 C ATOM 73 O TYR A 6 -9.375 11.437 -3.076 1.00 0.00 O ATOM 74 CB TYR A 6 -11.372 11.626 -5.246 1.00 0.00 C ATOM 75 CG TYR A 6 -11.825 11.534 -6.693 1.00 0.00 C ATOM 76 CD1 TYR A 6 -10.917 11.120 -7.690 1.00 0.00 C ATOM 77 CD2 TYR A 6 -13.145 11.879 -7.046 1.00 0.00 C ATOM 78 CE1 TYR A 6 -11.321 11.064 -9.036 1.00 0.00 C ATOM 79 CE2 TYR A 6 -13.555 11.819 -8.394 1.00 0.00 C ATOM 80 CZ TYR A 6 -12.641 11.414 -9.394 1.00 0.00 C ATOM 81 OH TYR A 6 -13.018 11.373 -10.703 1.00 0.00 O ATOM 0 H TYR A 6 -12.707 9.584 -4.803 1.00 0.00 H new ATOM 0 HA TYR A 6 -9.895 10.032 -5.281 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -12.225 11.906 -4.628 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -10.638 12.427 -5.158 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -9.908 10.845 -7.419 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -13.844 12.190 -6.283 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -10.620 10.753 -9.797 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -14.567 12.082 -8.663 1.00 0.00 H new ATOM 0 HH TYR A 6 -13.957 11.641 -10.781 1.00 0.00 H new ATOM 91 N SER A 7 -10.614 9.744 -2.274 1.00 0.00 N ATOM 92 CA SER A 7 -10.146 9.853 -0.882 1.00 0.00 C ATOM 93 C SER A 7 -8.623 9.712 -0.782 1.00 0.00 C ATOM 94 O SER A 7 -7.959 10.626 -0.290 1.00 0.00 O ATOM 95 CB SER A 7 -10.853 8.826 0.012 1.00 0.00 C ATOM 96 OG SER A 7 -10.506 9.012 1.375 1.00 0.00 O ATOM 0 H SER A 7 -11.291 8.994 -2.415 1.00 0.00 H new ATOM 0 HA SER A 7 -10.403 10.851 -0.527 1.00 0.00 H new ATOM 0 HB2 SER A 7 -11.933 8.917 -0.107 1.00 0.00 H new ATOM 0 HB3 SER A 7 -10.581 7.818 -0.302 1.00 0.00 H new ATOM 0 HG SER A 7 -10.971 8.347 1.925 1.00 0.00 H new ATOM 102 N VAL A 8 -8.045 8.625 -1.320 1.00 0.00 N ATOM 103 CA VAL A 8 -6.579 8.439 -1.390 1.00 0.00 C ATOM 104 C VAL A 8 -5.925 9.584 -2.153 1.00 0.00 C ATOM 105 O VAL A 8 -4.936 10.155 -1.701 1.00 0.00 O ATOM 106 CB VAL A 8 -6.140 7.128 -2.079 1.00 0.00 C ATOM 107 CG1 VAL A 8 -4.707 6.781 -1.661 1.00 0.00 C ATOM 108 CG2 VAL A 8 -7.022 5.924 -1.780 1.00 0.00 C ATOM 0 H VAL A 8 -8.576 7.850 -1.719 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.258 8.406 -0.349 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.223 7.325 -3.148 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.400 5.856 -2.148 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.036 7.587 -1.957 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.664 6.653 -0.579 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.636 5.051 -2.306 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -7.022 5.730 -0.707 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.040 6.127 -2.112 1.00 0.00 H new ATOM 118 N VAL A 9 -6.485 9.914 -3.321 1.00 0.00 N ATOM 119 CA VAL A 9 -5.929 10.873 -4.268 1.00 0.00 C ATOM 120 C VAL A 9 -5.737 12.246 -3.616 1.00 0.00 C ATOM 121 O VAL A 9 -4.609 12.711 -3.467 1.00 0.00 O ATOM 122 CB VAL A 9 -6.831 10.978 -5.508 1.00 0.00 C ATOM 123 CG1 VAL A 9 -6.218 11.918 -6.543 1.00 0.00 C ATOM 124 CG2 VAL A 9 -7.058 9.614 -6.176 1.00 0.00 C ATOM 0 H VAL A 9 -7.364 9.506 -3.639 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.948 10.516 -4.580 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.788 11.366 -5.159 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.872 11.978 -7.413 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.100 12.911 -6.108 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.243 11.537 -6.848 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.701 9.738 -7.047 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.100 9.198 -6.488 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.534 8.937 -5.467 1.00 0.00 H new ATOM 134 N SER A 10 -6.838 12.874 -3.188 1.00 0.00 N ATOM 135 CA SER A 10 -6.866 14.145 -2.453 1.00 0.00 C ATOM 136 C SER A 10 -6.018 14.107 -1.173 1.00 0.00 C ATOM 137 O SER A 10 -5.294 15.061 -0.879 1.00 0.00 O ATOM 138 CB SER A 10 -8.323 14.494 -2.123 1.00 0.00 C ATOM 139 OG SER A 10 -8.414 15.789 -1.553 1.00 0.00 O ATOM 0 H SER A 10 -7.771 12.496 -3.350 1.00 0.00 H new ATOM 0 HA SER A 10 -6.427 14.914 -3.089 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.927 14.447 -3.029 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.730 13.757 -1.430 1.00 0.00 H new ATOM 0 HG SER A 10 -9.351 15.993 -1.351 1.00 0.00 H new ATOM 145 N SER A 11 -6.042 12.984 -0.441 1.00 0.00 N ATOM 146 CA SER A 11 -5.208 12.786 0.756 1.00 0.00 C ATOM 147 C SER A 11 -3.710 12.881 0.440 1.00 0.00 C ATOM 148 O SER A 11 -2.987 13.584 1.143 1.00 0.00 O ATOM 149 CB SER A 11 -5.538 11.458 1.446 1.00 0.00 C ATOM 150 OG SER A 11 -4.815 11.330 2.660 1.00 0.00 O ATOM 0 H SER A 11 -6.639 12.187 -0.661 1.00 0.00 H new ATOM 0 HA SER A 11 -5.444 13.597 1.445 1.00 0.00 H new ATOM 0 HB2 SER A 11 -6.608 11.403 1.647 1.00 0.00 H new ATOM 0 HB3 SER A 11 -5.295 10.628 0.783 1.00 0.00 H new ATOM 0 HG SER A 11 -5.040 10.477 3.086 1.00 0.00 H new ATOM 156 N LEU A 12 -3.237 12.268 -0.652 1.00 0.00 N ATOM 157 CA LEU A 12 -1.853 12.397 -1.129 1.00 0.00 C ATOM 158 C LEU A 12 -1.465 13.863 -1.381 1.00 0.00 C ATOM 159 O LEU A 12 -0.414 14.294 -0.911 1.00 0.00 O ATOM 160 CB LEU A 12 -1.622 11.531 -2.389 1.00 0.00 C ATOM 161 CG LEU A 12 -0.819 10.236 -2.171 1.00 0.00 C ATOM 162 CD1 LEU A 12 0.631 10.508 -1.766 1.00 0.00 C ATOM 163 CD2 LEU A 12 -1.468 9.317 -1.136 1.00 0.00 C ATOM 0 H LEU A 12 -3.811 11.661 -1.237 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.200 12.027 -0.338 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.593 11.268 -2.810 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.105 12.136 -3.134 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.821 9.731 -3.137 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.153 9.562 -1.625 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.126 11.082 -2.549 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.649 11.075 -0.835 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.864 8.418 -1.018 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.536 9.836 -0.180 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.468 9.041 -1.471 1.00 0.00 H new ATOM 175 N ILE A 13 -2.314 14.640 -2.066 1.00 0.00 N ATOM 176 CA ILE A 13 -2.086 16.081 -2.295 1.00 0.00 C ATOM 177 C ILE A 13 -1.897 16.825 -0.959 1.00 0.00 C ATOM 178 O ILE A 13 -0.905 17.532 -0.759 1.00 0.00 O ATOM 179 CB ILE A 13 -3.228 16.738 -3.115 1.00 0.00 C ATOM 180 CG1 ILE A 13 -3.767 15.931 -4.310 1.00 0.00 C ATOM 181 CG2 ILE A 13 -2.775 18.107 -3.629 1.00 0.00 C ATOM 182 CD1 ILE A 13 -2.728 15.489 -5.343 1.00 0.00 C ATOM 0 H ILE A 13 -3.179 14.292 -2.479 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.172 16.164 -2.883 1.00 0.00 H new ATOM 0 HB ILE A 13 -4.055 16.803 -2.407 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.270 15.043 -3.926 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.522 16.531 -4.817 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.580 18.564 -4.204 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.523 18.748 -2.784 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.899 17.985 -4.265 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.221 14.929 -6.138 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.239 16.367 -5.766 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -1.983 14.856 -4.862 1.00 0.00 H new ATOM 194 N ALA A 14 -2.834 16.631 -0.024 1.00 0.00 N ATOM 195 CA ALA A 14 -2.825 17.244 1.305 1.00 0.00 C ATOM 196 C ALA A 14 -1.575 16.876 2.127 1.00 0.00 C ATOM 197 O ALA A 14 -0.924 17.750 2.704 1.00 0.00 O ATOM 198 CB ALA A 14 -4.106 16.821 2.032 1.00 0.00 C ATOM 0 H ALA A 14 -3.641 16.026 -0.177 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.789 18.327 1.189 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.123 17.266 3.027 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.974 17.161 1.467 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.133 15.735 2.120 1.00 0.00 H new ATOM 204 N LEU A 15 -1.229 15.586 2.167 1.00 0.00 N ATOM 205 CA LEU A 15 -0.035 15.044 2.815 1.00 0.00 C ATOM 206 C LEU A 15 1.247 15.660 2.242 1.00 0.00 C ATOM 207 O LEU A 15 2.064 16.162 3.008 1.00 0.00 O ATOM 208 CB LEU A 15 -0.037 13.511 2.672 1.00 0.00 C ATOM 209 CG LEU A 15 -1.022 12.774 3.603 1.00 0.00 C ATOM 210 CD1 LEU A 15 -1.105 11.301 3.193 1.00 0.00 C ATOM 211 CD2 LEU A 15 -0.595 12.830 5.071 1.00 0.00 C ATOM 0 H LEU A 15 -1.799 14.862 1.730 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.056 15.304 3.873 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.276 13.257 1.639 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.970 13.141 2.866 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.986 13.274 3.504 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.801 10.779 3.850 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.455 11.229 2.163 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.118 10.845 3.273 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.323 12.296 5.682 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.384 12.364 5.183 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.542 13.869 5.395 1.00 0.00 H new ATOM 223 N CYS A 16 1.427 15.665 0.918 1.00 0.00 N ATOM 224 CA CYS A 16 2.580 16.281 0.255 1.00 0.00 C ATOM 225 C CYS A 16 2.754 17.763 0.626 1.00 0.00 C ATOM 226 O CYS A 16 3.847 18.162 1.024 1.00 0.00 O ATOM 227 CB CYS A 16 2.450 16.096 -1.260 1.00 0.00 C ATOM 228 SG CYS A 16 2.764 14.358 -1.674 1.00 0.00 S ATOM 0 H CYS A 16 0.768 15.236 0.268 1.00 0.00 H new ATOM 0 HA CYS A 16 3.481 15.779 0.606 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.453 16.387 -1.590 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.159 16.741 -1.780 1.00 0.00 H new ATOM 0 HG CYS A 16 1.667 13.674 -1.537 1.00 0.00 H new ATOM 234 N GLU A 17 1.689 18.568 0.547 1.00 0.00 N ATOM 235 CA GLU A 17 1.686 19.968 0.997 1.00 0.00 C ATOM 236 C GLU A 17 2.123 20.101 2.468 1.00 0.00 C ATOM 237 O GLU A 17 3.080 20.818 2.768 1.00 0.00 O ATOM 238 CB GLU A 17 0.298 20.577 0.737 1.00 0.00 C ATOM 239 CG GLU A 17 0.187 22.079 1.042 1.00 0.00 C ATOM 240 CD GLU A 17 1.031 22.954 0.092 1.00 0.00 C ATOM 241 OE1 GLU A 17 0.609 23.183 -1.067 1.00 0.00 O ATOM 242 OE2 GLU A 17 2.105 23.443 0.514 1.00 0.00 O ATOM 0 H GLU A 17 0.794 18.264 0.165 1.00 0.00 H new ATOM 0 HA GLU A 17 2.423 20.529 0.423 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.034 20.412 -0.308 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.437 20.043 1.340 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.858 22.381 0.972 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.503 22.259 2.069 1.00 0.00 H new ATOM 249 N GLU A 18 1.465 19.385 3.386 1.00 0.00 N ATOM 250 CA GLU A 18 1.758 19.414 4.826 1.00 0.00 C ATOM 251 C GLU A 18 3.196 18.984 5.160 1.00 0.00 C ATOM 252 O GLU A 18 3.904 19.691 5.880 1.00 0.00 O ATOM 253 CB GLU A 18 0.722 18.564 5.581 1.00 0.00 C ATOM 254 CG GLU A 18 0.867 18.699 7.104 1.00 0.00 C ATOM 255 CD GLU A 18 -0.269 17.963 7.839 1.00 0.00 C ATOM 256 OE1 GLU A 18 -1.335 18.579 8.091 1.00 0.00 O ATOM 257 OE2 GLU A 18 -0.101 16.769 8.189 1.00 0.00 O ATOM 0 H GLU A 18 0.699 18.756 3.146 1.00 0.00 H new ATOM 0 HA GLU A 18 1.682 20.450 5.156 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.282 18.868 5.284 1.00 0.00 H new ATOM 0 HB3 GLU A 18 0.835 17.518 5.297 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.829 18.294 7.418 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.860 19.753 7.381 1.00 0.00 H new ATOM 264 N HIS A 19 3.664 17.855 4.625 1.00 0.00 N ATOM 265 CA HIS A 19 5.035 17.384 4.822 1.00 0.00 C ATOM 266 C HIS A 19 6.063 18.372 4.259 1.00 0.00 C ATOM 267 O HIS A 19 7.086 18.611 4.900 1.00 0.00 O ATOM 268 CB HIS A 19 5.217 16.005 4.177 1.00 0.00 C ATOM 269 CG HIS A 19 4.448 14.886 4.841 1.00 0.00 C ATOM 270 ND1 HIS A 19 4.408 14.609 6.192 1.00 0.00 N ATOM 271 CD2 HIS A 19 3.711 13.924 4.202 1.00 0.00 C ATOM 272 CE1 HIS A 19 3.653 13.510 6.365 1.00 0.00 C ATOM 273 NE2 HIS A 19 3.211 13.055 5.179 1.00 0.00 N ATOM 0 H HIS A 19 3.099 17.239 4.040 1.00 0.00 H new ATOM 0 HA HIS A 19 5.207 17.306 5.896 1.00 0.00 H new ATOM 0 HB2 HIS A 19 4.912 16.066 3.132 1.00 0.00 H new ATOM 0 HB3 HIS A 19 6.277 15.753 4.186 1.00 0.00 H new ATOM 0 HD2 HIS A 19 3.546 13.850 3.137 1.00 0.00 H new ATOM 0 HE1 HIS A 19 3.433 13.057 7.320 1.00 0.00 H new ATOM 0 HE2 HIS A 19 2.625 12.235 5.022 1.00 0.00 H new ATOM 281 N ALA A 20 5.806 18.981 3.097 1.00 0.00 N ATOM 282 CA ALA A 20 6.745 19.916 2.485 1.00 0.00 C ATOM 283 C ALA A 20 6.915 21.207 3.298 1.00 0.00 C ATOM 284 O ALA A 20 8.048 21.658 3.456 1.00 0.00 O ATOM 285 CB ALA A 20 6.328 20.222 1.049 1.00 0.00 C ATOM 0 H ALA A 20 4.949 18.839 2.562 1.00 0.00 H new ATOM 0 HA ALA A 20 7.721 19.430 2.475 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.037 20.921 0.605 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.316 19.299 0.469 1.00 0.00 H new ATOM 0 HB3 ALA A 20 5.332 20.665 1.046 1.00 0.00 H new ATOM 291 N LYS A 21 5.844 21.795 3.851 1.00 0.00 N ATOM 292 CA LYS A 21 5.979 22.944 4.770 1.00 0.00 C ATOM 293 C LYS A 21 6.601 22.564 6.122 1.00 0.00 C ATOM 294 O LYS A 21 7.319 23.373 6.708 1.00 0.00 O ATOM 295 CB LYS A 21 4.642 23.685 4.956 1.00 0.00 C ATOM 296 CG LYS A 21 3.557 22.844 5.649 1.00 0.00 C ATOM 297 CD LYS A 21 2.267 23.611 5.993 1.00 0.00 C ATOM 298 CE LYS A 21 2.307 24.371 7.330 1.00 0.00 C ATOM 299 NZ LYS A 21 3.026 25.670 7.256 1.00 0.00 N ATOM 0 H LYS A 21 4.882 21.500 3.683 1.00 0.00 H new ATOM 0 HA LYS A 21 6.678 23.630 4.292 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.816 24.589 5.540 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.274 24.002 3.980 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.302 22.003 5.004 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.971 22.428 6.567 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.059 24.322 5.193 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.437 22.905 6.017 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.286 24.549 7.667 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.786 23.743 8.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.701 26.291 8.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 4.049 25.507 7.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.832 26.122 6.340 1.00 0.00 H new ATOM 313 N LYS A 22 6.371 21.334 6.605 1.00 0.00 N ATOM 314 CA LYS A 22 6.859 20.838 7.911 1.00 0.00 C ATOM 315 C LYS A 22 8.361 20.536 7.867 1.00 0.00 C ATOM 316 O LYS A 22 9.096 20.879 8.791 1.00 0.00 O ATOM 317 CB LYS A 22 6.028 19.605 8.324 1.00 0.00 C ATOM 318 CG LYS A 22 6.303 19.071 9.740 1.00 0.00 C ATOM 319 CD LYS A 22 5.925 20.074 10.843 1.00 0.00 C ATOM 320 CE LYS A 22 6.085 19.491 12.256 1.00 0.00 C ATOM 321 NZ LYS A 22 5.057 18.461 12.571 1.00 0.00 N ATOM 0 H LYS A 22 5.830 20.638 6.092 1.00 0.00 H new ATOM 0 HA LYS A 22 6.728 21.613 8.666 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.971 19.858 8.248 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.216 18.804 7.609 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.744 18.147 9.889 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.360 18.822 9.830 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.548 20.963 10.749 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.892 20.392 10.701 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.077 19.050 12.353 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.022 20.297 12.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.210 18.101 13.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.110 18.885 12.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.132 17.677 11.892 1.00 0.00 H new ATOM 335 N ASN A 23 8.811 19.956 6.754 1.00 0.00 N ATOM 336 CA ASN A 23 10.221 19.736 6.417 1.00 0.00 C ATOM 337 C ASN A 23 10.913 21.000 5.858 1.00 0.00 C ATOM 338 O ASN A 23 12.124 20.993 5.639 1.00 0.00 O ATOM 339 CB ASN A 23 10.286 18.551 5.432 1.00 0.00 C ATOM 340 CG ASN A 23 11.692 17.994 5.258 1.00 0.00 C ATOM 341 OD1 ASN A 23 12.358 18.191 4.252 1.00 0.00 O ATOM 342 ND2 ASN A 23 12.189 17.262 6.231 1.00 0.00 N ATOM 0 H ASN A 23 8.178 19.612 6.032 1.00 0.00 H new ATOM 0 HA ASN A 23 10.777 19.501 7.325 1.00 0.00 H new ATOM 0 HB2 ASN A 23 9.628 17.757 5.785 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.906 18.872 4.462 1.00 0.00 H new ATOM 0 HD21 ASN A 23 13.124 16.863 6.143 1.00 0.00 H new ATOM 0 HD22 ASN A 23 11.640 17.093 7.074 1.00 0.00 H new ATOM 349 N GLN A 24 10.161 22.091 5.656 1.00 0.00 N ATOM 350 CA GLN A 24 10.602 23.375 5.085 1.00 0.00 C ATOM 351 C GLN A 24 11.168 23.229 3.651 1.00 0.00 C ATOM 352 O GLN A 24 12.008 24.014 3.207 1.00 0.00 O ATOM 353 CB GLN A 24 11.551 24.098 6.064 1.00 0.00 C ATOM 354 CG GLN A 24 10.930 24.338 7.454 1.00 0.00 C ATOM 355 CD GLN A 24 11.996 24.718 8.479 1.00 0.00 C ATOM 356 OE1 GLN A 24 12.324 25.880 8.685 1.00 0.00 O ATOM 357 NE2 GLN A 24 12.582 23.751 9.157 1.00 0.00 N ATOM 0 H GLN A 24 9.171 22.103 5.900 1.00 0.00 H new ATOM 0 HA GLN A 24 9.728 24.014 4.962 1.00 0.00 H new ATOM 0 HB2 GLN A 24 12.461 23.509 6.178 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.843 25.056 5.634 1.00 0.00 H new ATOM 0 HG2 GLN A 24 10.185 25.131 7.390 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.410 23.438 7.783 1.00 0.00 H new ATOM 0 HE21 GLN A 24 12.316 22.780 8.993 1.00 0.00 H new ATOM 0 HE22 GLN A 24 13.301 23.974 9.845 1.00 0.00 H new ATOM 366 N ALA A 25 10.721 22.194 2.931 1.00 0.00 N ATOM 367 CA ALA A 25 11.131 21.848 1.574 1.00 0.00 C ATOM 368 C ALA A 25 10.404 22.686 0.507 1.00 0.00 C ATOM 369 O ALA A 25 11.009 23.085 -0.490 1.00 0.00 O ATOM 370 CB ALA A 25 10.831 20.357 1.381 1.00 0.00 C ATOM 0 H ALA A 25 10.028 21.544 3.302 1.00 0.00 H new ATOM 0 HA ALA A 25 12.193 22.062 1.450 1.00 0.00 H new ATOM 0 HB1 ALA A 25 11.123 20.054 0.375 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.392 19.775 2.113 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.764 20.180 1.518 1.00 0.00 H new ATOM 376 N HIS A 26 9.104 22.940 0.714 1.00 0.00 N ATOM 377 CA HIS A 26 8.183 23.630 -0.210 1.00 0.00 C ATOM 378 C HIS A 26 8.267 23.145 -1.680 1.00 0.00 C ATOM 379 O HIS A 26 8.088 23.926 -2.619 1.00 0.00 O ATOM 380 CB HIS A 26 8.331 25.151 -0.033 1.00 0.00 C ATOM 381 CG HIS A 26 8.069 25.604 1.384 1.00 0.00 C ATOM 382 ND1 HIS A 26 6.832 25.835 1.946 1.00 0.00 N ATOM 383 CD2 HIS A 26 9.013 25.830 2.349 1.00 0.00 C ATOM 384 CE1 HIS A 26 7.025 26.200 3.225 1.00 0.00 C ATOM 385 NE2 HIS A 26 8.338 26.203 3.518 1.00 0.00 N ATOM 0 H HIS A 26 8.639 22.656 1.576 1.00 0.00 H new ATOM 0 HA HIS A 26 7.164 23.356 0.063 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.338 25.450 -0.325 1.00 0.00 H new ATOM 0 HB3 HIS A 26 7.640 25.659 -0.706 1.00 0.00 H new ATOM 0 HD2 HIS A 26 10.083 25.738 2.231 1.00 0.00 H new ATOM 0 HE1 HIS A 26 6.238 26.455 3.919 1.00 0.00 H new ATOM 0 HE2 HIS A 26 8.760 26.433 4.418 1.00 0.00 H new ATOM 393 N LYS A 27 8.569 21.852 -1.876 1.00 0.00 N ATOM 394 CA LYS A 27 8.641 21.098 -3.144 1.00 0.00 C ATOM 395 C LYS A 27 8.767 19.595 -2.857 1.00 0.00 C ATOM 396 O LYS A 27 9.052 19.202 -1.725 1.00 0.00 O ATOM 397 CB LYS A 27 9.839 21.599 -3.983 1.00 0.00 C ATOM 398 CG LYS A 27 9.356 22.360 -5.232 1.00 0.00 C ATOM 399 CD LYS A 27 10.431 23.271 -5.847 1.00 0.00 C ATOM 400 CE LYS A 27 10.901 24.412 -4.927 1.00 0.00 C ATOM 401 NZ LYS A 27 9.787 25.300 -4.497 1.00 0.00 N ATOM 0 H LYS A 27 8.789 21.251 -1.082 1.00 0.00 H new ATOM 0 HA LYS A 27 7.726 21.261 -3.713 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.466 22.251 -3.375 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.456 20.753 -4.284 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.028 21.640 -5.982 1.00 0.00 H new ATOM 0 HG3 LYS A 27 8.487 22.963 -4.967 1.00 0.00 H new ATOM 0 HD2 LYS A 27 11.293 22.662 -6.120 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.041 23.702 -6.769 1.00 0.00 H new ATOM 0 HE2 LYS A 27 11.382 23.988 -4.046 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.653 25.006 -5.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 10.177 26.149 -4.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.227 25.581 -5.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.178 24.792 -3.824 1.00 0.00 H new ATOM 415 N ILE A 28 8.583 18.771 -3.887 1.00 0.00 N ATOM 416 CA ILE A 28 8.674 17.301 -3.862 1.00 0.00 C ATOM 417 C ILE A 28 9.654 16.837 -4.962 1.00 0.00 C ATOM 418 O ILE A 28 10.040 17.610 -5.839 1.00 0.00 O ATOM 419 CB ILE A 28 7.260 16.672 -4.039 1.00 0.00 C ATOM 420 CG1 ILE A 28 6.134 17.328 -3.195 1.00 0.00 C ATOM 421 CG2 ILE A 28 7.242 15.152 -3.771 1.00 0.00 C ATOM 422 CD1 ILE A 28 6.223 17.105 -1.681 1.00 0.00 C ATOM 0 H ILE A 28 8.353 19.125 -4.816 1.00 0.00 H new ATOM 0 HA ILE A 28 9.057 16.965 -2.898 1.00 0.00 H new ATOM 0 HB ILE A 28 7.044 16.872 -5.089 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.140 18.401 -3.387 1.00 0.00 H new ATOM 0 HG13 ILE A 28 5.174 16.947 -3.544 1.00 0.00 H new ATOM 0 HG21 ILE A 28 6.231 14.770 -3.910 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.917 14.652 -4.466 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.566 14.959 -2.748 1.00 0.00 H new ATOM 0 HD11 ILE A 28 5.389 17.606 -1.190 1.00 0.00 H new ATOM 0 HD12 ILE A 28 6.182 16.037 -1.468 1.00 0.00 H new ATOM 0 HD13 ILE A 28 7.162 17.514 -1.308 1.00 0.00 H new ATOM 434 N GLU A 29 10.057 15.567 -4.935 1.00 0.00 N ATOM 435 CA GLU A 29 10.718 14.861 -6.040 1.00 0.00 C ATOM 436 C GLU A 29 9.902 13.636 -6.494 1.00 0.00 C ATOM 437 O GLU A 29 9.551 13.547 -7.674 1.00 0.00 O ATOM 438 CB GLU A 29 12.158 14.494 -5.637 1.00 0.00 C ATOM 439 CG GLU A 29 12.941 13.722 -6.712 1.00 0.00 C ATOM 440 CD GLU A 29 13.076 14.462 -8.062 1.00 0.00 C ATOM 441 OE1 GLU A 29 13.178 15.712 -8.085 1.00 0.00 O ATOM 442 OE2 GLU A 29 13.111 13.784 -9.118 1.00 0.00 O ATOM 0 H GLU A 29 9.929 14.977 -4.113 1.00 0.00 H new ATOM 0 HA GLU A 29 10.772 15.524 -6.903 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.700 15.409 -5.397 1.00 0.00 H new ATOM 0 HB3 GLU A 29 12.126 13.895 -4.727 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.938 13.504 -6.330 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.449 12.765 -6.884 1.00 0.00 H new ATOM 449 N ARG A 30 9.593 12.689 -5.589 1.00 0.00 N ATOM 450 CA ARG A 30 9.033 11.370 -5.950 1.00 0.00 C ATOM 451 C ARG A 30 8.178 10.789 -4.819 1.00 0.00 C ATOM 452 O ARG A 30 8.702 10.533 -3.737 1.00 0.00 O ATOM 453 CB ARG A 30 10.210 10.435 -6.305 1.00 0.00 C ATOM 454 CG ARG A 30 9.821 9.161 -7.064 1.00 0.00 C ATOM 455 CD ARG A 30 9.333 9.452 -8.493 1.00 0.00 C ATOM 456 NE ARG A 30 9.345 8.234 -9.323 1.00 0.00 N ATOM 457 CZ ARG A 30 10.297 7.806 -10.132 1.00 0.00 C ATOM 458 NH1 ARG A 30 11.331 8.536 -10.445 1.00 0.00 N ATOM 459 NH2 ARG A 30 10.234 6.610 -10.638 1.00 0.00 N ATOM 0 H ARG A 30 9.724 12.815 -4.585 1.00 0.00 H new ATOM 0 HA ARG A 30 8.369 11.475 -6.808 1.00 0.00 H new ATOM 0 HB2 ARG A 30 10.928 10.993 -6.906 1.00 0.00 H new ATOM 0 HB3 ARG A 30 10.718 10.150 -5.384 1.00 0.00 H new ATOM 0 HG2 ARG A 30 10.680 8.491 -7.106 1.00 0.00 H new ATOM 0 HG3 ARG A 30 9.037 8.640 -6.515 1.00 0.00 H new ATOM 0 HD2 ARG A 30 8.323 9.861 -8.458 1.00 0.00 H new ATOM 0 HD3 ARG A 30 9.969 10.211 -8.949 1.00 0.00 H new ATOM 0 HE ARG A 30 8.513 7.647 -9.265 1.00 0.00 H new ATOM 0 HH11 ARG A 30 11.427 9.476 -10.061 1.00 0.00 H new ATOM 0 HH12 ARG A 30 12.044 8.167 -11.074 1.00 0.00 H new ATOM 0 HH21 ARG A 30 9.448 6.001 -10.410 1.00 0.00 H new ATOM 0 HH22 ARG A 30 10.970 6.281 -11.263 1.00 0.00 H new ATOM 473 N VAL A 31 6.877 10.594 -5.045 1.00 0.00 N ATOM 474 CA VAL A 31 5.913 10.077 -4.050 1.00 0.00 C ATOM 475 C VAL A 31 5.722 8.564 -4.222 1.00 0.00 C ATOM 476 O VAL A 31 5.149 8.090 -5.201 1.00 0.00 O ATOM 477 CB VAL A 31 4.589 10.882 -4.015 1.00 0.00 C ATOM 478 CG1 VAL A 31 4.884 12.378 -3.862 1.00 0.00 C ATOM 479 CG2 VAL A 31 3.663 10.746 -5.226 1.00 0.00 C ATOM 0 H VAL A 31 6.445 10.794 -5.947 1.00 0.00 H new ATOM 0 HA VAL A 31 6.338 10.229 -3.058 1.00 0.00 H new ATOM 0 HB VAL A 31 4.064 10.444 -3.166 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.946 12.933 -3.839 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.430 12.548 -2.934 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.486 12.718 -4.705 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.774 11.359 -5.075 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.185 11.079 -6.123 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.369 9.703 -5.344 1.00 0.00 H new ATOM 489 N VAL A 32 6.292 7.784 -3.304 1.00 0.00 N ATOM 490 CA VAL A 32 6.316 6.314 -3.323 1.00 0.00 C ATOM 491 C VAL A 32 5.037 5.761 -2.690 1.00 0.00 C ATOM 492 O VAL A 32 4.730 6.062 -1.534 1.00 0.00 O ATOM 493 CB VAL A 32 7.561 5.769 -2.594 1.00 0.00 C ATOM 494 CG1 VAL A 32 7.723 4.267 -2.853 1.00 0.00 C ATOM 495 CG2 VAL A 32 8.860 6.457 -3.046 1.00 0.00 C ATOM 0 H VAL A 32 6.771 8.171 -2.491 1.00 0.00 H new ATOM 0 HA VAL A 32 6.368 5.985 -4.361 1.00 0.00 H new ATOM 0 HB VAL A 32 7.399 5.972 -1.535 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.607 3.901 -2.330 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.842 3.738 -2.490 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.836 4.092 -3.923 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.704 6.035 -2.501 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.003 6.299 -4.115 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.795 7.526 -2.843 1.00 0.00 H new ATOM 505 N VAL A 33 4.282 4.955 -3.441 1.00 0.00 N ATOM 506 CA VAL A 33 2.961 4.427 -3.050 1.00 0.00 C ATOM 507 C VAL A 33 2.891 2.920 -3.300 1.00 0.00 C ATOM 508 O VAL A 33 3.193 2.456 -4.395 1.00 0.00 O ATOM 509 CB VAL A 33 1.827 5.171 -3.794 1.00 0.00 C ATOM 510 CG1 VAL A 33 0.440 4.655 -3.391 1.00 0.00 C ATOM 511 CG2 VAL A 33 1.856 6.680 -3.498 1.00 0.00 C ATOM 0 H VAL A 33 4.576 4.639 -4.365 1.00 0.00 H new ATOM 0 HA VAL A 33 2.824 4.599 -1.982 1.00 0.00 H new ATOM 0 HB VAL A 33 2.000 4.986 -4.854 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.326 5.205 -3.938 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.363 3.594 -3.628 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.295 4.799 -2.320 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.046 7.172 -4.037 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.732 6.843 -2.427 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.811 7.096 -3.820 1.00 0.00 H new ATOM 521 N GLY A 34 2.491 2.150 -2.289 1.00 0.00 N ATOM 522 CA GLY A 34 2.334 0.698 -2.354 1.00 0.00 C ATOM 523 C GLY A 34 0.908 0.299 -2.736 1.00 0.00 C ATOM 524 O GLY A 34 -0.053 0.717 -2.085 1.00 0.00 O ATOM 0 H GLY A 34 2.260 2.532 -1.372 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.034 0.289 -3.083 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.588 0.261 -1.388 1.00 0.00 H new ATOM 528 N ILE A 35 0.767 -0.510 -3.788 1.00 0.00 N ATOM 529 CA ILE A 35 -0.505 -1.080 -4.254 1.00 0.00 C ATOM 530 C ILE A 35 -0.392 -2.605 -4.251 1.00 0.00 C ATOM 531 O ILE A 35 0.436 -3.182 -4.959 1.00 0.00 O ATOM 532 CB ILE A 35 -0.926 -0.526 -5.637 1.00 0.00 C ATOM 533 CG1 ILE A 35 -0.981 1.018 -5.595 1.00 0.00 C ATOM 534 CG2 ILE A 35 -2.286 -1.128 -6.048 1.00 0.00 C ATOM 535 CD1 ILE A 35 -1.644 1.679 -6.806 1.00 0.00 C ATOM 0 H ILE A 35 1.561 -0.798 -4.360 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.299 -0.781 -3.570 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.188 -0.813 -6.386 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.517 1.322 -4.696 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.036 1.400 -5.504 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.578 -0.735 -7.022 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.201 -2.213 -6.105 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.041 -0.861 -5.308 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.633 2.762 -6.681 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.097 1.413 -7.711 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.675 1.334 -6.890 1.00 0.00 H new ATOM 547 N GLY A 36 -1.222 -3.256 -3.435 1.00 0.00 N ATOM 548 CA GLY A 36 -1.300 -4.718 -3.359 1.00 0.00 C ATOM 549 C GLY A 36 -1.779 -5.326 -4.680 1.00 0.00 C ATOM 550 O GLY A 36 -2.689 -4.796 -5.313 1.00 0.00 O ATOM 0 H GLY A 36 -1.865 -2.780 -2.802 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.320 -5.123 -3.106 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.980 -5.006 -2.557 1.00 0.00 H new ATOM 554 N GLU A 37 -1.222 -6.464 -5.100 1.00 0.00 N ATOM 555 CA GLU A 37 -1.562 -7.094 -6.386 1.00 0.00 C ATOM 556 C GLU A 37 -2.991 -7.678 -6.420 1.00 0.00 C ATOM 557 O GLU A 37 -3.492 -8.051 -7.485 1.00 0.00 O ATOM 558 CB GLU A 37 -0.501 -8.132 -6.798 1.00 0.00 C ATOM 559 CG GLU A 37 -0.375 -9.347 -5.868 1.00 0.00 C ATOM 560 CD GLU A 37 0.514 -10.452 -6.480 1.00 0.00 C ATOM 561 OE1 GLU A 37 1.566 -10.146 -7.095 1.00 0.00 O ATOM 562 OE2 GLU A 37 0.180 -11.651 -6.330 1.00 0.00 O ATOM 0 H GLU A 37 -0.523 -6.977 -4.562 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.555 -6.298 -7.131 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.734 -8.487 -7.802 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.468 -7.635 -6.852 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.045 -9.031 -4.913 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.366 -9.751 -5.662 1.00 0.00 H new ATOM 569 N ARG A 38 -3.668 -7.717 -5.261 1.00 0.00 N ATOM 570 CA ARG A 38 -5.083 -8.072 -5.082 1.00 0.00 C ATOM 571 C ARG A 38 -6.007 -6.866 -4.839 1.00 0.00 C ATOM 572 O ARG A 38 -7.187 -7.056 -4.542 1.00 0.00 O ATOM 573 CB ARG A 38 -5.220 -9.135 -3.973 1.00 0.00 C ATOM 574 CG ARG A 38 -4.462 -10.452 -4.241 1.00 0.00 C ATOM 575 CD ARG A 38 -4.801 -11.120 -5.581 1.00 0.00 C ATOM 576 NE ARG A 38 -6.244 -11.417 -5.704 1.00 0.00 N ATOM 577 CZ ARG A 38 -6.951 -11.525 -6.815 1.00 0.00 C ATOM 578 NH1 ARG A 38 -6.415 -11.390 -7.996 1.00 0.00 N ATOM 579 NH2 ARG A 38 -8.228 -11.772 -6.761 1.00 0.00 N ATOM 0 H ARG A 38 -3.217 -7.489 -4.375 1.00 0.00 H new ATOM 0 HA ARG A 38 -5.425 -8.493 -6.027 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -4.861 -8.710 -3.036 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -6.277 -9.362 -3.836 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -3.391 -10.253 -4.209 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.680 -11.152 -3.435 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -4.494 -10.468 -6.399 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.231 -12.044 -5.680 1.00 0.00 H new ATOM 0 HE ARG A 38 -6.752 -11.554 -4.830 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -5.418 -11.194 -8.084 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -6.993 -11.480 -8.832 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -8.688 -11.883 -5.858 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -8.768 -11.854 -7.622 1.00 0.00 H new ATOM 593 N SER A 39 -5.512 -5.630 -4.980 1.00 0.00 N ATOM 594 CA SER A 39 -6.324 -4.400 -4.832 1.00 0.00 C ATOM 595 C SER A 39 -7.479 -4.294 -5.840 1.00 0.00 C ATOM 596 O SER A 39 -8.488 -3.645 -5.558 1.00 0.00 O ATOM 597 CB SER A 39 -5.448 -3.149 -4.985 1.00 0.00 C ATOM 598 OG SER A 39 -5.096 -2.964 -6.349 1.00 0.00 O ATOM 0 H SER A 39 -4.533 -5.447 -5.201 1.00 0.00 H new ATOM 0 HA SER A 39 -6.753 -4.463 -3.832 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.983 -2.273 -4.617 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.547 -3.250 -4.379 1.00 0.00 H new ATOM 0 HG SER A 39 -4.826 -2.033 -6.494 1.00 0.00 H new ATOM 604 N ALA A 40 -7.326 -4.924 -7.015 1.00 0.00 N ATOM 605 CA ALA A 40 -8.191 -4.821 -8.194 1.00 0.00 C ATOM 606 C ALA A 40 -8.365 -3.382 -8.749 1.00 0.00 C ATOM 607 O ALA A 40 -9.306 -3.122 -9.506 1.00 0.00 O ATOM 608 CB ALA A 40 -9.508 -5.560 -7.913 1.00 0.00 C ATOM 0 H ALA A 40 -6.544 -5.559 -7.174 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.690 -5.317 -9.025 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -10.158 -5.489 -8.785 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.299 -6.609 -7.701 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -10.003 -5.108 -7.053 1.00 0.00 H new ATOM 614 N MET A 41 -7.469 -2.448 -8.397 1.00 0.00 N ATOM 615 CA MET A 41 -7.480 -1.051 -8.868 1.00 0.00 C ATOM 616 C MET A 41 -6.418 -0.787 -9.948 1.00 0.00 C ATOM 617 O MET A 41 -5.331 -1.370 -9.941 1.00 0.00 O ATOM 618 CB MET A 41 -7.294 -0.088 -7.684 1.00 0.00 C ATOM 619 CG MET A 41 -8.463 -0.205 -6.700 1.00 0.00 C ATOM 620 SD MET A 41 -8.571 1.100 -5.447 1.00 0.00 S ATOM 621 CE MET A 41 -7.324 0.505 -4.279 1.00 0.00 C ATOM 0 H MET A 41 -6.697 -2.646 -7.761 1.00 0.00 H new ATOM 0 HA MET A 41 -8.452 -0.874 -9.328 1.00 0.00 H new ATOM 0 HB2 MET A 41 -6.358 -0.310 -7.172 1.00 0.00 H new ATOM 0 HB3 MET A 41 -7.222 0.936 -8.050 1.00 0.00 H new ATOM 0 HG2 MET A 41 -9.393 -0.215 -7.269 1.00 0.00 H new ATOM 0 HG3 MET A 41 -8.391 -1.166 -6.191 1.00 0.00 H new ATOM 0 HE1 MET A 41 -7.426 1.040 -3.335 1.00 0.00 H new ATOM 0 HE2 MET A 41 -7.465 -0.562 -4.109 1.00 0.00 H new ATOM 0 HE3 MET A 41 -6.329 0.679 -4.689 1.00 0.00 H new ATOM 631 N ASP A 42 -6.726 0.120 -10.878 1.00 0.00 N ATOM 632 CA ASP A 42 -5.839 0.529 -11.972 1.00 0.00 C ATOM 633 C ASP A 42 -4.819 1.585 -11.512 1.00 0.00 C ATOM 634 O ASP A 42 -5.175 2.727 -11.205 1.00 0.00 O ATOM 635 CB ASP A 42 -6.672 1.057 -13.151 1.00 0.00 C ATOM 636 CG ASP A 42 -7.417 -0.075 -13.878 1.00 0.00 C ATOM 637 OD1 ASP A 42 -6.761 -0.845 -14.622 1.00 0.00 O ATOM 638 OD2 ASP A 42 -8.655 -0.193 -13.721 1.00 0.00 O ATOM 0 H ASP A 42 -7.624 0.604 -10.892 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.275 -0.346 -12.296 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -7.392 1.791 -12.788 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -6.019 1.573 -13.855 1.00 0.00 H new ATOM 643 N LYS A 43 -3.527 1.232 -11.509 1.00 0.00 N ATOM 644 CA LYS A 43 -2.413 2.154 -11.224 1.00 0.00 C ATOM 645 C LYS A 43 -2.403 3.398 -12.126 1.00 0.00 C ATOM 646 O LYS A 43 -2.120 4.500 -11.655 1.00 0.00 O ATOM 647 CB LYS A 43 -1.091 1.370 -11.287 1.00 0.00 C ATOM 648 CG LYS A 43 -0.799 0.708 -12.644 1.00 0.00 C ATOM 649 CD LYS A 43 0.579 0.038 -12.684 1.00 0.00 C ATOM 650 CE LYS A 43 0.753 -1.020 -11.587 1.00 0.00 C ATOM 651 NZ LYS A 43 2.026 -1.765 -11.742 1.00 0.00 N ATOM 0 H LYS A 43 -3.218 0.281 -11.708 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.548 2.553 -10.219 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.272 2.047 -11.045 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.105 0.598 -10.517 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.568 -0.036 -12.855 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.857 1.459 -13.432 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.724 -0.428 -13.659 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.352 0.799 -12.576 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.730 -0.538 -10.610 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.084 -1.718 -11.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.034 -2.578 -11.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.113 -2.103 -12.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.825 -1.137 -11.520 1.00 0.00 H new ATOM 665 N SER A 44 -2.772 3.228 -13.400 1.00 0.00 N ATOM 666 CA SER A 44 -2.905 4.301 -14.396 1.00 0.00 C ATOM 667 C SER A 44 -3.982 5.314 -13.989 1.00 0.00 C ATOM 668 O SER A 44 -3.746 6.521 -14.030 1.00 0.00 O ATOM 669 CB SER A 44 -3.213 3.694 -15.773 1.00 0.00 C ATOM 670 OG SER A 44 -3.112 4.667 -16.800 1.00 0.00 O ATOM 0 H SER A 44 -2.994 2.308 -13.781 1.00 0.00 H new ATOM 0 HA SER A 44 -1.960 4.841 -14.450 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.521 2.876 -15.975 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.217 3.269 -15.769 1.00 0.00 H new ATOM 0 HG SER A 44 -3.312 4.252 -17.665 1.00 0.00 H new ATOM 676 N LEU A 45 -5.147 4.834 -13.534 1.00 0.00 N ATOM 677 CA LEU A 45 -6.216 5.675 -12.993 1.00 0.00 C ATOM 678 C LEU A 45 -5.744 6.446 -11.750 1.00 0.00 C ATOM 679 O LEU A 45 -5.961 7.653 -11.680 1.00 0.00 O ATOM 680 CB LEU A 45 -7.460 4.812 -12.710 1.00 0.00 C ATOM 681 CG LEU A 45 -8.670 5.577 -12.141 1.00 0.00 C ATOM 682 CD1 LEU A 45 -9.168 6.680 -13.077 1.00 0.00 C ATOM 683 CD2 LEU A 45 -9.820 4.599 -11.898 1.00 0.00 C ATOM 0 H LEU A 45 -5.373 3.839 -13.532 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.489 6.427 -13.733 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -7.762 4.323 -13.636 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.185 4.025 -12.008 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.340 6.045 -11.214 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -10.021 7.184 -12.623 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.369 7.401 -13.247 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.469 6.241 -14.028 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -10.677 5.138 -11.495 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -10.099 4.125 -12.839 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -9.505 3.836 -11.186 1.00 0.00 H new ATOM 695 N PHE A 46 -5.073 5.785 -10.797 1.00 0.00 N ATOM 696 CA PHE A 46 -4.570 6.451 -9.591 1.00 0.00 C ATOM 697 C PHE A 46 -3.583 7.587 -9.896 1.00 0.00 C ATOM 698 O PHE A 46 -3.803 8.716 -9.449 1.00 0.00 O ATOM 699 CB PHE A 46 -3.955 5.453 -8.601 1.00 0.00 C ATOM 700 CG PHE A 46 -3.450 6.158 -7.353 1.00 0.00 C ATOM 701 CD1 PHE A 46 -4.369 6.771 -6.477 1.00 0.00 C ATOM 702 CD2 PHE A 46 -2.068 6.293 -7.115 1.00 0.00 C ATOM 703 CE1 PHE A 46 -3.911 7.501 -5.366 1.00 0.00 C ATOM 704 CE2 PHE A 46 -1.614 7.017 -5.996 1.00 0.00 C ATOM 705 CZ PHE A 46 -2.534 7.620 -5.122 1.00 0.00 C ATOM 0 H PHE A 46 -4.866 4.787 -10.840 1.00 0.00 H new ATOM 0 HA PHE A 46 -5.443 6.905 -9.123 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -4.699 4.706 -8.324 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.133 4.922 -9.080 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.429 6.679 -6.660 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.357 5.841 -7.791 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.620 7.971 -4.700 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.554 7.109 -5.809 1.00 0.00 H new ATOM 0 HZ PHE A 46 -2.182 8.174 -4.264 1.00 0.00 H new ATOM 715 N VAL A 47 -2.514 7.334 -10.669 1.00 0.00 N ATOM 716 CA VAL A 47 -1.581 8.417 -11.037 1.00 0.00 C ATOM 717 C VAL A 47 -2.262 9.524 -11.812 1.00 0.00 C ATOM 718 O VAL A 47 -2.072 10.694 -11.498 1.00 0.00 O ATOM 719 CB VAL A 47 -0.349 7.921 -11.795 1.00 0.00 C ATOM 720 CG1 VAL A 47 -0.556 7.308 -13.177 1.00 0.00 C ATOM 721 CG2 VAL A 47 0.709 9.021 -11.935 1.00 0.00 C ATOM 0 H VAL A 47 -2.276 6.416 -11.044 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.235 8.826 -10.088 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.028 7.101 -11.153 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.407 7.004 -13.588 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.207 6.437 -13.095 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.016 8.044 -13.836 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.569 8.631 -12.479 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.287 9.865 -12.481 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.024 9.351 -10.945 1.00 0.00 H new ATOM 731 N SER A 48 -3.103 9.172 -12.782 1.00 0.00 N ATOM 732 CA SER A 48 -3.823 10.168 -13.565 1.00 0.00 C ATOM 733 C SER A 48 -4.722 11.041 -12.675 1.00 0.00 C ATOM 734 O SER A 48 -4.825 12.245 -12.897 1.00 0.00 O ATOM 735 CB SER A 48 -4.615 9.469 -14.670 1.00 0.00 C ATOM 736 OG SER A 48 -5.141 10.395 -15.609 1.00 0.00 O ATOM 0 H SER A 48 -3.301 8.206 -13.043 1.00 0.00 H new ATOM 0 HA SER A 48 -3.105 10.844 -14.029 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.970 8.757 -15.184 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.431 8.898 -14.227 1.00 0.00 H new ATOM 0 HG SER A 48 -5.639 9.912 -16.301 1.00 0.00 H new ATOM 742 N ALA A 49 -5.303 10.467 -11.614 1.00 0.00 N ATOM 743 CA ALA A 49 -6.094 11.201 -10.624 1.00 0.00 C ATOM 744 C ALA A 49 -5.219 12.165 -9.796 1.00 0.00 C ATOM 745 O ALA A 49 -5.576 13.334 -9.637 1.00 0.00 O ATOM 746 CB ALA A 49 -6.870 10.212 -9.740 1.00 0.00 C ATOM 0 H ALA A 49 -5.235 9.468 -11.419 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.818 11.826 -11.148 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.457 10.764 -9.005 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.536 9.614 -10.362 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.168 9.556 -9.225 1.00 0.00 H new ATOM 752 N PHE A 50 -4.058 11.707 -9.308 1.00 0.00 N ATOM 753 CA PHE A 50 -3.070 12.560 -8.634 1.00 0.00 C ATOM 754 C PHE A 50 -2.621 13.732 -9.526 1.00 0.00 C ATOM 755 O PHE A 50 -2.645 14.883 -9.095 1.00 0.00 O ATOM 756 CB PHE A 50 -1.886 11.698 -8.164 1.00 0.00 C ATOM 757 CG PHE A 50 -0.723 12.473 -7.566 1.00 0.00 C ATOM 758 CD1 PHE A 50 -0.736 12.855 -6.211 1.00 0.00 C ATOM 759 CD2 PHE A 50 0.387 12.805 -8.369 1.00 0.00 C ATOM 760 CE1 PHE A 50 0.360 13.544 -5.658 1.00 0.00 C ATOM 761 CE2 PHE A 50 1.477 13.503 -7.821 1.00 0.00 C ATOM 762 CZ PHE A 50 1.468 13.866 -6.462 1.00 0.00 C ATOM 0 H PHE A 50 -3.777 10.729 -9.370 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.535 13.014 -7.759 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.247 10.985 -7.423 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.519 11.119 -9.011 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.590 12.619 -5.594 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.400 12.521 -9.411 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.350 13.826 -4.615 1.00 0.00 H new ATOM 0 HE2 PHE A 50 2.321 13.761 -8.443 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.311 14.391 -6.037 1.00 0.00 H new ATOM 772 N GLU A 51 -2.268 13.469 -10.788 1.00 0.00 N ATOM 773 CA GLU A 51 -1.859 14.494 -11.759 1.00 0.00 C ATOM 774 C GLU A 51 -2.978 15.490 -12.105 1.00 0.00 C ATOM 775 O GLU A 51 -2.706 16.666 -12.342 1.00 0.00 O ATOM 776 CB GLU A 51 -1.351 13.841 -13.054 1.00 0.00 C ATOM 777 CG GLU A 51 -0.090 12.989 -12.863 1.00 0.00 C ATOM 778 CD GLU A 51 1.195 13.774 -12.524 1.00 0.00 C ATOM 779 OE1 GLU A 51 1.190 15.031 -12.545 1.00 0.00 O ATOM 780 OE2 GLU A 51 2.231 13.123 -12.256 1.00 0.00 O ATOM 0 H GLU A 51 -2.258 12.524 -11.172 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.059 15.056 -11.277 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.141 13.216 -13.469 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.144 14.621 -13.787 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.276 12.269 -12.066 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.084 12.418 -13.775 1.00 0.00 H new ATOM 787 N THR A 52 -4.243 15.060 -12.096 1.00 0.00 N ATOM 788 CA THR A 52 -5.410 15.961 -12.172 1.00 0.00 C ATOM 789 C THR A 52 -5.493 16.878 -10.942 1.00 0.00 C ATOM 790 O THR A 52 -5.541 18.101 -11.085 1.00 0.00 O ATOM 791 CB THR A 52 -6.720 15.171 -12.363 1.00 0.00 C ATOM 792 OG1 THR A 52 -6.743 14.568 -13.642 1.00 0.00 O ATOM 793 CG2 THR A 52 -7.980 16.033 -12.279 1.00 0.00 C ATOM 0 H THR A 52 -4.494 14.073 -12.036 1.00 0.00 H new ATOM 0 HA THR A 52 -5.274 16.594 -13.049 1.00 0.00 H new ATOM 0 HB THR A 52 -6.730 14.444 -11.551 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.172 13.771 -13.638 1.00 0.00 H new ATOM 0 HG21 THR A 52 -8.860 15.406 -12.423 1.00 0.00 H new ATOM 0 HG22 THR A 52 -8.030 16.509 -11.300 1.00 0.00 H new ATOM 0 HG23 THR A 52 -7.949 16.799 -13.054 1.00 0.00 H new ATOM 801 N PHE A 53 -5.508 16.317 -9.727 1.00 0.00 N ATOM 802 CA PHE A 53 -5.698 17.072 -8.480 1.00 0.00 C ATOM 803 C PHE A 53 -4.468 17.870 -7.996 1.00 0.00 C ATOM 804 O PHE A 53 -4.610 18.678 -7.075 1.00 0.00 O ATOM 805 CB PHE A 53 -6.230 16.137 -7.379 1.00 0.00 C ATOM 806 CG PHE A 53 -7.734 15.928 -7.428 1.00 0.00 C ATOM 807 CD1 PHE A 53 -8.592 16.964 -7.008 1.00 0.00 C ATOM 808 CD2 PHE A 53 -8.283 14.713 -7.877 1.00 0.00 C ATOM 809 CE1 PHE A 53 -9.988 16.793 -7.053 1.00 0.00 C ATOM 810 CE2 PHE A 53 -9.677 14.544 -7.930 1.00 0.00 C ATOM 811 CZ PHE A 53 -10.530 15.582 -7.519 1.00 0.00 C ATOM 0 H PHE A 53 -5.387 15.315 -9.579 1.00 0.00 H new ATOM 0 HA PHE A 53 -6.436 17.841 -8.710 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -5.735 15.170 -7.466 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -5.961 16.547 -6.406 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -8.176 17.894 -6.650 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.631 13.908 -8.182 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -10.642 17.590 -6.730 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -10.094 13.614 -8.288 1.00 0.00 H new ATOM 0 HZ PHE A 53 -11.601 15.450 -7.561 1.00 0.00 H new ATOM 821 N ARG A 54 -3.283 17.716 -8.614 1.00 0.00 N ATOM 822 CA ARG A 54 -2.036 18.406 -8.218 1.00 0.00 C ATOM 823 C ARG A 54 -2.175 19.929 -8.134 1.00 0.00 C ATOM 824 O ARG A 54 -1.556 20.558 -7.286 1.00 0.00 O ATOM 825 CB ARG A 54 -0.879 17.988 -9.148 1.00 0.00 C ATOM 826 CG ARG A 54 -0.920 18.676 -10.520 1.00 0.00 C ATOM 827 CD ARG A 54 0.058 18.067 -11.527 1.00 0.00 C ATOM 828 NE ARG A 54 -0.085 18.738 -12.830 1.00 0.00 N ATOM 829 CZ ARG A 54 0.396 18.354 -14.000 1.00 0.00 C ATOM 830 NH1 ARG A 54 1.056 17.245 -14.164 1.00 0.00 N ATOM 831 NH2 ARG A 54 0.216 19.097 -15.055 1.00 0.00 N ATOM 0 H ARG A 54 -3.160 17.099 -9.417 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.807 18.086 -7.201 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.069 18.219 -8.662 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.909 16.908 -9.291 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.931 18.613 -10.921 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.692 19.735 -10.396 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.080 18.172 -11.164 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.134 16.999 -11.634 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.621 19.606 -12.830 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.222 16.628 -13.369 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.407 16.992 -15.088 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.296 19.976 -14.979 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.587 18.800 -15.957 1.00 0.00 H new ATOM 845 N GLU A 55 -3.017 20.506 -8.991 1.00 0.00 N ATOM 846 CA GLU A 55 -3.297 21.946 -9.116 1.00 0.00 C ATOM 847 C GLU A 55 -3.716 22.620 -7.801 1.00 0.00 C ATOM 848 O GLU A 55 -3.447 23.801 -7.585 1.00 0.00 O ATOM 849 CB GLU A 55 -4.416 22.143 -10.143 1.00 0.00 C ATOM 850 CG GLU A 55 -3.973 21.811 -11.569 1.00 0.00 C ATOM 851 CD GLU A 55 -3.299 23.016 -12.255 1.00 0.00 C ATOM 852 OE1 GLU A 55 -2.164 23.381 -11.862 1.00 0.00 O ATOM 853 OE2 GLU A 55 -3.894 23.604 -13.190 1.00 0.00 O ATOM 0 H GLU A 55 -3.556 19.953 -9.658 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.364 22.417 -9.426 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -5.265 21.514 -9.875 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.761 23.176 -10.105 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.279 20.970 -11.548 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -4.837 21.496 -12.154 1.00 0.00 H new ATOM 860 N GLU A 56 -4.365 21.861 -6.919 1.00 0.00 N ATOM 861 CA GLU A 56 -4.804 22.301 -5.587 1.00 0.00 C ATOM 862 C GLU A 56 -3.644 22.715 -4.643 1.00 0.00 C ATOM 863 O GLU A 56 -3.867 23.486 -3.705 1.00 0.00 O ATOM 864 CB GLU A 56 -5.652 21.172 -4.970 1.00 0.00 C ATOM 865 CG GLU A 56 -6.547 21.587 -3.793 1.00 0.00 C ATOM 866 CD GLU A 56 -7.669 22.551 -4.231 1.00 0.00 C ATOM 867 OE1 GLU A 56 -8.720 22.080 -4.730 1.00 0.00 O ATOM 868 OE2 GLU A 56 -7.518 23.787 -4.072 1.00 0.00 O ATOM 0 H GLU A 56 -4.610 20.890 -7.114 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.393 23.210 -5.709 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.282 20.746 -5.751 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.982 20.380 -4.634 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.988 20.698 -3.342 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.938 22.065 -3.025 1.00 0.00 H new ATOM 875 N SER A 57 -2.407 22.262 -4.900 1.00 0.00 N ATOM 876 CA SER A 57 -1.225 22.484 -4.045 1.00 0.00 C ATOM 877 C SER A 57 0.036 22.803 -4.854 1.00 0.00 C ATOM 878 O SER A 57 0.440 22.047 -5.736 1.00 0.00 O ATOM 879 CB SER A 57 -0.977 21.250 -3.171 1.00 0.00 C ATOM 880 OG SER A 57 -1.934 21.193 -2.124 1.00 0.00 O ATOM 0 H SER A 57 -2.193 21.714 -5.733 1.00 0.00 H new ATOM 0 HA SER A 57 -1.439 23.352 -3.421 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.037 20.347 -3.778 1.00 0.00 H new ATOM 0 HB3 SER A 57 0.029 21.287 -2.753 1.00 0.00 H new ATOM 0 HG SER A 57 -1.768 20.400 -1.572 1.00 0.00 H new ATOM 886 N LEU A 58 0.700 23.919 -4.535 1.00 0.00 N ATOM 887 CA LEU A 58 1.854 24.444 -5.278 1.00 0.00 C ATOM 888 C LEU A 58 2.985 23.406 -5.380 1.00 0.00 C ATOM 889 O LEU A 58 3.520 23.161 -6.460 1.00 0.00 O ATOM 890 CB LEU A 58 2.298 25.760 -4.603 1.00 0.00 C ATOM 891 CG LEU A 58 3.105 26.772 -5.444 1.00 0.00 C ATOM 892 CD1 LEU A 58 4.487 26.276 -5.867 1.00 0.00 C ATOM 893 CD2 LEU A 58 2.350 27.235 -6.694 1.00 0.00 C ATOM 0 H LEU A 58 0.445 24.497 -3.734 1.00 0.00 H new ATOM 0 HA LEU A 58 1.575 24.656 -6.310 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.404 26.266 -4.239 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.896 25.501 -3.729 1.00 0.00 H new ATOM 0 HG LEU A 58 3.243 27.613 -4.764 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.986 27.047 -6.454 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.081 26.053 -4.980 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.381 25.374 -6.469 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.964 27.945 -7.248 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.131 26.375 -7.326 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.417 27.715 -6.399 1.00 0.00 H new ATOM 905 N VAL A 59 3.297 22.735 -4.266 1.00 0.00 N ATOM 906 CA VAL A 59 4.373 21.730 -4.188 1.00 0.00 C ATOM 907 C VAL A 59 4.088 20.475 -5.021 1.00 0.00 C ATOM 908 O VAL A 59 5.015 19.807 -5.475 1.00 0.00 O ATOM 909 CB VAL A 59 4.697 21.337 -2.729 1.00 0.00 C ATOM 910 CG1 VAL A 59 4.859 22.574 -1.838 1.00 0.00 C ATOM 911 CG2 VAL A 59 3.662 20.414 -2.074 1.00 0.00 C ATOM 0 H VAL A 59 2.807 22.873 -3.382 1.00 0.00 H new ATOM 0 HA VAL A 59 5.249 22.215 -4.619 1.00 0.00 H new ATOM 0 HB VAL A 59 5.634 20.785 -2.806 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.086 22.261 -0.819 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.673 23.192 -2.218 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.933 23.150 -1.843 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.969 20.190 -1.053 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.691 20.908 -2.060 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.589 19.487 -2.643 1.00 0.00 H new ATOM 921 N CYS A 60 2.808 20.157 -5.243 1.00 0.00 N ATOM 922 CA CYS A 60 2.356 18.961 -5.953 1.00 0.00 C ATOM 923 C CYS A 60 2.486 19.097 -7.473 1.00 0.00 C ATOM 924 O CYS A 60 2.599 18.094 -8.179 1.00 0.00 O ATOM 925 CB CYS A 60 0.902 18.690 -5.555 1.00 0.00 C ATOM 926 SG CYS A 60 0.889 18.039 -3.862 1.00 0.00 S ATOM 0 H CYS A 60 2.037 20.744 -4.923 1.00 0.00 H new ATOM 0 HA CYS A 60 2.993 18.124 -5.669 1.00 0.00 H new ATOM 0 HB2 CYS A 60 0.315 19.606 -5.614 1.00 0.00 H new ATOM 0 HB3 CYS A 60 0.447 17.975 -6.241 1.00 0.00 H new ATOM 0 HG CYS A 60 0.763 16.746 -3.895 1.00 0.00 H new ATOM 932 N LYS A 61 2.518 20.334 -7.983 1.00 0.00 N ATOM 933 CA LYS A 61 2.736 20.636 -9.407 1.00 0.00 C ATOM 934 C LYS A 61 4.170 20.333 -9.880 1.00 0.00 C ATOM 935 O LYS A 61 4.425 20.296 -11.083 1.00 0.00 O ATOM 936 CB LYS A 61 2.327 22.091 -9.677 1.00 0.00 C ATOM 937 CG LYS A 61 0.796 22.229 -9.588 1.00 0.00 C ATOM 938 CD LYS A 61 0.344 23.633 -9.180 1.00 0.00 C ATOM 939 CE LYS A 61 0.790 24.762 -10.122 1.00 0.00 C ATOM 940 NZ LYS A 61 0.308 24.563 -11.516 1.00 0.00 N ATOM 0 H LYS A 61 2.391 21.168 -7.410 1.00 0.00 H new ATOM 0 HA LYS A 61 2.106 19.971 -9.998 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.803 22.752 -8.953 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.672 22.398 -10.664 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.358 21.979 -10.554 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.413 21.506 -8.867 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.744 23.643 -9.116 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.724 23.844 -8.180 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.418 25.714 -9.745 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.878 24.822 -10.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.329 25.471 -12.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.924 23.880 -12.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.666 24.199 -11.498 1.00 0.00 H new ATOM 954 N ASP A 62 5.080 20.043 -8.946 1.00 0.00 N ATOM 955 CA ASP A 62 6.428 19.510 -9.165 1.00 0.00 C ATOM 956 C ASP A 62 6.627 18.219 -8.341 1.00 0.00 C ATOM 957 O ASP A 62 7.427 18.165 -7.405 1.00 0.00 O ATOM 958 CB ASP A 62 7.479 20.594 -8.863 1.00 0.00 C ATOM 959 CG ASP A 62 7.485 21.708 -9.922 1.00 0.00 C ATOM 960 OD1 ASP A 62 8.029 21.481 -11.030 1.00 0.00 O ATOM 961 OD2 ASP A 62 6.977 22.821 -9.646 1.00 0.00 O ATOM 0 H ASP A 62 4.883 20.183 -7.955 1.00 0.00 H new ATOM 0 HA ASP A 62 6.557 19.234 -10.212 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.280 21.028 -7.883 1.00 0.00 H new ATOM 0 HB3 ASP A 62 8.467 20.136 -8.814 1.00 0.00 H new ATOM 966 N ALA A 63 5.874 17.170 -8.689 1.00 0.00 N ATOM 967 CA ALA A 63 5.955 15.821 -8.117 1.00 0.00 C ATOM 968 C ALA A 63 5.737 14.732 -9.192 1.00 0.00 C ATOM 969 O ALA A 63 5.159 14.998 -10.248 1.00 0.00 O ATOM 970 CB ALA A 63 4.907 15.702 -7.000 1.00 0.00 C ATOM 0 H ALA A 63 5.157 17.242 -9.411 1.00 0.00 H new ATOM 0 HA ALA A 63 6.954 15.665 -7.710 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.953 14.705 -6.563 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.110 16.446 -6.229 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.913 15.871 -7.414 1.00 0.00 H new ATOM 976 N ILE A 64 6.177 13.499 -8.910 1.00 0.00 N ATOM 977 CA ILE A 64 6.050 12.305 -9.771 1.00 0.00 C ATOM 978 C ILE A 64 5.686 11.094 -8.893 1.00 0.00 C ATOM 979 O ILE A 64 6.193 10.979 -7.778 1.00 0.00 O ATOM 980 CB ILE A 64 7.374 12.056 -10.542 1.00 0.00 C ATOM 981 CG1 ILE A 64 7.818 13.297 -11.355 1.00 0.00 C ATOM 982 CG2 ILE A 64 7.242 10.833 -11.472 1.00 0.00 C ATOM 983 CD1 ILE A 64 9.159 13.135 -12.075 1.00 0.00 C ATOM 0 H ILE A 64 6.655 13.292 -8.033 1.00 0.00 H new ATOM 0 HA ILE A 64 5.262 12.461 -10.508 1.00 0.00 H new ATOM 0 HB ILE A 64 8.144 11.857 -9.796 1.00 0.00 H new ATOM 0 HG12 ILE A 64 7.049 13.527 -12.092 1.00 0.00 H new ATOM 0 HG13 ILE A 64 7.881 14.153 -10.683 1.00 0.00 H new ATOM 0 HG21 ILE A 64 8.181 10.676 -12.003 1.00 0.00 H new ATOM 0 HG22 ILE A 64 7.008 9.949 -10.879 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.443 11.008 -12.192 1.00 0.00 H new ATOM 0 HD11 ILE A 64 9.393 14.050 -12.619 1.00 0.00 H new ATOM 0 HD12 ILE A 64 9.943 12.937 -11.344 1.00 0.00 H new ATOM 0 HD13 ILE A 64 9.098 12.302 -12.775 1.00 0.00 H new ATOM 995 N LEU A 65 4.842 10.174 -9.376 1.00 0.00 N ATOM 996 CA LEU A 65 4.496 8.927 -8.680 1.00 0.00 C ATOM 997 C LEU A 65 5.628 7.880 -8.734 1.00 0.00 C ATOM 998 O LEU A 65 6.407 7.819 -9.687 1.00 0.00 O ATOM 999 CB LEU A 65 3.211 8.342 -9.319 1.00 0.00 C ATOM 1000 CG LEU A 65 2.009 8.078 -8.389 1.00 0.00 C ATOM 1001 CD1 LEU A 65 2.360 7.219 -7.177 1.00 0.00 C ATOM 1002 CD2 LEU A 65 1.358 9.373 -7.903 1.00 0.00 C ATOM 0 H LEU A 65 4.372 10.276 -10.276 1.00 0.00 H new ATOM 0 HA LEU A 65 4.336 9.164 -7.628 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.885 9.024 -10.104 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.474 7.402 -9.803 1.00 0.00 H new ATOM 0 HG LEU A 65 1.301 7.525 -9.007 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.470 7.072 -6.565 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.733 6.252 -7.513 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.128 7.719 -6.587 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.517 9.135 -7.252 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.089 9.963 -7.351 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.003 9.946 -8.760 1.00 0.00 H new ATOM 1014 N ASP A 66 5.650 6.967 -7.767 1.00 0.00 N ATOM 1015 CA ASP A 66 6.352 5.681 -7.852 1.00 0.00 C ATOM 1016 C ASP A 66 5.503 4.543 -7.262 1.00 0.00 C ATOM 1017 O ASP A 66 5.533 4.268 -6.060 1.00 0.00 O ATOM 1018 CB ASP A 66 7.751 5.773 -7.225 1.00 0.00 C ATOM 1019 CG ASP A 66 8.665 4.682 -7.797 1.00 0.00 C ATOM 1020 OD1 ASP A 66 8.961 4.755 -9.015 1.00 0.00 O ATOM 1021 OD2 ASP A 66 9.092 3.773 -7.050 1.00 0.00 O ATOM 0 H ASP A 66 5.169 7.101 -6.878 1.00 0.00 H new ATOM 0 HA ASP A 66 6.500 5.438 -8.904 1.00 0.00 H new ATOM 0 HB2 ASP A 66 8.180 6.756 -7.420 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.679 5.666 -6.143 1.00 0.00 H new ATOM 1026 N ILE A 67 4.679 3.922 -8.111 1.00 0.00 N ATOM 1027 CA ILE A 67 3.766 2.835 -7.740 1.00 0.00 C ATOM 1028 C ILE A 67 4.534 1.513 -7.583 1.00 0.00 C ATOM 1029 O ILE A 67 4.932 0.882 -8.566 1.00 0.00 O ATOM 1030 CB ILE A 67 2.598 2.737 -8.745 1.00 0.00 C ATOM 1031 CG1 ILE A 67 1.843 4.088 -8.757 1.00 0.00 C ATOM 1032 CG2 ILE A 67 1.666 1.577 -8.352 1.00 0.00 C ATOM 1033 CD1 ILE A 67 0.679 4.178 -9.737 1.00 0.00 C ATOM 0 H ILE A 67 4.626 4.167 -9.100 1.00 0.00 H new ATOM 0 HA ILE A 67 3.323 3.056 -6.769 1.00 0.00 H new ATOM 0 HB ILE A 67 2.974 2.533 -9.748 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.466 4.283 -7.753 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.554 4.880 -8.990 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.844 1.513 -9.065 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.226 0.642 -8.359 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.267 1.753 -7.353 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.219 5.164 -9.666 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.045 4.021 -10.752 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -0.060 3.414 -9.495 1.00 0.00 H new ATOM 1045 N VAL A 68 4.745 1.098 -6.335 1.00 0.00 N ATOM 1046 CA VAL A 68 5.304 -0.201 -5.937 1.00 0.00 C ATOM 1047 C VAL A 68 4.210 -1.271 -5.971 1.00 0.00 C ATOM 1048 O VAL A 68 3.211 -1.183 -5.257 1.00 0.00 O ATOM 1049 CB VAL A 68 5.940 -0.124 -4.535 1.00 0.00 C ATOM 1050 CG1 VAL A 68 6.498 -1.479 -4.076 1.00 0.00 C ATOM 1051 CG2 VAL A 68 7.103 0.872 -4.537 1.00 0.00 C ATOM 0 H VAL A 68 4.521 1.685 -5.531 1.00 0.00 H new ATOM 0 HA VAL A 68 6.088 -0.471 -6.645 1.00 0.00 H new ATOM 0 HB VAL A 68 5.149 0.190 -3.854 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.936 -1.375 -3.083 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.692 -2.212 -4.042 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.263 -1.814 -4.777 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.544 0.918 -3.541 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.858 0.549 -5.254 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.736 1.859 -4.817 1.00 0.00 H new ATOM 1061 N ASP A 69 4.410 -2.294 -6.799 1.00 0.00 N ATOM 1062 CA ASP A 69 3.615 -3.529 -6.806 1.00 0.00 C ATOM 1063 C ASP A 69 3.937 -4.379 -5.563 1.00 0.00 C ATOM 1064 O ASP A 69 5.045 -4.910 -5.439 1.00 0.00 O ATOM 1065 CB ASP A 69 3.893 -4.332 -8.085 1.00 0.00 C ATOM 1066 CG ASP A 69 3.413 -3.602 -9.344 1.00 0.00 C ATOM 1067 OD1 ASP A 69 2.186 -3.545 -9.589 1.00 0.00 O ATOM 1068 OD2 ASP A 69 4.251 -3.081 -10.116 1.00 0.00 O ATOM 0 H ASP A 69 5.148 -2.291 -7.504 1.00 0.00 H new ATOM 0 HA ASP A 69 2.558 -3.263 -6.782 1.00 0.00 H new ATOM 0 HB2 ASP A 69 4.963 -4.525 -8.165 1.00 0.00 H new ATOM 0 HB3 ASP A 69 3.398 -5.301 -8.018 1.00 0.00 H new ATOM 1073 N GLU A 70 2.996 -4.496 -4.625 1.00 0.00 N ATOM 1074 CA GLU A 70 3.189 -5.224 -3.361 1.00 0.00 C ATOM 1075 C GLU A 70 2.539 -6.615 -3.382 1.00 0.00 C ATOM 1076 O GLU A 70 1.413 -6.795 -3.859 1.00 0.00 O ATOM 1077 CB GLU A 70 2.641 -4.419 -2.174 1.00 0.00 C ATOM 1078 CG GLU A 70 3.389 -3.101 -1.937 1.00 0.00 C ATOM 1079 CD GLU A 70 3.023 -2.519 -0.560 1.00 0.00 C ATOM 1080 OE1 GLU A 70 1.839 -2.171 -0.341 1.00 0.00 O ATOM 1081 OE2 GLU A 70 3.919 -2.419 0.314 1.00 0.00 O ATOM 0 H GLU A 70 2.067 -4.085 -4.718 1.00 0.00 H new ATOM 0 HA GLU A 70 4.264 -5.358 -3.243 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.586 -4.204 -2.346 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.699 -5.029 -1.273 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.464 -3.270 -1.994 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.137 -2.386 -2.720 1.00 0.00 H new ATOM 1088 N LYS A 71 3.232 -7.605 -2.807 1.00 0.00 N ATOM 1089 CA LYS A 71 2.687 -8.944 -2.533 1.00 0.00 C ATOM 1090 C LYS A 71 1.695 -8.927 -1.364 1.00 0.00 C ATOM 1091 O LYS A 71 1.590 -7.947 -0.621 1.00 0.00 O ATOM 1092 CB LYS A 71 3.844 -9.941 -2.299 1.00 0.00 C ATOM 1093 CG LYS A 71 4.735 -10.164 -3.537 1.00 0.00 C ATOM 1094 CD LYS A 71 3.962 -10.789 -4.708 1.00 0.00 C ATOM 1095 CE LYS A 71 4.837 -10.951 -5.954 1.00 0.00 C ATOM 1096 NZ LYS A 71 4.029 -11.463 -7.089 1.00 0.00 N ATOM 0 H LYS A 71 4.203 -7.499 -2.514 1.00 0.00 H new ATOM 0 HA LYS A 71 2.122 -9.274 -3.404 1.00 0.00 H new ATOM 0 HB2 LYS A 71 4.463 -9.578 -1.478 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.428 -10.898 -1.985 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.160 -9.211 -3.853 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.570 -10.812 -3.269 1.00 0.00 H new ATOM 0 HD2 LYS A 71 3.575 -11.763 -4.408 1.00 0.00 H new ATOM 0 HD3 LYS A 71 3.102 -10.165 -4.948 1.00 0.00 H new ATOM 0 HE2 LYS A 71 5.284 -9.993 -6.220 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.657 -11.638 -5.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.473 -11.181 -7.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 3.979 -12.501 -7.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.069 -11.067 -7.038 1.00 0.00 H new ATOM 1110 N VAL A 72 0.968 -10.033 -1.208 1.00 0.00 N ATOM 1111 CA VAL A 72 -0.110 -10.214 -0.220 1.00 0.00 C ATOM 1112 C VAL A 72 0.172 -11.418 0.690 1.00 0.00 C ATOM 1113 O VAL A 72 0.955 -12.300 0.331 1.00 0.00 O ATOM 1114 CB VAL A 72 -1.487 -10.305 -0.913 1.00 0.00 C ATOM 1115 CG1 VAL A 72 -1.685 -9.169 -1.929 1.00 0.00 C ATOM 1116 CG2 VAL A 72 -1.711 -11.631 -1.643 1.00 0.00 C ATOM 0 H VAL A 72 1.114 -10.862 -1.785 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.139 -9.334 0.423 1.00 0.00 H new ATOM 0 HB VAL A 72 -2.212 -10.225 -0.103 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.665 -9.266 -2.397 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.620 -8.208 -1.418 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.911 -9.226 -2.694 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -2.697 -11.629 -2.107 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -0.948 -11.757 -2.411 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.647 -12.454 -0.931 1.00 0.00 H new ATOM 1126 N GLU A 73 -0.448 -11.468 1.869 1.00 0.00 N ATOM 1127 CA GLU A 73 -0.116 -12.444 2.918 1.00 0.00 C ATOM 1128 C GLU A 73 -1.347 -12.889 3.717 1.00 0.00 C ATOM 1129 O GLU A 73 -2.108 -12.063 4.229 1.00 0.00 O ATOM 1130 CB GLU A 73 0.944 -11.830 3.847 1.00 0.00 C ATOM 1131 CG GLU A 73 1.729 -12.883 4.631 1.00 0.00 C ATOM 1132 CD GLU A 73 2.947 -12.234 5.319 1.00 0.00 C ATOM 1133 OE1 GLU A 73 2.783 -11.604 6.390 1.00 0.00 O ATOM 1134 OE2 GLU A 73 4.078 -12.347 4.785 1.00 0.00 O ATOM 0 H GLU A 73 -1.200 -10.830 2.129 1.00 0.00 H new ATOM 0 HA GLU A 73 0.277 -13.341 2.440 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.638 -11.233 3.254 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.457 -11.151 4.547 1.00 0.00 H new ATOM 0 HG2 GLU A 73 1.084 -13.347 5.378 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.060 -13.675 3.960 1.00 0.00 H new ATOM 1141 N LEU A 74 -1.532 -14.208 3.819 1.00 0.00 N ATOM 1142 CA LEU A 74 -2.655 -14.887 4.463 1.00 0.00 C ATOM 1143 C LEU A 74 -2.200 -15.539 5.776 1.00 0.00 C ATOM 1144 O LEU A 74 -1.604 -16.616 5.796 1.00 0.00 O ATOM 1145 CB LEU A 74 -3.270 -15.910 3.487 1.00 0.00 C ATOM 1146 CG LEU A 74 -4.287 -15.376 2.456 1.00 0.00 C ATOM 1147 CD1 LEU A 74 -5.653 -15.133 3.095 1.00 0.00 C ATOM 1148 CD2 LEU A 74 -3.877 -14.081 1.751 1.00 0.00 C ATOM 0 H LEU A 74 -0.859 -14.869 3.430 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.429 -14.162 4.716 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.456 -16.389 2.942 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.760 -16.686 4.075 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.326 -16.166 1.706 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.345 -14.757 2.342 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -6.035 -16.068 3.505 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.555 -14.400 3.895 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.656 -13.788 1.047 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.740 -13.292 2.490 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.943 -14.240 1.213 1.00 0.00 H new ATOM 1160 N GLU A 75 -2.468 -14.852 6.881 1.00 0.00 N ATOM 1161 CA GLU A 75 -2.339 -15.320 8.259 1.00 0.00 C ATOM 1162 C GLU A 75 -3.414 -16.362 8.598 1.00 0.00 C ATOM 1163 O GLU A 75 -4.561 -16.224 8.167 1.00 0.00 O ATOM 1164 CB GLU A 75 -2.546 -14.112 9.198 1.00 0.00 C ATOM 1165 CG GLU A 75 -1.476 -14.031 10.285 1.00 0.00 C ATOM 1166 CD GLU A 75 -1.788 -13.011 11.406 1.00 0.00 C ATOM 1167 OE1 GLU A 75 -2.663 -12.125 11.242 1.00 0.00 O ATOM 1168 OE2 GLU A 75 -1.121 -13.073 12.469 1.00 0.00 O ATOM 0 H GLU A 75 -2.803 -13.890 6.836 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.355 -15.772 8.381 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.535 -13.193 8.612 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.529 -14.181 9.664 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -1.352 -15.018 10.731 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.524 -13.767 9.824 1.00 0.00 H new ATOM 1175 N CYS A 76 -3.102 -17.331 9.462 1.00 0.00 N ATOM 1176 CA CYS A 76 -4.140 -17.992 10.252 1.00 0.00 C ATOM 1177 C CYS A 76 -4.649 -17.068 11.381 1.00 0.00 C ATOM 1178 O CYS A 76 -3.989 -16.101 11.778 1.00 0.00 O ATOM 1179 CB CYS A 76 -3.569 -19.288 10.823 1.00 0.00 C ATOM 1180 SG CYS A 76 -4.915 -20.405 11.343 1.00 0.00 S ATOM 0 H CYS A 76 -2.155 -17.670 9.630 1.00 0.00 H new ATOM 0 HA CYS A 76 -4.993 -18.220 9.613 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -2.949 -19.780 10.074 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -2.925 -19.065 11.673 1.00 0.00 H new ATOM 1185 N LYS A 77 -5.817 -17.409 11.929 1.00 0.00 N ATOM 1186 CA LYS A 77 -6.472 -16.756 13.074 1.00 0.00 C ATOM 1187 C LYS A 77 -5.666 -16.794 14.379 1.00 0.00 C ATOM 1188 O LYS A 77 -5.124 -15.773 14.801 1.00 0.00 O ATOM 1189 CB LYS A 77 -7.879 -17.361 13.257 1.00 0.00 C ATOM 1190 CG LYS A 77 -8.912 -16.736 12.313 1.00 0.00 C ATOM 1191 CD LYS A 77 -9.286 -15.284 12.653 1.00 0.00 C ATOM 1192 CE LYS A 77 -10.097 -15.114 13.943 1.00 0.00 C ATOM 1193 NZ LYS A 77 -9.269 -14.890 15.161 1.00 0.00 N ATOM 0 H LYS A 77 -6.365 -18.191 11.569 1.00 0.00 H new ATOM 0 HA LYS A 77 -6.544 -15.694 12.838 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -7.835 -18.436 13.082 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -8.201 -17.219 14.289 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -8.523 -16.769 11.295 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.816 -17.345 12.329 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -8.371 -14.698 12.736 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -9.857 -14.867 11.824 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -10.779 -14.273 13.822 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -10.710 -16.003 14.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -9.780 -14.266 15.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -9.080 -15.801 15.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -8.368 -14.445 14.892 1.00 0.00 H new ATOM 1207 N ASP A 78 -5.634 -17.945 15.044 1.00 0.00 N ATOM 1208 CA ASP A 78 -5.117 -18.132 16.407 1.00 0.00 C ATOM 1209 C ASP A 78 -4.059 -19.250 16.420 1.00 0.00 C ATOM 1210 O ASP A 78 -4.226 -20.308 17.037 1.00 0.00 O ATOM 1211 CB ASP A 78 -6.301 -18.371 17.359 1.00 0.00 C ATOM 1212 CG ASP A 78 -7.108 -17.084 17.603 1.00 0.00 C ATOM 1213 OD1 ASP A 78 -8.010 -16.763 16.790 1.00 0.00 O ATOM 1214 OD2 ASP A 78 -6.840 -16.385 18.611 1.00 0.00 O ATOM 0 H ASP A 78 -5.981 -18.813 14.636 1.00 0.00 H new ATOM 0 HA ASP A 78 -4.603 -17.239 16.762 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -6.955 -19.136 16.940 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -5.931 -18.754 18.310 1.00 0.00 H new ATOM 1219 N CYS A 79 -2.984 -19.009 15.665 1.00 0.00 N ATOM 1220 CA CYS A 79 -2.018 -19.994 15.187 1.00 0.00 C ATOM 1221 C CYS A 79 -0.575 -19.442 15.252 1.00 0.00 C ATOM 1222 O CYS A 79 -0.269 -18.565 16.067 1.00 0.00 O ATOM 1223 CB CYS A 79 -2.452 -20.321 13.753 1.00 0.00 C ATOM 1224 SG CYS A 79 -2.404 -22.087 13.372 1.00 0.00 S ATOM 0 H CYS A 79 -2.754 -18.065 15.354 1.00 0.00 H new ATOM 0 HA CYS A 79 -2.005 -20.891 15.807 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -3.465 -19.950 13.595 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -1.805 -19.789 13.055 1.00 0.00 H new ATOM 1229 N SER A 80 0.306 -19.950 14.387 1.00 0.00 N ATOM 1230 CA SER A 80 1.722 -19.550 14.310 1.00 0.00 C ATOM 1231 C SER A 80 2.301 -19.426 12.889 1.00 0.00 C ATOM 1232 O SER A 80 3.497 -19.160 12.739 1.00 0.00 O ATOM 1233 CB SER A 80 2.553 -20.499 15.182 1.00 0.00 C ATOM 1234 OG SER A 80 2.606 -21.812 14.636 1.00 0.00 O ATOM 0 H SER A 80 0.055 -20.666 13.705 1.00 0.00 H new ATOM 0 HA SER A 80 1.776 -18.530 14.691 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.565 -20.107 15.283 1.00 0.00 H new ATOM 0 HB3 SER A 80 2.125 -20.539 16.184 1.00 0.00 H new ATOM 0 HG SER A 80 3.145 -22.387 15.218 1.00 0.00 H new ATOM 1240 N HIS A 81 1.487 -19.605 11.840 1.00 0.00 N ATOM 1241 CA HIS A 81 1.905 -19.642 10.435 1.00 0.00 C ATOM 1242 C HIS A 81 1.110 -18.674 9.540 1.00 0.00 C ATOM 1243 O HIS A 81 -0.054 -18.355 9.808 1.00 0.00 O ATOM 1244 CB HIS A 81 1.730 -21.089 9.968 1.00 0.00 C ATOM 1245 CG HIS A 81 2.053 -21.348 8.522 1.00 0.00 C ATOM 1246 ND1 HIS A 81 3.309 -21.385 7.956 1.00 0.00 N ATOM 1247 CD2 HIS A 81 1.138 -21.603 7.535 1.00 0.00 C ATOM 1248 CE1 HIS A 81 3.155 -21.649 6.645 1.00 0.00 C ATOM 1249 NE2 HIS A 81 1.851 -21.785 6.346 1.00 0.00 N ATOM 0 H HIS A 81 0.481 -19.733 11.953 1.00 0.00 H new ATOM 0 HA HIS A 81 2.941 -19.312 10.354 1.00 0.00 H new ATOM 0 HB2 HIS A 81 2.362 -21.730 10.583 1.00 0.00 H new ATOM 0 HB3 HIS A 81 0.698 -21.389 10.151 1.00 0.00 H new ATOM 0 HD1 HIS A 81 4.194 -21.239 8.442 1.00 0.00 H new ATOM 0 HD2 HIS A 81 0.066 -21.654 7.653 1.00 0.00 H new ATOM 0 HE1 HIS A 81 3.963 -21.739 5.935 1.00 0.00 H new ATOM 1257 N VAL A 82 1.741 -18.248 8.440 1.00 0.00 N ATOM 1258 CA VAL A 82 1.154 -17.476 7.338 1.00 0.00 C ATOM 1259 C VAL A 82 1.673 -18.006 5.992 1.00 0.00 C ATOM 1260 O VAL A 82 2.789 -18.530 5.921 1.00 0.00 O ATOM 1261 CB VAL A 82 1.427 -15.958 7.489 1.00 0.00 C ATOM 1262 CG1 VAL A 82 1.493 -15.466 8.944 1.00 0.00 C ATOM 1263 CG2 VAL A 82 2.709 -15.461 6.816 1.00 0.00 C ATOM 0 H VAL A 82 2.730 -18.443 8.286 1.00 0.00 H new ATOM 0 HA VAL A 82 0.072 -17.605 7.371 1.00 0.00 H new ATOM 0 HB VAL A 82 0.555 -15.544 6.982 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.687 -14.394 8.957 1.00 0.00 H new ATOM 0 HG12 VAL A 82 0.544 -15.669 9.440 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.295 -15.986 9.468 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.812 -14.388 6.977 1.00 0.00 H new ATOM 0 HG22 VAL A 82 3.568 -15.977 7.245 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.661 -15.664 5.746 1.00 0.00 H new ATOM 1273 N PHE A 83 0.909 -17.825 4.913 1.00 0.00 N ATOM 1274 CA PHE A 83 1.289 -18.231 3.549 1.00 0.00 C ATOM 1275 C PHE A 83 0.875 -17.200 2.476 1.00 0.00 C ATOM 1276 O PHE A 83 0.317 -16.147 2.792 1.00 0.00 O ATOM 1277 CB PHE A 83 0.763 -19.658 3.278 1.00 0.00 C ATOM 1278 CG PHE A 83 -0.740 -19.859 3.387 1.00 0.00 C ATOM 1279 CD1 PHE A 83 -1.599 -19.308 2.415 1.00 0.00 C ATOM 1280 CD2 PHE A 83 -1.286 -20.633 4.433 1.00 0.00 C ATOM 1281 CE1 PHE A 83 -2.987 -19.505 2.484 1.00 0.00 C ATOM 1282 CE2 PHE A 83 -2.677 -20.815 4.505 1.00 0.00 C ATOM 1283 CZ PHE A 83 -3.526 -20.262 3.533 1.00 0.00 C ATOM 0 H PHE A 83 -0.010 -17.384 4.959 1.00 0.00 H new ATOM 0 HA PHE A 83 2.376 -18.255 3.479 1.00 0.00 H new ATOM 0 HB2 PHE A 83 1.075 -19.952 2.276 1.00 0.00 H new ATOM 0 HB3 PHE A 83 1.250 -20.339 3.976 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.183 -18.726 1.606 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -0.639 -21.082 5.172 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -3.635 -19.076 1.734 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -3.099 -21.387 5.318 1.00 0.00 H new ATOM 0 HZ PHE A 83 -4.593 -20.420 3.594 1.00 0.00 H new ATOM 1293 N LYS A 84 1.145 -17.501 1.196 1.00 0.00 N ATOM 1294 CA LYS A 84 0.707 -16.722 0.020 1.00 0.00 C ATOM 1295 C LYS A 84 -0.439 -17.439 -0.728 1.00 0.00 C ATOM 1296 O LYS A 84 -0.410 -18.669 -0.828 1.00 0.00 O ATOM 1297 CB LYS A 84 1.899 -16.372 -0.902 1.00 0.00 C ATOM 1298 CG LYS A 84 2.623 -17.545 -1.598 1.00 0.00 C ATOM 1299 CD LYS A 84 3.714 -18.241 -0.759 1.00 0.00 C ATOM 1300 CE LYS A 84 5.144 -17.819 -1.137 1.00 0.00 C ATOM 1301 NZ LYS A 84 5.444 -16.405 -0.791 1.00 0.00 N ATOM 0 H LYS A 84 1.693 -18.322 0.939 1.00 0.00 H new ATOM 0 HA LYS A 84 0.304 -15.773 0.372 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.540 -15.691 -1.674 1.00 0.00 H new ATOM 0 HB3 LYS A 84 2.634 -15.825 -0.311 1.00 0.00 H new ATOM 0 HG2 LYS A 84 1.880 -18.289 -1.886 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.076 -17.175 -2.518 1.00 0.00 H new ATOM 0 HD2 LYS A 84 3.546 -18.021 0.295 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.619 -19.320 -0.878 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.855 -18.470 -0.629 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.288 -17.964 -2.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 6.420 -16.179 -1.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 4.786 -15.777 -1.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 5.336 -16.268 0.234 1.00 0.00 H new ATOM 1315 N PRO A 85 -1.460 -16.719 -1.227 1.00 0.00 N ATOM 1316 CA PRO A 85 -2.645 -17.327 -1.835 1.00 0.00 C ATOM 1317 C PRO A 85 -2.331 -17.914 -3.222 1.00 0.00 C ATOM 1318 O PRO A 85 -1.844 -17.214 -4.113 1.00 0.00 O ATOM 1319 CB PRO A 85 -3.692 -16.209 -1.889 1.00 0.00 C ATOM 1320 CG PRO A 85 -2.862 -14.930 -1.972 1.00 0.00 C ATOM 1321 CD PRO A 85 -1.583 -15.269 -1.203 1.00 0.00 C ATOM 0 HA PRO A 85 -3.012 -18.174 -1.256 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -4.347 -16.317 -2.754 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -4.329 -16.215 -1.004 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -2.647 -14.660 -3.006 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -3.385 -14.085 -1.524 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -0.716 -14.798 -1.666 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -1.637 -14.901 -0.178 1.00 0.00 H new ATOM 1329 N ASN A 86 -2.605 -19.210 -3.403 1.00 0.00 N ATOM 1330 CA ASN A 86 -2.419 -19.939 -4.665 1.00 0.00 C ATOM 1331 C ASN A 86 -3.542 -20.973 -4.879 1.00 0.00 C ATOM 1332 O ASN A 86 -4.396 -20.790 -5.751 1.00 0.00 O ATOM 1333 CB ASN A 86 -1.007 -20.556 -4.679 1.00 0.00 C ATOM 1334 CG ASN A 86 -0.705 -21.253 -5.995 1.00 0.00 C ATOM 1335 OD1 ASN A 86 -0.957 -22.437 -6.171 1.00 0.00 O ATOM 1336 ND2 ASN A 86 -0.176 -20.544 -6.967 1.00 0.00 N ATOM 0 H ASN A 86 -2.973 -19.799 -2.656 1.00 0.00 H new ATOM 0 HA ASN A 86 -2.492 -19.255 -5.511 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -0.268 -19.774 -4.504 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -0.915 -21.270 -3.861 1.00 0.00 H new ATOM 0 HD21 ASN A 86 0.024 -20.981 -7.867 1.00 0.00 H new ATOM 0 HD22 ASN A 86 0.035 -19.557 -6.822 1.00 0.00 H new ATOM 1343 N ALA A 87 -3.570 -22.035 -4.068 1.00 0.00 N ATOM 1344 CA ALA A 87 -4.682 -22.985 -3.991 1.00 0.00 C ATOM 1345 C ALA A 87 -5.931 -22.370 -3.320 1.00 0.00 C ATOM 1346 O ALA A 87 -5.848 -21.345 -2.635 1.00 0.00 O ATOM 1347 CB ALA A 87 -4.200 -24.226 -3.227 1.00 0.00 C ATOM 0 H ALA A 87 -2.804 -22.262 -3.434 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.987 -23.259 -5.001 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.013 -24.949 -3.157 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.360 -24.675 -3.756 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -3.885 -23.936 -2.225 1.00 0.00 H new ATOM 1353 N LEU A 88 -7.078 -23.043 -3.471 1.00 0.00 N ATOM 1354 CA LEU A 88 -8.363 -22.677 -2.866 1.00 0.00 C ATOM 1355 C LEU A 88 -8.877 -23.777 -1.924 1.00 0.00 C ATOM 1356 O LEU A 88 -8.892 -23.571 -0.712 1.00 0.00 O ATOM 1357 CB LEU A 88 -9.386 -22.197 -3.925 1.00 0.00 C ATOM 1358 CG LEU A 88 -9.629 -23.076 -5.175 1.00 0.00 C ATOM 1359 CD1 LEU A 88 -11.029 -22.811 -5.726 1.00 0.00 C ATOM 1360 CD2 LEU A 88 -8.642 -22.792 -6.312 1.00 0.00 C ATOM 0 H LEU A 88 -7.138 -23.888 -4.039 1.00 0.00 H new ATOM 0 HA LEU A 88 -8.205 -21.809 -2.226 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -10.344 -22.065 -3.423 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -9.068 -21.213 -4.270 1.00 0.00 H new ATOM 0 HG LEU A 88 -9.501 -24.107 -4.847 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -11.197 -23.432 -6.606 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -11.771 -23.052 -4.965 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -11.119 -21.760 -6.000 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -8.866 -23.441 -7.159 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -8.731 -21.750 -6.620 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -7.626 -22.983 -5.968 1.00 0.00 H new ATOM 1372 N ASP A 89 -9.232 -24.958 -2.439 1.00 0.00 N ATOM 1373 CA ASP A 89 -9.700 -26.094 -1.626 1.00 0.00 C ATOM 1374 C ASP A 89 -8.586 -26.649 -0.719 1.00 0.00 C ATOM 1375 O ASP A 89 -8.787 -26.869 0.476 1.00 0.00 O ATOM 1376 CB ASP A 89 -10.251 -27.185 -2.556 1.00 0.00 C ATOM 1377 CG ASP A 89 -10.908 -28.326 -1.758 1.00 0.00 C ATOM 1378 OD1 ASP A 89 -12.030 -28.125 -1.234 1.00 0.00 O ATOM 1379 OD2 ASP A 89 -10.315 -29.426 -1.666 1.00 0.00 O ATOM 0 H ASP A 89 -9.204 -25.158 -3.439 1.00 0.00 H new ATOM 0 HA ASP A 89 -10.493 -25.745 -0.965 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -10.981 -26.749 -3.238 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -9.443 -27.586 -3.168 1.00 0.00 H new ATOM 1384 N TYR A 90 -7.379 -26.789 -1.278 1.00 0.00 N ATOM 1385 CA TYR A 90 -6.141 -27.151 -0.571 1.00 0.00 C ATOM 1386 C TYR A 90 -5.462 -25.944 0.118 1.00 0.00 C ATOM 1387 O TYR A 90 -4.363 -26.072 0.659 1.00 0.00 O ATOM 1388 CB TYR A 90 -5.173 -27.824 -1.560 1.00 0.00 C ATOM 1389 CG TYR A 90 -5.786 -28.938 -2.391 1.00 0.00 C ATOM 1390 CD1 TYR A 90 -6.005 -30.207 -1.819 1.00 0.00 C ATOM 1391 CD2 TYR A 90 -6.154 -28.697 -3.731 1.00 0.00 C ATOM 1392 CE1 TYR A 90 -6.590 -31.235 -2.584 1.00 0.00 C ATOM 1393 CE2 TYR A 90 -6.746 -29.721 -4.496 1.00 0.00 C ATOM 1394 CZ TYR A 90 -6.966 -30.994 -3.925 1.00 0.00 C ATOM 1395 OH TYR A 90 -7.537 -31.978 -4.672 1.00 0.00 O ATOM 0 H TYR A 90 -7.230 -26.648 -2.277 1.00 0.00 H new ATOM 0 HA TYR A 90 -6.407 -27.844 0.227 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -4.776 -27.064 -2.233 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -4.328 -28.228 -1.002 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -5.724 -30.392 -0.793 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -5.982 -27.726 -4.171 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -6.751 -32.209 -2.145 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -7.032 -29.533 -5.520 1.00 0.00 H new ATOM 0 HH TYR A 90 -7.732 -31.636 -5.570 1.00 0.00 H new ATOM 1405 N GLY A 91 -6.092 -24.762 0.105 1.00 0.00 N ATOM 1406 CA GLY A 91 -5.554 -23.480 0.587 1.00 0.00 C ATOM 1407 C GLY A 91 -5.792 -23.255 2.082 1.00 0.00 C ATOM 1408 O GLY A 91 -6.135 -22.149 2.501 1.00 0.00 O ATOM 0 H GLY A 91 -7.040 -24.668 -0.261 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -4.483 -23.443 0.386 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.012 -22.666 0.025 1.00 0.00 H new ATOM 1412 N VAL A 92 -5.736 -24.331 2.864 1.00 0.00 N ATOM 1413 CA VAL A 92 -5.890 -24.360 4.326 1.00 0.00 C ATOM 1414 C VAL A 92 -4.622 -23.889 5.049 1.00 0.00 C ATOM 1415 O VAL A 92 -3.527 -23.933 4.483 1.00 0.00 O ATOM 1416 CB VAL A 92 -6.236 -25.785 4.804 1.00 0.00 C ATOM 1417 CG1 VAL A 92 -7.653 -26.202 4.403 1.00 0.00 C ATOM 1418 CG2 VAL A 92 -5.273 -26.856 4.276 1.00 0.00 C ATOM 0 H VAL A 92 -5.573 -25.261 2.478 1.00 0.00 H new ATOM 0 HA VAL A 92 -6.702 -23.675 4.570 1.00 0.00 H new ATOM 0 HB VAL A 92 -6.149 -25.730 5.889 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -7.850 -27.212 4.762 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -8.374 -25.513 4.844 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -7.746 -26.178 3.317 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.575 -27.834 4.651 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.297 -26.862 3.186 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.261 -26.634 4.615 1.00 0.00 H new ATOM 1428 N CYS A 93 -4.753 -23.511 6.326 1.00 0.00 N ATOM 1429 CA CYS A 93 -3.616 -23.381 7.243 1.00 0.00 C ATOM 1430 C CYS A 93 -2.836 -24.709 7.341 1.00 0.00 C ATOM 1431 O CYS A 93 -3.403 -25.790 7.539 1.00 0.00 O ATOM 1432 CB CYS A 93 -4.115 -22.816 8.576 1.00 0.00 C ATOM 1433 SG CYS A 93 -2.895 -23.065 9.902 1.00 0.00 S ATOM 0 H CYS A 93 -5.652 -23.286 6.753 1.00 0.00 H new ATOM 0 HA CYS A 93 -2.884 -22.668 6.864 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -4.323 -21.752 8.466 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -5.054 -23.298 8.848 1.00 0.00 H new ATOM 1438 N GLU A 94 -1.517 -24.627 7.139 1.00 0.00 N ATOM 1439 CA GLU A 94 -0.612 -25.783 7.157 1.00 0.00 C ATOM 1440 C GLU A 94 -0.479 -26.415 8.551 1.00 0.00 C ATOM 1441 O GLU A 94 -0.131 -27.594 8.672 1.00 0.00 O ATOM 1442 CB GLU A 94 0.783 -25.391 6.648 1.00 0.00 C ATOM 1443 CG GLU A 94 0.719 -24.829 5.223 1.00 0.00 C ATOM 1444 CD GLU A 94 2.082 -24.827 4.488 1.00 0.00 C ATOM 1445 OE1 GLU A 94 3.157 -24.965 5.123 1.00 0.00 O ATOM 1446 OE2 GLU A 94 2.083 -24.715 3.236 1.00 0.00 O ATOM 0 H GLU A 94 -1.040 -23.744 6.956 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.057 -26.525 6.494 1.00 0.00 H new ATOM 0 HB2 GLU A 94 1.220 -24.648 7.315 1.00 0.00 H new ATOM 0 HB3 GLU A 94 1.438 -26.262 6.669 1.00 0.00 H new ATOM 0 HG2 GLU A 94 0.006 -25.415 4.643 1.00 0.00 H new ATOM 0 HG3 GLU A 94 0.337 -23.809 5.262 1.00 0.00 H new ATOM 1453 N LYS A 95 -0.766 -25.635 9.599 1.00 0.00 N ATOM 1454 CA LYS A 95 -0.778 -26.097 11.002 1.00 0.00 C ATOM 1455 C LYS A 95 -2.111 -26.751 11.360 1.00 0.00 C ATOM 1456 O LYS A 95 -2.137 -27.854 11.912 1.00 0.00 O ATOM 1457 CB LYS A 95 -0.520 -24.941 11.988 1.00 0.00 C ATOM 1458 CG LYS A 95 0.611 -23.977 11.617 1.00 0.00 C ATOM 1459 CD LYS A 95 1.958 -24.650 11.356 1.00 0.00 C ATOM 1460 CE LYS A 95 2.505 -25.364 12.599 1.00 0.00 C ATOM 1461 NZ LYS A 95 3.838 -25.968 12.341 1.00 0.00 N ATOM 0 H LYS A 95 -1.001 -24.647 9.500 1.00 0.00 H new ATOM 0 HA LYS A 95 0.025 -26.828 11.089 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -1.440 -24.366 12.091 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -0.300 -25.368 12.966 1.00 0.00 H new ATOM 0 HG2 LYS A 95 0.319 -23.420 10.727 1.00 0.00 H new ATOM 0 HG3 LYS A 95 0.732 -23.252 12.422 1.00 0.00 H new ATOM 0 HD2 LYS A 95 1.850 -25.370 10.545 1.00 0.00 H new ATOM 0 HD3 LYS A 95 2.677 -23.901 11.024 1.00 0.00 H new ATOM 0 HE2 LYS A 95 2.580 -24.655 13.423 1.00 0.00 H new ATOM 0 HE3 LYS A 95 1.807 -26.141 12.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 4.177 -26.442 13.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 3.761 -26.663 11.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 4.510 -25.223 12.069 1.00 0.00 H new ATOM 1475 N CYS A 96 -3.201 -26.046 11.050 1.00 0.00 N ATOM 1476 CA CYS A 96 -4.582 -26.399 11.367 1.00 0.00 C ATOM 1477 C CYS A 96 -5.477 -26.356 10.105 1.00 0.00 C ATOM 1478 O CYS A 96 -5.908 -25.300 9.655 1.00 0.00 O ATOM 1479 CB CYS A 96 -5.050 -25.600 12.608 1.00 0.00 C ATOM 1480 SG CYS A 96 -5.435 -23.851 12.395 1.00 0.00 S ATOM 0 H CYS A 96 -3.137 -25.164 10.542 1.00 0.00 H new ATOM 0 HA CYS A 96 -4.669 -27.441 11.674 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -5.938 -26.091 13.006 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -4.274 -25.681 13.369 1.00 0.00 H new ATOM 1485 N HIS A 97 -5.697 -27.525 9.490 1.00 0.00 N ATOM 1486 CA HIS A 97 -6.328 -27.755 8.176 1.00 0.00 C ATOM 1487 C HIS A 97 -7.786 -27.249 8.008 1.00 0.00 C ATOM 1488 O HIS A 97 -8.729 -28.019 7.798 1.00 0.00 O ATOM 1489 CB HIS A 97 -6.161 -29.233 7.771 1.00 0.00 C ATOM 1490 CG HIS A 97 -6.844 -30.250 8.663 1.00 0.00 C ATOM 1491 ND1 HIS A 97 -6.684 -30.406 10.017 1.00 0.00 N flip ATOM 1492 CD2 HIS A 97 -7.749 -31.205 8.244 1.00 0.00 C flip ATOM 1493 CE1 HIS A 97 -7.505 -31.466 10.422 1.00 0.00 C flip ATOM 1494 NE2 HIS A 97 -8.131 -31.917 9.319 1.00 0.00 N flip ATOM 0 H HIS A 97 -5.419 -28.403 9.928 1.00 0.00 H new ATOM 0 HA HIS A 97 -5.787 -27.115 7.479 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -6.541 -29.356 6.757 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -5.096 -29.463 7.742 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -8.090 -31.354 7.230 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -7.615 -31.848 11.426 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -8.799 -32.688 9.301 1.00 0.00 H new ATOM 1502 N SER A 98 -7.952 -25.928 8.026 1.00 0.00 N ATOM 1503 CA SER A 98 -9.192 -25.164 7.860 1.00 0.00 C ATOM 1504 C SER A 98 -8.969 -23.903 7.012 1.00 0.00 C ATOM 1505 O SER A 98 -7.849 -23.406 6.864 1.00 0.00 O ATOM 1506 CB SER A 98 -9.748 -24.778 9.240 1.00 0.00 C ATOM 1507 OG SER A 98 -10.267 -25.915 9.914 1.00 0.00 O ATOM 0 H SER A 98 -7.154 -25.309 8.169 1.00 0.00 H new ATOM 0 HA SER A 98 -9.911 -25.793 7.336 1.00 0.00 H new ATOM 0 HB2 SER A 98 -8.960 -24.323 9.840 1.00 0.00 H new ATOM 0 HB3 SER A 98 -10.532 -24.030 9.124 1.00 0.00 H new ATOM 0 HG SER A 98 -10.614 -25.646 10.790 1.00 0.00 H new ATOM 1513 N LYS A 99 -10.060 -23.380 6.441 1.00 0.00 N ATOM 1514 CA LYS A 99 -10.123 -22.217 5.527 1.00 0.00 C ATOM 1515 C LYS A 99 -10.228 -20.859 6.251 1.00 0.00 C ATOM 1516 O LYS A 99 -10.459 -19.837 5.608 1.00 0.00 O ATOM 1517 CB LYS A 99 -11.319 -22.427 4.566 1.00 0.00 C ATOM 1518 CG LYS A 99 -11.268 -23.704 3.698 1.00 0.00 C ATOM 1519 CD LYS A 99 -10.633 -23.546 2.311 1.00 0.00 C ATOM 1520 CE LYS A 99 -9.149 -23.169 2.353 1.00 0.00 C ATOM 1521 NZ LYS A 99 -8.914 -21.741 2.013 1.00 0.00 N ATOM 0 H LYS A 99 -10.984 -23.777 6.611 1.00 0.00 H new ATOM 0 HA LYS A 99 -9.183 -22.169 4.978 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -12.235 -22.448 5.156 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -11.385 -21.563 3.904 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -10.716 -24.469 4.244 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -12.285 -24.074 3.571 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -10.746 -24.480 1.761 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -11.178 -22.782 1.757 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -8.754 -23.372 3.349 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -8.597 -23.800 1.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -7.904 -21.520 2.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -9.203 -21.566 1.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -9.471 -21.136 2.650 1.00 0.00 H new ATOM 1535 N ASN A 100 -10.070 -20.836 7.577 1.00 0.00 N ATOM 1536 CA ASN A 100 -10.278 -19.687 8.473 1.00 0.00 C ATOM 1537 C ASN A 100 -9.310 -18.493 8.289 1.00 0.00 C ATOM 1538 O ASN A 100 -9.480 -17.468 8.950 1.00 0.00 O ATOM 1539 CB ASN A 100 -10.207 -20.208 9.922 1.00 0.00 C ATOM 1540 CG ASN A 100 -8.806 -20.660 10.306 1.00 0.00 C ATOM 1541 OD1 ASN A 100 -8.446 -21.812 10.136 1.00 0.00 O ATOM 1542 ND2 ASN A 100 -7.982 -19.759 10.790 1.00 0.00 N ATOM 0 H ASN A 100 -9.776 -21.668 8.088 1.00 0.00 H new ATOM 0 HA ASN A 100 -11.253 -19.270 8.218 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -10.533 -19.423 10.604 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -10.900 -21.041 10.040 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -7.025 -20.019 11.030 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -8.299 -18.799 10.926 1.00 0.00 H new ATOM 1549 N VAL A 101 -8.270 -18.634 7.461 1.00 0.00 N ATOM 1550 CA VAL A 101 -7.224 -17.627 7.207 1.00 0.00 C ATOM 1551 C VAL A 101 -7.762 -16.244 6.792 1.00 0.00 C ATOM 1552 O VAL A 101 -8.810 -16.136 6.148 1.00 0.00 O ATOM 1553 CB VAL A 101 -6.221 -18.135 6.149 1.00 0.00 C ATOM 1554 CG1 VAL A 101 -5.430 -19.337 6.678 1.00 0.00 C ATOM 1555 CG2 VAL A 101 -6.880 -18.544 4.824 1.00 0.00 C ATOM 0 H VAL A 101 -8.124 -19.489 6.924 1.00 0.00 H new ATOM 0 HA VAL A 101 -6.723 -17.487 8.165 1.00 0.00 H new ATOM 0 HB VAL A 101 -5.561 -17.290 5.953 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.730 -19.677 5.914 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -4.878 -19.045 7.572 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -6.118 -20.145 6.925 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.115 -18.890 4.129 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -7.595 -19.346 5.006 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -7.398 -17.686 4.395 1.00 0.00 H new ATOM 1565 N ILE A 102 -7.015 -15.186 7.124 1.00 0.00 N ATOM 1566 CA ILE A 102 -7.311 -13.781 6.788 1.00 0.00 C ATOM 1567 C ILE A 102 -6.108 -13.046 6.175 1.00 0.00 C ATOM 1568 O ILE A 102 -4.950 -13.371 6.440 1.00 0.00 O ATOM 1569 CB ILE A 102 -7.856 -12.995 8.005 1.00 0.00 C ATOM 1570 CG1 ILE A 102 -6.872 -12.864 9.195 1.00 0.00 C ATOM 1571 CG2 ILE A 102 -9.237 -13.520 8.432 1.00 0.00 C ATOM 1572 CD1 ILE A 102 -6.791 -14.046 10.174 1.00 0.00 C ATOM 0 H ILE A 102 -6.151 -15.285 7.656 1.00 0.00 H new ATOM 0 HA ILE A 102 -8.091 -13.822 6.028 1.00 0.00 H new ATOM 0 HB ILE A 102 -7.976 -11.969 7.657 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -5.875 -12.691 8.791 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -7.145 -11.974 9.762 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -9.594 -12.949 9.289 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -9.939 -13.411 7.605 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -9.158 -14.572 8.705 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -6.066 -13.821 10.956 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -7.770 -14.214 10.624 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -6.480 -14.942 9.637 1.00 0.00 H new ATOM 1584 N ILE A 103 -6.385 -12.021 5.364 1.00 0.00 N ATOM 1585 CA ILE A 103 -5.394 -11.185 4.685 1.00 0.00 C ATOM 1586 C ILE A 103 -4.844 -10.186 5.712 1.00 0.00 C ATOM 1587 O ILE A 103 -5.588 -9.332 6.202 1.00 0.00 O ATOM 1588 CB ILE A 103 -5.985 -10.463 3.442 1.00 0.00 C ATOM 1589 CG1 ILE A 103 -6.714 -11.369 2.417 1.00 0.00 C ATOM 1590 CG2 ILE A 103 -4.831 -9.792 2.678 1.00 0.00 C ATOM 1591 CD1 ILE A 103 -8.121 -11.841 2.807 1.00 0.00 C ATOM 0 H ILE A 103 -7.343 -11.741 5.155 1.00 0.00 H new ATOM 0 HA ILE A 103 -4.589 -11.812 4.301 1.00 0.00 H new ATOM 0 HB ILE A 103 -6.727 -9.774 3.845 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -6.784 -10.830 1.472 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -6.096 -12.248 2.237 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -5.225 -9.279 1.801 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -4.335 -9.071 3.328 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -4.114 -10.550 2.363 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -8.528 -12.467 2.013 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -8.069 -12.416 3.731 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -8.767 -10.976 2.955 1.00 0.00 H new ATOM 1603 N THR A 104 -3.561 -10.304 6.063 1.00 0.00 N ATOM 1604 CA THR A 104 -2.868 -9.396 7.005 1.00 0.00 C ATOM 1605 C THR A 104 -2.051 -8.316 6.272 1.00 0.00 C ATOM 1606 O THR A 104 -1.615 -7.325 6.864 1.00 0.00 O ATOM 1607 CB THR A 104 -2.021 -10.214 7.999 1.00 0.00 C ATOM 1608 OG1 THR A 104 -1.484 -9.405 9.025 1.00 0.00 O ATOM 1609 CG2 THR A 104 -0.855 -10.967 7.355 1.00 0.00 C ATOM 0 H THR A 104 -2.958 -11.042 5.700 1.00 0.00 H new ATOM 0 HA THR A 104 -3.619 -8.853 7.578 1.00 0.00 H new ATOM 0 HB THR A 104 -2.726 -10.941 8.403 1.00 0.00 H new ATOM 0 HG1 THR A 104 -1.423 -8.478 8.713 1.00 0.00 H new ATOM 0 HG21 THR A 104 -0.309 -11.517 8.122 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.239 -11.665 6.611 1.00 0.00 H new ATOM 0 HG23 THR A 104 -0.185 -10.256 6.873 1.00 0.00 H new ATOM 1617 N GLN A 105 -1.877 -8.484 4.959 1.00 0.00 N ATOM 1618 CA GLN A 105 -1.147 -7.607 4.044 1.00 0.00 C ATOM 1619 C GLN A 105 -1.722 -7.814 2.639 1.00 0.00 C ATOM 1620 O GLN A 105 -1.855 -8.955 2.198 1.00 0.00 O ATOM 1621 CB GLN A 105 0.356 -7.955 4.116 1.00 0.00 C ATOM 1622 CG GLN A 105 1.212 -7.552 2.904 1.00 0.00 C ATOM 1623 CD GLN A 105 1.128 -6.075 2.512 1.00 0.00 C ATOM 1624 OE1 GLN A 105 0.911 -5.188 3.326 1.00 0.00 O ATOM 1625 NE2 GLN A 105 1.258 -5.759 1.242 1.00 0.00 N ATOM 0 H GLN A 105 -2.270 -9.292 4.475 1.00 0.00 H new ATOM 0 HA GLN A 105 -1.255 -6.556 4.312 1.00 0.00 H new ATOM 0 HB2 GLN A 105 0.774 -7.479 5.003 1.00 0.00 H new ATOM 0 HB3 GLN A 105 0.451 -9.032 4.258 1.00 0.00 H new ATOM 0 HG2 GLN A 105 2.253 -7.797 3.116 1.00 0.00 H new ATOM 0 HG3 GLN A 105 0.910 -8.157 2.049 1.00 0.00 H new ATOM 0 HE21 GLN A 105 1.439 -6.487 0.551 1.00 0.00 H new ATOM 0 HE22 GLN A 105 1.178 -4.786 0.948 1.00 0.00 H new ATOM 1634 N GLY A 106 -2.048 -6.728 1.935 1.00 0.00 N ATOM 1635 CA GLY A 106 -2.591 -6.761 0.569 1.00 0.00 C ATOM 1636 C GLY A 106 -4.044 -6.290 0.431 1.00 0.00 C ATOM 1637 O GLY A 106 -4.560 -6.196 -0.683 1.00 0.00 O ATOM 0 H GLY A 106 -1.941 -5.782 2.302 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -1.963 -6.140 -0.069 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -2.519 -7.781 0.191 1.00 0.00 H new ATOM 1641 N ASN A 107 -4.704 -6.000 1.556 1.00 0.00 N ATOM 1642 CA ASN A 107 -6.116 -5.615 1.663 1.00 0.00 C ATOM 1643 C ASN A 107 -6.454 -4.304 0.911 1.00 0.00 C ATOM 1644 O ASN A 107 -7.588 -4.112 0.469 1.00 0.00 O ATOM 1645 CB ASN A 107 -6.470 -5.436 3.159 1.00 0.00 C ATOM 1646 CG ASN A 107 -6.026 -6.554 4.092 1.00 0.00 C ATOM 1647 OD1 ASN A 107 -4.842 -6.810 4.269 1.00 0.00 O ATOM 1648 ND2 ASN A 107 -6.945 -7.208 4.764 1.00 0.00 N ATOM 0 H ASN A 107 -4.244 -6.029 2.466 1.00 0.00 H new ATOM 0 HA ASN A 107 -6.701 -6.410 1.200 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -6.027 -4.503 3.507 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -7.551 -5.327 3.245 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -6.672 -7.928 5.433 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -7.932 -6.996 4.617 1.00 0.00 H new ATOM 1655 N GLU A 108 -5.487 -3.384 0.812 1.00 0.00 N ATOM 1656 CA GLU A 108 -5.632 -1.997 0.340 1.00 0.00 C ATOM 1657 C GLU A 108 -4.397 -1.523 -0.462 1.00 0.00 C ATOM 1658 O GLU A 108 -3.413 -2.254 -0.618 1.00 0.00 O ATOM 1659 CB GLU A 108 -5.828 -1.063 1.556 1.00 0.00 C ATOM 1660 CG GLU A 108 -7.035 -1.384 2.450 1.00 0.00 C ATOM 1661 CD GLU A 108 -7.203 -0.308 3.540 1.00 0.00 C ATOM 1662 OE1 GLU A 108 -6.250 -0.086 4.328 1.00 0.00 O ATOM 1663 OE2 GLU A 108 -8.289 0.314 3.625 1.00 0.00 O ATOM 0 H GLU A 108 -4.525 -3.598 1.074 1.00 0.00 H new ATOM 0 HA GLU A 108 -6.497 -1.962 -0.322 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -4.926 -1.097 2.167 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -5.929 -0.040 1.194 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -7.939 -1.440 1.844 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -6.902 -2.361 2.914 1.00 0.00 H new ATOM 1670 N MET A 109 -4.419 -0.263 -0.912 1.00 0.00 N ATOM 1671 CA MET A 109 -3.220 0.528 -1.225 1.00 0.00 C ATOM 1672 C MET A 109 -2.959 1.586 -0.142 1.00 0.00 C ATOM 1673 O MET A 109 -3.909 2.103 0.456 1.00 0.00 O ATOM 1674 CB MET A 109 -3.364 1.205 -2.594 1.00 0.00 C ATOM 1675 CG MET A 109 -4.520 2.211 -2.686 1.00 0.00 C ATOM 1676 SD MET A 109 -4.644 3.067 -4.279 1.00 0.00 S ATOM 1677 CE MET A 109 -3.153 4.092 -4.175 1.00 0.00 C ATOM 0 H MET A 109 -5.288 0.247 -1.072 1.00 0.00 H new ATOM 0 HA MET A 109 -2.369 -0.153 -1.254 1.00 0.00 H new ATOM 0 HB2 MET A 109 -2.432 1.718 -2.832 1.00 0.00 H new ATOM 0 HB3 MET A 109 -3.507 0.436 -3.353 1.00 0.00 H new ATOM 0 HG2 MET A 109 -5.457 1.688 -2.495 1.00 0.00 H new ATOM 0 HG3 MET A 109 -4.403 2.954 -1.897 1.00 0.00 H new ATOM 0 HE1 MET A 109 -3.438 5.137 -4.052 1.00 0.00 H new ATOM 0 HE2 MET A 109 -2.553 3.777 -3.321 1.00 0.00 H new ATOM 0 HE3 MET A 109 -2.570 3.980 -5.089 1.00 0.00 H new ATOM 1687 N ARG A 110 -1.689 1.946 0.086 1.00 0.00 N ATOM 1688 CA ARG A 110 -1.252 3.007 1.021 1.00 0.00 C ATOM 1689 C ARG A 110 0.039 3.677 0.530 1.00 0.00 C ATOM 1690 O ARG A 110 0.880 3.027 -0.090 1.00 0.00 O ATOM 1691 CB ARG A 110 -1.033 2.424 2.439 1.00 0.00 C ATOM 1692 CG ARG A 110 -2.311 1.841 3.072 1.00 0.00 C ATOM 1693 CD ARG A 110 -2.112 1.415 4.530 1.00 0.00 C ATOM 1694 NE ARG A 110 -3.354 0.832 5.081 1.00 0.00 N ATOM 1695 CZ ARG A 110 -3.575 0.425 6.315 1.00 0.00 C ATOM 1696 NH1 ARG A 110 -2.668 0.491 7.250 1.00 0.00 N ATOM 1697 NH2 ARG A 110 -4.736 -0.065 6.625 1.00 0.00 N ATOM 0 H ARG A 110 -0.906 1.495 -0.388 1.00 0.00 H new ATOM 0 HA ARG A 110 -2.039 3.760 1.062 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -0.274 1.643 2.388 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -0.641 3.207 3.088 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -3.107 2.584 3.021 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -2.640 0.981 2.489 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -1.304 0.687 4.594 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -1.813 2.276 5.128 1.00 0.00 H new ATOM 0 HE ARG A 110 -4.132 0.733 4.429 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -1.745 0.869 7.039 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -2.882 0.164 8.192 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -5.467 -0.132 5.917 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -4.918 -0.383 7.577 1.00 0.00 H new ATOM 1711 N LEU A 111 0.226 4.964 0.831 1.00 0.00 N ATOM 1712 CA LEU A 111 1.520 5.639 0.648 1.00 0.00 C ATOM 1713 C LEU A 111 2.638 5.013 1.510 1.00 0.00 C ATOM 1714 O LEU A 111 2.368 4.345 2.511 1.00 0.00 O ATOM 1715 CB LEU A 111 1.394 7.175 0.790 1.00 0.00 C ATOM 1716 CG LEU A 111 1.032 7.848 2.134 1.00 0.00 C ATOM 1717 CD1 LEU A 111 -0.316 7.409 2.705 1.00 0.00 C ATOM 1718 CD2 LEU A 111 2.100 7.692 3.215 1.00 0.00 C ATOM 0 H LEU A 111 -0.507 5.567 1.206 1.00 0.00 H new ATOM 0 HA LEU A 111 1.835 5.469 -0.381 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.347 7.599 0.473 1.00 0.00 H new ATOM 0 HB3 LEU A 111 0.646 7.497 0.066 1.00 0.00 H new ATOM 0 HG LEU A 111 0.966 8.902 1.863 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -0.497 7.925 3.648 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -1.108 7.656 1.998 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -0.305 6.333 2.877 1.00 0.00 H new ATOM 0 HD21 LEU A 111 1.771 8.191 4.126 1.00 0.00 H new ATOM 0 HD22 LEU A 111 2.260 6.633 3.419 1.00 0.00 H new ATOM 0 HD23 LEU A 111 3.033 8.140 2.872 1.00 0.00 H new ATOM 1730 N LEU A 112 3.893 5.234 1.110 1.00 0.00 N ATOM 1731 CA LEU A 112 5.094 4.659 1.731 1.00 0.00 C ATOM 1732 C LEU A 112 6.101 5.753 2.125 1.00 0.00 C ATOM 1733 O LEU A 112 6.456 5.867 3.300 1.00 0.00 O ATOM 1734 CB LEU A 112 5.726 3.618 0.783 1.00 0.00 C ATOM 1735 CG LEU A 112 4.858 2.374 0.501 1.00 0.00 C ATOM 1736 CD1 LEU A 112 5.533 1.507 -0.564 1.00 0.00 C ATOM 1737 CD2 LEU A 112 4.648 1.515 1.748 1.00 0.00 C ATOM 0 H LEU A 112 4.111 5.839 0.318 1.00 0.00 H new ATOM 0 HA LEU A 112 4.803 4.154 2.652 1.00 0.00 H new ATOM 0 HB2 LEU A 112 5.954 4.105 -0.165 1.00 0.00 H new ATOM 0 HB3 LEU A 112 6.674 3.291 1.209 1.00 0.00 H new ATOM 0 HG LEU A 112 3.887 2.735 0.162 1.00 0.00 H new ATOM 0 HD11 LEU A 112 4.918 0.629 -0.762 1.00 0.00 H new ATOM 0 HD12 LEU A 112 5.649 2.083 -1.482 1.00 0.00 H new ATOM 0 HD13 LEU A 112 6.513 1.191 -0.208 1.00 0.00 H new ATOM 0 HD21 LEU A 112 4.031 0.653 1.496 1.00 0.00 H new ATOM 0 HD22 LEU A 112 5.613 1.174 2.122 1.00 0.00 H new ATOM 0 HD23 LEU A 112 4.150 2.105 2.517 1.00 0.00 H new ATOM 1749 N SER A 113 6.542 6.559 1.154 1.00 0.00 N ATOM 1750 CA SER A 113 7.543 7.627 1.325 1.00 0.00 C ATOM 1751 C SER A 113 7.313 8.779 0.339 1.00 0.00 C ATOM 1752 O SER A 113 6.591 8.631 -0.646 1.00 0.00 O ATOM 1753 CB SER A 113 8.963 7.075 1.090 1.00 0.00 C ATOM 1754 OG SER A 113 9.265 5.963 1.919 1.00 0.00 O ATOM 0 H SER A 113 6.203 6.487 0.195 1.00 0.00 H new ATOM 0 HA SER A 113 7.440 7.998 2.345 1.00 0.00 H new ATOM 0 HB2 SER A 113 9.066 6.782 0.045 1.00 0.00 H new ATOM 0 HB3 SER A 113 9.690 7.866 1.272 1.00 0.00 H new ATOM 0 HG SER A 113 10.174 5.651 1.729 1.00 0.00 H new ATOM 1760 N LEU A 114 7.986 9.913 0.548 1.00 0.00 N ATOM 1761 CA LEU A 114 8.152 10.966 -0.457 1.00 0.00 C ATOM 1762 C LEU A 114 9.565 11.547 -0.402 1.00 0.00 C ATOM 1763 O LEU A 114 9.992 12.092 0.618 1.00 0.00 O ATOM 1764 CB LEU A 114 7.075 12.068 -0.401 1.00 0.00 C ATOM 1765 CG LEU A 114 6.645 12.616 0.977 1.00 0.00 C ATOM 1766 CD1 LEU A 114 5.970 13.974 0.776 1.00 0.00 C ATOM 1767 CD2 LEU A 114 5.619 11.736 1.701 1.00 0.00 C ATOM 0 H LEU A 114 8.439 10.129 1.436 1.00 0.00 H new ATOM 0 HA LEU A 114 8.008 10.486 -1.425 1.00 0.00 H new ATOM 0 HB2 LEU A 114 7.432 12.910 -0.994 1.00 0.00 H new ATOM 0 HB3 LEU A 114 6.183 11.684 -0.897 1.00 0.00 H new ATOM 0 HG LEU A 114 7.553 12.661 1.579 1.00 0.00 H new ATOM 0 HD11 LEU A 114 5.661 14.373 1.742 1.00 0.00 H new ATOM 0 HD12 LEU A 114 6.672 14.663 0.306 1.00 0.00 H new ATOM 0 HD13 LEU A 114 5.096 13.855 0.136 1.00 0.00 H new ATOM 0 HD21 LEU A 114 5.366 12.186 2.661 1.00 0.00 H new ATOM 0 HD22 LEU A 114 4.719 11.651 1.092 1.00 0.00 H new ATOM 0 HD23 LEU A 114 6.041 10.745 1.865 1.00 0.00 H new ATOM 1779 N GLU A 115 10.294 11.413 -1.505 1.00 0.00 N ATOM 1780 CA GLU A 115 11.577 12.083 -1.706 1.00 0.00 C ATOM 1781 C GLU A 115 11.344 13.564 -2.030 1.00 0.00 C ATOM 1782 O GLU A 115 10.361 13.921 -2.686 1.00 0.00 O ATOM 1783 CB GLU A 115 12.370 11.410 -2.840 1.00 0.00 C ATOM 1784 CG GLU A 115 12.711 9.946 -2.527 1.00 0.00 C ATOM 1785 CD GLU A 115 13.704 9.373 -3.558 1.00 0.00 C ATOM 1786 OE1 GLU A 115 14.936 9.488 -3.344 1.00 0.00 O ATOM 1787 OE2 GLU A 115 13.265 8.791 -4.579 1.00 0.00 O ATOM 0 H GLU A 115 10.009 10.831 -2.293 1.00 0.00 H new ATOM 0 HA GLU A 115 12.160 12.004 -0.788 1.00 0.00 H new ATOM 0 HB2 GLU A 115 11.790 11.456 -3.762 1.00 0.00 H new ATOM 0 HB3 GLU A 115 13.291 11.965 -3.015 1.00 0.00 H new ATOM 0 HG2 GLU A 115 13.139 9.875 -1.527 1.00 0.00 H new ATOM 0 HG3 GLU A 115 11.799 9.349 -2.526 1.00 0.00 H new ATOM 1794 N MET A 116 12.272 14.420 -1.607 1.00 0.00 N ATOM 1795 CA MET A 116 12.302 15.862 -1.868 1.00 0.00 C ATOM 1796 C MET A 116 13.732 16.292 -2.213 1.00 0.00 C ATOM 1797 O MET A 116 14.690 15.820 -1.597 1.00 0.00 O ATOM 1798 CB MET A 116 11.819 16.629 -0.623 1.00 0.00 C ATOM 1799 CG MET A 116 10.424 16.243 -0.110 1.00 0.00 C ATOM 1800 SD MET A 116 10.036 17.064 1.460 1.00 0.00 S ATOM 1801 CE MET A 116 8.384 16.407 1.761 1.00 0.00 C ATOM 0 H MET A 116 13.065 14.113 -1.044 1.00 0.00 H new ATOM 0 HA MET A 116 11.643 16.088 -2.706 1.00 0.00 H new ATOM 0 HB2 MET A 116 12.539 16.473 0.181 1.00 0.00 H new ATOM 0 HB3 MET A 116 11.821 17.695 -0.851 1.00 0.00 H new ATOM 0 HG2 MET A 116 9.675 16.511 -0.855 1.00 0.00 H new ATOM 0 HG3 MET A 116 10.371 15.162 0.022 1.00 0.00 H new ATOM 0 HE1 MET A 116 7.995 16.814 2.695 1.00 0.00 H new ATOM 0 HE2 MET A 116 7.725 16.689 0.940 1.00 0.00 H new ATOM 0 HE3 MET A 116 8.432 15.320 1.831 1.00 0.00 H new ATOM 1811 N LEU A 117 13.875 17.194 -3.187 1.00 0.00 N ATOM 1812 CA LEU A 117 15.162 17.723 -3.654 1.00 0.00 C ATOM 1813 C LEU A 117 15.117 19.244 -3.890 1.00 0.00 C ATOM 1814 O LEU A 117 14.066 19.811 -4.197 1.00 0.00 O ATOM 1815 CB LEU A 117 15.567 16.990 -4.951 1.00 0.00 C ATOM 1816 CG LEU A 117 16.072 15.541 -4.796 1.00 0.00 C ATOM 1817 CD1 LEU A 117 16.484 15.002 -6.168 1.00 0.00 C ATOM 1818 CD2 LEU A 117 17.303 15.422 -3.891 1.00 0.00 C ATOM 0 H LEU A 117 13.078 17.588 -3.687 1.00 0.00 H new ATOM 0 HA LEU A 117 15.904 17.547 -2.875 1.00 0.00 H new ATOM 0 HB2 LEU A 117 14.707 16.981 -5.620 1.00 0.00 H new ATOM 0 HB3 LEU A 117 16.347 17.572 -5.442 1.00 0.00 H new ATOM 0 HG LEU A 117 15.252 14.980 -4.349 1.00 0.00 H new ATOM 0 HD11 LEU A 117 16.842 13.978 -6.064 1.00 0.00 H new ATOM 0 HD12 LEU A 117 15.625 15.020 -6.839 1.00 0.00 H new ATOM 0 HD13 LEU A 117 17.279 15.624 -6.580 1.00 0.00 H new ATOM 0 HD21 LEU A 117 17.606 14.377 -3.825 1.00 0.00 H new ATOM 0 HD22 LEU A 117 18.120 16.011 -4.308 1.00 0.00 H new ATOM 0 HD23 LEU A 117 17.060 15.793 -2.895 1.00 0.00 H new ATOM 1830 N ALA A 118 16.286 19.886 -3.778 1.00 0.00 N ATOM 1831 CA ALA A 118 16.498 21.323 -4.005 1.00 0.00 C ATOM 1832 C ALA A 118 17.847 21.676 -4.680 1.00 0.00 C ATOM 1833 O ALA A 118 18.032 22.805 -5.140 1.00 0.00 O ATOM 1834 CB ALA A 118 16.375 22.028 -2.648 1.00 0.00 C ATOM 0 H ALA A 118 17.144 19.401 -3.517 1.00 0.00 H new ATOM 0 HA ALA A 118 15.741 21.663 -4.712 1.00 0.00 H new ATOM 0 HB1 ALA A 118 16.527 23.099 -2.779 1.00 0.00 H new ATOM 0 HB2 ALA A 118 15.382 21.851 -2.234 1.00 0.00 H new ATOM 0 HB3 ALA A 118 17.128 21.636 -1.965 1.00 0.00 H new ATOM 1840 N GLU A 119 18.799 20.737 -4.751 1.00 0.00 N ATOM 1841 CA GLU A 119 20.129 20.924 -5.355 1.00 0.00 C ATOM 1842 C GLU A 119 20.056 21.230 -6.864 1.00 0.00 C ATOM 1843 O GLU A 119 19.459 20.482 -7.651 1.00 0.00 O ATOM 1844 CB GLU A 119 20.998 19.683 -5.062 1.00 0.00 C ATOM 1845 CG GLU A 119 22.435 19.758 -5.604 1.00 0.00 C ATOM 1846 CD GLU A 119 23.225 20.944 -5.019 1.00 0.00 C ATOM 1847 OE1 GLU A 119 23.171 22.052 -5.605 1.00 0.00 O ATOM 1848 OE2 GLU A 119 23.899 20.781 -3.973 1.00 0.00 O ATOM 0 H GLU A 119 18.663 19.797 -4.379 1.00 0.00 H new ATOM 0 HA GLU A 119 20.592 21.800 -4.902 1.00 0.00 H new ATOM 0 HB2 GLU A 119 21.039 19.533 -3.983 1.00 0.00 H new ATOM 0 HB3 GLU A 119 20.510 18.806 -5.488 1.00 0.00 H new ATOM 0 HG2 GLU A 119 22.956 18.829 -5.373 1.00 0.00 H new ATOM 0 HG3 GLU A 119 22.406 19.845 -6.690 1.00 0.00 H new TER 1855 GLU A 119 HETATM 1856 ZN ZN A 120 -3.921 -22.364 11.753 1.00 0.00 ZN