USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 590 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 136:sc= -0.129 (180deg=-0.707) USER MOD Single : A 1 MET N :NH3+ 170:sc=-0.00874 (180deg=-0.136) USER MOD Single : A 3 SER OG : rot 180:sc= 0.0412 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0.492 USER MOD Single : A 15 SER OG : rot 180:sc= -0.0825 USER MOD Single : A 20 LYS NZ :NH3+ -173:sc= -0.498 (180deg=-0.732) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot -30:sc= 0.37 USER MOD Single : A 26 LYS NZ :NH3+ -154:sc= 0.673 (180deg=0.273) USER MOD Single : A 29 GLN : amide:sc= -1.01 K(o=-1,f=-0.0037) USER MOD Single : A 31 HIS : no HD1:sc= -0.38 X(o=-0.38,f=-0.27) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -6.64! C(o=-6.6!,f=-5.8!) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0.01) USER MOD Single : A 39 LYS NZ :NH3+ 140:sc= 0.943 (180deg=0.661) USER MOD Single : A 44 LYS NZ :NH3+ -176:sc= 1.06 (180deg=0.787) USER MOD Single : A 45 LYS NZ :NH3+ -178:sc= 1.26 (180deg=1.24) USER MOD Single : A 47 LYS NZ :NH3+ -176:sc= 1.17 (180deg=1.12) USER MOD Single : A 53 TYR OH : rot 130:sc= -0.124 USER MOD Single : A 57 SER OG : rot 98:sc= 1.25 USER MOD Single : A 59 LYS NZ :NH3+ 159:sc= -0.138 (180deg=-0.582) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.888 8.661 11.952 1.00 0.00 N ATOM 2 CA MET A 1 -8.032 7.240 12.330 1.00 0.00 C ATOM 3 C MET A 1 -8.483 6.419 11.127 1.00 0.00 C ATOM 4 O MET A 1 -9.513 6.708 10.514 1.00 0.00 O ATOM 5 CB MET A 1 -9.026 7.091 13.492 1.00 0.00 C ATOM 6 CG MET A 1 -10.429 7.596 13.186 1.00 0.00 C ATOM 7 SD MET A 1 -11.540 7.479 14.603 1.00 0.00 S ATOM 8 CE MET A 1 -10.750 8.612 15.745 1.00 0.00 C ATOM 0 H1 MET A 1 -7.747 9.235 12.808 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.068 8.771 11.322 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.748 8.978 11.460 1.00 0.00 H new ATOM 0 HA MET A 1 -7.063 6.866 12.661 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.084 6.039 13.772 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.639 7.630 14.357 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.373 8.634 12.859 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.844 7.023 12.357 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.506 9.240 16.216 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.220 8.046 16.511 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.042 9.240 15.204 1.00 0.00 H new ATOM 20 N ALA A 2 -7.705 5.403 10.780 1.00 0.00 N ATOM 21 CA ALA A 2 -8.003 4.587 9.612 1.00 0.00 C ATOM 22 C ALA A 2 -7.188 3.304 9.607 1.00 0.00 C ATOM 23 O ALA A 2 -5.998 3.303 9.927 1.00 0.00 O ATOM 24 CB ALA A 2 -7.733 5.372 8.334 1.00 0.00 C ATOM 0 H ALA A 2 -6.866 5.125 11.289 1.00 0.00 H new ATOM 0 HA ALA A 2 -9.059 4.321 9.657 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -7.960 4.749 7.469 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -8.361 6.263 8.315 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -6.684 5.667 8.303 1.00 0.00 H new ATOM 30 N SER A 3 -7.847 2.215 9.242 1.00 0.00 N ATOM 31 CA SER A 3 -7.188 0.934 9.050 1.00 0.00 C ATOM 32 C SER A 3 -6.344 0.961 7.778 1.00 0.00 C ATOM 33 O SER A 3 -5.330 0.273 7.670 1.00 0.00 O ATOM 34 CB SER A 3 -8.240 -0.172 8.973 1.00 0.00 C ATOM 35 OG SER A 3 -9.320 0.219 8.136 1.00 0.00 O ATOM 0 H SER A 3 -8.852 2.195 9.071 1.00 0.00 H new ATOM 0 HA SER A 3 -6.527 0.737 9.894 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.787 -1.085 8.588 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.611 -0.398 9.973 1.00 0.00 H new ATOM 0 HG SER A 3 -9.982 -0.502 8.098 1.00 0.00 H new ATOM 41 N TYR A 4 -6.769 1.779 6.819 1.00 0.00 N ATOM 42 CA TYR A 4 -6.020 1.975 5.584 1.00 0.00 C ATOM 43 C TYR A 4 -4.711 2.702 5.883 1.00 0.00 C ATOM 44 O TYR A 4 -3.721 2.552 5.169 1.00 0.00 O ATOM 45 CB TYR A 4 -6.848 2.786 4.583 1.00 0.00 C ATOM 46 CG TYR A 4 -8.234 2.229 4.337 1.00 0.00 C ATOM 47 CD1 TYR A 4 -8.444 1.205 3.422 1.00 0.00 C ATOM 48 CD2 TYR A 4 -9.335 2.737 5.016 1.00 0.00 C ATOM 49 CE1 TYR A 4 -9.711 0.704 3.190 1.00 0.00 C ATOM 50 CE2 TYR A 4 -10.604 2.239 4.793 1.00 0.00 C ATOM 51 CZ TYR A 4 -10.787 1.223 3.879 1.00 0.00 C ATOM 52 OH TYR A 4 -12.053 0.731 3.652 1.00 0.00 O ATOM 0 H TYR A 4 -7.633 2.319 6.875 1.00 0.00 H new ATOM 0 HA TYR A 4 -5.799 1.000 5.148 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -6.938 3.810 4.947 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -6.312 2.830 3.635 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -7.603 0.794 2.883 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -9.196 3.535 5.730 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -9.858 -0.090 2.473 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -11.448 2.643 5.332 1.00 0.00 H new ATOM 0 HH TYR A 4 -12.695 1.206 4.220 1.00 0.00 H new ATOM 62 N TYR A 5 -4.722 3.482 6.957 1.00 0.00 N ATOM 63 CA TYR A 5 -3.532 4.185 7.414 1.00 0.00 C ATOM 64 C TYR A 5 -2.505 3.173 7.913 1.00 0.00 C ATOM 65 O TYR A 5 -1.298 3.377 7.789 1.00 0.00 O ATOM 66 CB TYR A 5 -3.912 5.168 8.530 1.00 0.00 C ATOM 67 CG TYR A 5 -2.779 6.045 9.016 1.00 0.00 C ATOM 68 CD1 TYR A 5 -2.510 7.263 8.408 1.00 0.00 C ATOM 69 CD2 TYR A 5 -1.991 5.663 10.094 1.00 0.00 C ATOM 70 CE1 TYR A 5 -1.487 8.074 8.856 1.00 0.00 C ATOM 71 CE2 TYR A 5 -0.966 6.467 10.546 1.00 0.00 C ATOM 72 CZ TYR A 5 -0.718 7.671 9.925 1.00 0.00 C ATOM 73 OH TYR A 5 0.301 8.479 10.378 1.00 0.00 O ATOM 0 H TYR A 5 -5.550 3.644 7.531 1.00 0.00 H new ATOM 0 HA TYR A 5 -3.095 4.748 6.589 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -4.720 5.807 8.173 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -4.303 4.602 9.376 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -3.112 7.582 7.570 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -2.184 4.721 10.586 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -1.291 9.019 8.371 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -0.360 6.154 11.383 1.00 0.00 H new ATOM 0 HH TYR A 5 0.745 8.050 11.139 1.00 0.00 H new ATOM 83 N GLU A 6 -3.009 2.080 8.476 1.00 0.00 N ATOM 84 CA GLU A 6 -2.162 1.008 8.972 1.00 0.00 C ATOM 85 C GLU A 6 -1.563 0.206 7.822 1.00 0.00 C ATOM 86 O GLU A 6 -0.371 -0.107 7.828 1.00 0.00 O ATOM 87 CB GLU A 6 -2.960 0.085 9.887 1.00 0.00 C ATOM 88 CG GLU A 6 -3.450 0.776 11.142 1.00 0.00 C ATOM 89 CD GLU A 6 -2.322 1.165 12.072 1.00 0.00 C ATOM 90 OE1 GLU A 6 -1.727 0.267 12.705 1.00 0.00 O ATOM 91 OE2 GLU A 6 -2.026 2.373 12.182 1.00 0.00 O ATOM 0 H GLU A 6 -4.008 1.915 8.599 1.00 0.00 H new ATOM 0 HA GLU A 6 -1.347 1.458 9.539 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -3.815 -0.310 9.339 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -2.339 -0.766 10.166 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -4.011 1.668 10.865 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -4.139 0.117 11.669 1.00 0.00 H new ATOM 98 N ILE A 7 -2.393 -0.111 6.826 1.00 0.00 N ATOM 99 CA ILE A 7 -1.956 -0.948 5.713 1.00 0.00 C ATOM 100 C ILE A 7 -0.964 -0.208 4.815 1.00 0.00 C ATOM 101 O ILE A 7 0.021 -0.788 4.362 1.00 0.00 O ATOM 102 CB ILE A 7 -3.155 -1.493 4.880 1.00 0.00 C ATOM 103 CG1 ILE A 7 -3.994 -0.369 4.260 1.00 0.00 C ATOM 104 CG2 ILE A 7 -4.039 -2.368 5.751 1.00 0.00 C ATOM 105 CD1 ILE A 7 -3.636 -0.037 2.823 1.00 0.00 C ATOM 0 H ILE A 7 -3.364 0.198 6.769 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.446 -1.807 6.149 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.737 -2.081 4.063 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -5.046 -0.652 4.303 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -3.880 0.529 4.867 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.874 -2.744 5.160 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.457 -3.207 6.133 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.421 -1.782 6.587 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -4.278 0.768 2.465 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.594 0.280 2.771 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.778 -0.920 2.199 1.00 0.00 H new ATOM 117 N LEU A 8 -1.218 1.070 4.565 1.00 0.00 N ATOM 118 CA LEU A 8 -0.302 1.877 3.775 1.00 0.00 C ATOM 119 C LEU A 8 0.530 2.774 4.688 1.00 0.00 C ATOM 120 O LEU A 8 1.568 2.349 5.205 1.00 0.00 O ATOM 121 CB LEU A 8 -1.066 2.697 2.732 1.00 0.00 C ATOM 122 CG LEU A 8 -0.205 3.352 1.650 1.00 0.00 C ATOM 123 CD1 LEU A 8 0.630 2.308 0.925 1.00 0.00 C ATOM 124 CD2 LEU A 8 -1.080 4.097 0.661 1.00 0.00 C ATOM 0 H LEU A 8 -2.045 1.566 4.896 1.00 0.00 H new ATOM 0 HA LEU A 8 0.378 1.215 3.239 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.795 2.048 2.248 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.626 3.477 3.248 1.00 0.00 H new ATOM 0 HG LEU A 8 0.468 4.062 2.131 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.235 2.794 0.160 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.283 1.805 1.638 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.029 1.576 0.457 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.454 4.558 -0.103 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.773 3.399 0.190 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.643 4.870 1.184 1.00 0.00 H new ATOM 136 N ASP A 9 0.040 3.999 4.894 1.00 0.00 N ATOM 137 CA ASP A 9 0.626 4.957 5.840 1.00 0.00 C ATOM 138 C ASP A 9 -0.075 6.313 5.743 1.00 0.00 C ATOM 139 O ASP A 9 0.309 7.268 6.417 1.00 0.00 O ATOM 140 CB ASP A 9 2.146 5.137 5.653 1.00 0.00 C ATOM 141 CG ASP A 9 2.548 5.690 4.300 1.00 0.00 C ATOM 142 OD1 ASP A 9 2.797 4.883 3.380 1.00 0.00 O ATOM 143 OD2 ASP A 9 2.671 6.928 4.165 1.00 0.00 O ATOM 0 H ASP A 9 -0.781 4.358 4.406 1.00 0.00 H new ATOM 0 HA ASP A 9 0.472 4.536 6.834 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.519 5.804 6.430 1.00 0.00 H new ATOM 0 HB3 ASP A 9 2.635 4.173 5.798 1.00 0.00 H new ATOM 148 N VAL A 10 -1.117 6.390 4.912 1.00 0.00 N ATOM 149 CA VAL A 10 -1.916 7.606 4.786 1.00 0.00 C ATOM 150 C VAL A 10 -3.382 7.336 5.128 1.00 0.00 C ATOM 151 O VAL A 10 -3.855 6.203 5.016 1.00 0.00 O ATOM 152 CB VAL A 10 -1.832 8.206 3.364 1.00 0.00 C ATOM 153 CG1 VAL A 10 -0.443 8.761 3.091 1.00 0.00 C ATOM 154 CG2 VAL A 10 -2.215 7.169 2.317 1.00 0.00 C ATOM 0 H VAL A 10 -1.426 5.622 4.316 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.502 8.325 5.493 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.543 9.030 3.302 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.409 9.178 2.084 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.215 9.543 3.815 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.292 7.961 3.177 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.149 7.613 1.324 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.535 6.319 2.381 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.236 6.831 2.496 1.00 0.00 H new ATOM 164 N PRO A 11 -4.112 8.377 5.569 1.00 0.00 N ATOM 165 CA PRO A 11 -5.533 8.268 5.929 1.00 0.00 C ATOM 166 C PRO A 11 -6.427 8.008 4.719 1.00 0.00 C ATOM 167 O PRO A 11 -6.044 8.252 3.578 1.00 0.00 O ATOM 168 CB PRO A 11 -5.854 9.636 6.535 1.00 0.00 C ATOM 169 CG PRO A 11 -4.855 10.560 5.937 1.00 0.00 C ATOM 170 CD PRO A 11 -3.603 9.749 5.759 1.00 0.00 C ATOM 0 HA PRO A 11 -5.713 7.430 6.603 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.872 9.945 6.296 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -5.773 9.616 7.622 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -5.207 10.951 4.982 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -4.677 11.417 6.587 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -3.024 10.086 4.899 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -2.951 9.819 6.630 1.00 0.00 H new ATOM 178 N ARG A 12 -7.638 7.528 4.994 1.00 0.00 N ATOM 179 CA ARG A 12 -8.578 7.126 3.947 1.00 0.00 C ATOM 180 C ARG A 12 -9.098 8.314 3.141 1.00 0.00 C ATOM 181 O ARG A 12 -9.587 8.149 2.029 1.00 0.00 O ATOM 182 CB ARG A 12 -9.752 6.347 4.552 1.00 0.00 C ATOM 183 CG ARG A 12 -10.376 6.972 5.800 1.00 0.00 C ATOM 184 CD ARG A 12 -11.270 8.159 5.467 1.00 0.00 C ATOM 185 NE ARG A 12 -12.370 7.791 4.577 1.00 0.00 N ATOM 186 CZ ARG A 12 -13.015 8.653 3.787 1.00 0.00 C ATOM 187 NH1 ARG A 12 -12.668 9.933 3.770 1.00 0.00 N ATOM 188 NH2 ARG A 12 -14.013 8.235 3.021 1.00 0.00 N ATOM 0 H ARG A 12 -7.995 7.407 5.942 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.030 6.482 3.259 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -10.527 6.241 3.792 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -9.410 5.342 4.801 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.959 6.218 6.328 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -9.585 7.295 6.476 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -11.675 8.576 6.389 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -10.673 8.941 4.999 1.00 0.00 H new ATOM 0 HE ARG A 12 -12.663 6.814 4.558 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -11.906 10.263 4.362 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -13.164 10.588 3.165 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -14.290 7.253 3.034 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -14.504 8.895 2.418 1.00 0.00 H new ATOM 202 N SER A 13 -8.994 9.501 3.718 1.00 0.00 N ATOM 203 CA SER A 13 -9.455 10.721 3.066 1.00 0.00 C ATOM 204 C SER A 13 -8.468 11.187 1.998 1.00 0.00 C ATOM 205 O SER A 13 -8.701 12.178 1.306 1.00 0.00 O ATOM 206 CB SER A 13 -9.656 11.818 4.109 1.00 0.00 C ATOM 207 OG SER A 13 -10.527 11.378 5.141 1.00 0.00 O ATOM 0 H SER A 13 -8.591 9.648 4.644 1.00 0.00 H new ATOM 0 HA SER A 13 -10.404 10.508 2.574 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.694 12.102 4.535 1.00 0.00 H new ATOM 0 HB3 SER A 13 -10.069 12.708 3.633 1.00 0.00 H new ATOM 0 HG SER A 13 -10.642 12.094 5.800 1.00 0.00 H new ATOM 213 N ALA A 14 -7.365 10.468 1.873 1.00 0.00 N ATOM 214 CA ALA A 14 -6.364 10.775 0.885 1.00 0.00 C ATOM 215 C ALA A 14 -6.847 10.367 -0.504 1.00 0.00 C ATOM 216 O ALA A 14 -7.541 9.357 -0.664 1.00 0.00 O ATOM 217 CB ALA A 14 -5.077 10.060 1.246 1.00 0.00 C ATOM 0 H ALA A 14 -7.146 9.659 2.455 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.180 11.849 0.869 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.313 10.287 0.502 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.739 10.393 2.227 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.252 8.984 1.269 1.00 0.00 H new ATOM 223 N SER A 15 -6.496 11.163 -1.498 1.00 0.00 N ATOM 224 CA SER A 15 -6.886 10.891 -2.868 1.00 0.00 C ATOM 225 C SER A 15 -5.883 9.953 -3.517 1.00 0.00 C ATOM 226 O SER A 15 -4.851 9.640 -2.925 1.00 0.00 O ATOM 227 CB SER A 15 -6.998 12.204 -3.652 1.00 0.00 C ATOM 228 OG SER A 15 -7.490 11.985 -4.966 1.00 0.00 O ATOM 0 H SER A 15 -5.938 12.008 -1.380 1.00 0.00 H new ATOM 0 HA SER A 15 -7.862 10.405 -2.875 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.661 12.889 -3.124 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.020 12.683 -3.704 1.00 0.00 H new ATOM 0 HG SER A 15 -7.551 12.841 -5.439 1.00 0.00 H new ATOM 234 N ALA A 16 -6.185 9.504 -4.720 1.00 0.00 N ATOM 235 CA ALA A 16 -5.346 8.529 -5.416 1.00 0.00 C ATOM 236 C ALA A 16 -3.880 8.975 -5.470 1.00 0.00 C ATOM 237 O ALA A 16 -2.972 8.164 -5.286 1.00 0.00 O ATOM 238 CB ALA A 16 -5.879 8.284 -6.817 1.00 0.00 C ATOM 0 H ALA A 16 -7.009 9.797 -5.244 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.383 7.597 -4.852 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.246 7.556 -7.325 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.897 7.900 -6.757 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.877 9.220 -7.376 1.00 0.00 H new ATOM 244 N ASP A 17 -3.662 10.268 -5.693 1.00 0.00 N ATOM 245 CA ASP A 17 -2.312 10.827 -5.741 1.00 0.00 C ATOM 246 C ASP A 17 -1.619 10.718 -4.390 1.00 0.00 C ATOM 247 O ASP A 17 -0.434 10.395 -4.314 1.00 0.00 O ATOM 248 CB ASP A 17 -2.346 12.292 -6.179 1.00 0.00 C ATOM 249 CG ASP A 17 -2.599 12.456 -7.662 1.00 0.00 C ATOM 250 OD1 ASP A 17 -3.769 12.335 -8.089 1.00 0.00 O ATOM 251 OD2 ASP A 17 -1.631 12.714 -8.406 1.00 0.00 O ATOM 0 H ASP A 17 -4.404 10.951 -5.844 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.747 10.247 -6.471 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.124 12.815 -5.623 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -1.398 12.765 -5.922 1.00 0.00 H new ATOM 256 N ASP A 18 -2.365 10.985 -3.326 1.00 0.00 N ATOM 257 CA ASP A 18 -1.830 10.916 -1.970 1.00 0.00 C ATOM 258 C ASP A 18 -1.373 9.497 -1.655 1.00 0.00 C ATOM 259 O ASP A 18 -0.299 9.286 -1.091 1.00 0.00 O ATOM 260 CB ASP A 18 -2.886 11.346 -0.950 1.00 0.00 C ATOM 261 CG ASP A 18 -3.464 12.722 -1.224 1.00 0.00 C ATOM 262 OD1 ASP A 18 -4.237 12.864 -2.193 1.00 0.00 O ATOM 263 OD2 ASP A 18 -3.175 13.662 -0.455 1.00 0.00 O ATOM 0 H ASP A 18 -3.348 11.253 -3.375 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.979 11.594 -1.907 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -3.694 10.615 -0.945 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.443 11.338 0.046 1.00 0.00 H new ATOM 268 N ILE A 19 -2.198 8.523 -2.029 1.00 0.00 N ATOM 269 CA ILE A 19 -1.853 7.115 -1.860 1.00 0.00 C ATOM 270 C ILE A 19 -0.635 6.757 -2.713 1.00 0.00 C ATOM 271 O ILE A 19 0.242 6.009 -2.282 1.00 0.00 O ATOM 272 CB ILE A 19 -3.049 6.189 -2.208 1.00 0.00 C ATOM 273 CG1 ILE A 19 -4.034 6.126 -1.047 1.00 0.00 C ATOM 274 CG2 ILE A 19 -2.592 4.791 -2.573 1.00 0.00 C ATOM 275 CD1 ILE A 19 -4.967 7.301 -0.999 1.00 0.00 C ATOM 0 H ILE A 19 -3.112 8.684 -2.452 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.607 6.958 -0.810 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.546 6.618 -3.078 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.618 5.209 -1.124 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.479 6.072 -0.110 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.459 4.175 -2.810 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.933 4.838 -3.440 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.054 4.353 -1.732 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.642 7.195 -0.150 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.390 8.220 -0.892 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.547 7.343 -1.921 1.00 0.00 H new ATOM 287 N LYS A 20 -0.578 7.321 -3.917 1.00 0.00 N ATOM 288 CA LYS A 20 0.549 7.103 -4.818 1.00 0.00 C ATOM 289 C LYS A 20 1.833 7.636 -4.180 1.00 0.00 C ATOM 290 O LYS A 20 2.907 7.055 -4.338 1.00 0.00 O ATOM 291 CB LYS A 20 0.295 7.788 -6.168 1.00 0.00 C ATOM 292 CG LYS A 20 1.323 7.436 -7.239 1.00 0.00 C ATOM 293 CD LYS A 20 1.197 5.986 -7.692 1.00 0.00 C ATOM 294 CE LYS A 20 0.296 5.832 -8.917 1.00 0.00 C ATOM 295 NZ LYS A 20 -1.079 6.357 -8.696 1.00 0.00 N ATOM 0 H LYS A 20 -1.302 7.934 -4.291 1.00 0.00 H new ATOM 0 HA LYS A 20 0.660 6.033 -4.994 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.697 7.511 -6.525 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.291 8.868 -6.022 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.195 8.097 -8.096 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.326 7.609 -6.850 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.187 5.593 -7.922 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.798 5.386 -6.874 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.747 6.354 -9.761 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.237 4.778 -9.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.677 6.120 -9.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.481 5.928 -7.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.042 7.390 -8.582 1.00 0.00 H new ATOM 309 N LYS A 21 1.704 8.742 -3.454 1.00 0.00 N ATOM 310 CA LYS A 21 2.816 9.319 -2.708 1.00 0.00 C ATOM 311 C LYS A 21 3.289 8.375 -1.610 1.00 0.00 C ATOM 312 O LYS A 21 4.489 8.138 -1.458 1.00 0.00 O ATOM 313 CB LYS A 21 2.400 10.653 -2.095 1.00 0.00 C ATOM 314 CG LYS A 21 2.338 11.798 -3.089 1.00 0.00 C ATOM 315 CD LYS A 21 3.707 12.415 -3.323 1.00 0.00 C ATOM 316 CE LYS A 21 4.621 11.527 -4.146 1.00 0.00 C ATOM 317 NZ LYS A 21 5.938 12.175 -4.374 1.00 0.00 N ATOM 0 H LYS A 21 0.830 9.261 -3.367 1.00 0.00 H new ATOM 0 HA LYS A 21 3.640 9.480 -3.403 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.422 10.537 -1.629 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.102 10.911 -1.302 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.935 11.437 -4.035 1.00 0.00 H new ATOM 0 HG3 LYS A 21 1.653 12.562 -2.722 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.587 13.373 -3.829 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.177 12.620 -2.361 1.00 0.00 H new ATOM 0 HE2 LYS A 21 4.765 10.575 -3.634 1.00 0.00 H new ATOM 0 HE3 LYS A 21 4.151 11.306 -5.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.542 11.545 -4.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.800 13.071 -4.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.395 12.363 -3.459 1.00 0.00 H new ATOM 331 N ALA A 22 2.338 7.833 -0.857 1.00 0.00 N ATOM 332 CA ALA A 22 2.649 6.899 0.219 1.00 0.00 C ATOM 333 C ALA A 22 3.284 5.633 -0.338 1.00 0.00 C ATOM 334 O ALA A 22 4.202 5.064 0.255 1.00 0.00 O ATOM 335 CB ALA A 22 1.394 6.569 1.014 1.00 0.00 C ATOM 0 H ALA A 22 1.343 8.025 -0.972 1.00 0.00 H new ATOM 0 HA ALA A 22 3.366 7.371 0.891 1.00 0.00 H new ATOM 0 HB1 ALA A 22 1.643 5.871 1.813 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.985 7.483 1.445 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.654 6.116 0.354 1.00 0.00 H new ATOM 341 N TYR A 23 2.801 5.205 -1.493 1.00 0.00 N ATOM 342 CA TYR A 23 3.386 4.071 -2.184 1.00 0.00 C ATOM 343 C TYR A 23 4.826 4.367 -2.587 1.00 0.00 C ATOM 344 O TYR A 23 5.715 3.559 -2.344 1.00 0.00 O ATOM 345 CB TYR A 23 2.532 3.685 -3.402 1.00 0.00 C ATOM 346 CG TYR A 23 3.310 3.051 -4.543 1.00 0.00 C ATOM 347 CD1 TYR A 23 3.696 1.717 -4.502 1.00 0.00 C ATOM 348 CD2 TYR A 23 3.665 3.800 -5.659 1.00 0.00 C ATOM 349 CE1 TYR A 23 4.411 1.149 -5.540 1.00 0.00 C ATOM 350 CE2 TYR A 23 4.379 3.240 -6.698 1.00 0.00 C ATOM 351 CZ TYR A 23 4.751 1.915 -6.634 1.00 0.00 C ATOM 352 OH TYR A 23 5.467 1.357 -7.670 1.00 0.00 O ATOM 0 H TYR A 23 2.005 5.627 -1.971 1.00 0.00 H new ATOM 0 HA TYR A 23 3.403 3.221 -1.502 1.00 0.00 H new ATOM 0 HB2 TYR A 23 1.755 2.992 -3.080 1.00 0.00 H new ATOM 0 HB3 TYR A 23 2.029 4.577 -3.774 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.433 1.114 -3.645 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.377 4.839 -5.714 1.00 0.00 H new ATOM 0 HE1 TYR A 23 4.702 0.110 -5.494 1.00 0.00 H new ATOM 0 HE2 TYR A 23 4.645 3.837 -7.557 1.00 0.00 H new ATOM 0 HH TYR A 23 6.044 0.645 -7.323 1.00 0.00 H new ATOM 362 N ARG A 24 5.057 5.539 -3.166 1.00 0.00 N ATOM 363 CA ARG A 24 6.385 5.891 -3.661 1.00 0.00 C ATOM 364 C ARG A 24 7.392 6.067 -2.528 1.00 0.00 C ATOM 365 O ARG A 24 8.552 5.694 -2.674 1.00 0.00 O ATOM 366 CB ARG A 24 6.341 7.159 -4.521 1.00 0.00 C ATOM 367 CG ARG A 24 5.727 6.950 -5.891 1.00 0.00 C ATOM 368 CD ARG A 24 5.729 8.245 -6.672 1.00 0.00 C ATOM 369 NE ARG A 24 4.998 8.142 -7.935 1.00 0.00 N ATOM 370 CZ ARG A 24 4.908 9.133 -8.821 1.00 0.00 C ATOM 371 NH1 ARG A 24 5.606 10.248 -8.648 1.00 0.00 N ATOM 372 NH2 ARG A 24 4.166 8.985 -9.908 1.00 0.00 N ATOM 0 H ARG A 24 4.348 6.259 -3.304 1.00 0.00 H new ATOM 0 HA ARG A 24 6.716 5.057 -4.280 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.774 7.925 -3.992 1.00 0.00 H new ATOM 0 HB3 ARG A 24 7.355 7.540 -4.642 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.286 6.189 -6.435 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.706 6.582 -5.787 1.00 0.00 H new ATOM 0 HD2 ARG A 24 5.285 9.033 -6.063 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.758 8.541 -6.875 1.00 0.00 H new ATOM 0 HE ARG A 24 4.531 7.261 -8.150 1.00 0.00 H new ATOM 0 HH11 ARG A 24 6.214 10.348 -7.835 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.535 11.005 -9.328 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.663 8.112 -10.067 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.097 9.744 -10.586 1.00 0.00 H new ATOM 386 N ARG A 25 6.962 6.629 -1.402 1.00 0.00 N ATOM 387 CA ARG A 25 7.872 6.822 -0.276 1.00 0.00 C ATOM 388 C ARG A 25 8.270 5.475 0.315 1.00 0.00 C ATOM 389 O ARG A 25 9.437 5.246 0.646 1.00 0.00 O ATOM 390 CB ARG A 25 7.250 7.720 0.803 1.00 0.00 C ATOM 391 CG ARG A 25 6.044 7.110 1.500 1.00 0.00 C ATOM 392 CD ARG A 25 5.456 8.046 2.541 1.00 0.00 C ATOM 393 NE ARG A 25 5.053 9.320 1.956 1.00 0.00 N ATOM 394 CZ ARG A 25 3.883 9.909 2.188 1.00 0.00 C ATOM 395 NH1 ARG A 25 2.975 9.325 2.958 1.00 0.00 N ATOM 396 NH2 ARG A 25 3.606 11.077 1.623 1.00 0.00 N ATOM 0 H ARG A 25 6.008 6.954 -1.245 1.00 0.00 H new ATOM 0 HA ARG A 25 8.765 7.324 -0.648 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.009 7.951 1.550 1.00 0.00 H new ATOM 0 HB3 ARG A 25 6.953 8.665 0.347 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.282 6.866 0.760 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.336 6.174 1.977 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.594 7.572 3.010 1.00 0.00 H new ATOM 0 HD3 ARG A 25 6.190 8.223 3.327 1.00 0.00 H new ATOM 0 HE ARG A 25 5.709 9.788 1.330 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.171 8.416 3.378 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.081 9.784 3.130 1.00 0.00 H new ATOM 0 HH21 ARG A 25 4.290 11.523 1.011 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.709 11.529 1.800 1.00 0.00 H new ATOM 410 N LYS A 26 7.301 4.576 0.412 1.00 0.00 N ATOM 411 CA LYS A 26 7.532 3.254 0.945 1.00 0.00 C ATOM 412 C LYS A 26 8.375 2.447 -0.038 1.00 0.00 C ATOM 413 O LYS A 26 9.315 1.751 0.345 1.00 0.00 O ATOM 414 CB LYS A 26 6.182 2.589 1.180 1.00 0.00 C ATOM 415 CG LYS A 26 6.258 1.281 1.927 1.00 0.00 C ATOM 416 CD LYS A 26 4.890 0.629 2.013 1.00 0.00 C ATOM 417 CE LYS A 26 3.859 1.515 2.710 1.00 0.00 C ATOM 418 NZ LYS A 26 4.271 1.919 4.080 1.00 0.00 N ATOM 0 H LYS A 26 6.338 4.748 0.123 1.00 0.00 H new ATOM 0 HA LYS A 26 8.075 3.309 1.889 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.544 3.275 1.736 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.702 2.417 0.217 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.955 0.610 1.424 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.648 1.452 2.930 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.540 0.393 1.008 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.975 -0.315 2.551 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.691 2.409 2.109 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.909 0.984 2.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.426 2.117 4.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.815 1.149 4.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.861 2.773 4.027 1.00 0.00 H new ATOM 432 N ALA A 27 8.032 2.580 -1.313 1.00 0.00 N ATOM 433 CA ALA A 27 8.775 1.953 -2.399 1.00 0.00 C ATOM 434 C ALA A 27 10.237 2.384 -2.394 1.00 0.00 C ATOM 435 O ALA A 27 11.131 1.561 -2.555 1.00 0.00 O ATOM 436 CB ALA A 27 8.143 2.297 -3.741 1.00 0.00 C ATOM 0 H ALA A 27 7.229 3.127 -1.624 1.00 0.00 H new ATOM 0 HA ALA A 27 8.735 0.874 -2.246 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.709 1.822 -4.542 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.114 1.938 -3.761 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.153 3.378 -3.882 1.00 0.00 H new ATOM 442 N LEU A 28 10.470 3.683 -2.214 1.00 0.00 N ATOM 443 CA LEU A 28 11.823 4.231 -2.211 1.00 0.00 C ATOM 444 C LEU A 28 12.659 3.638 -1.088 1.00 0.00 C ATOM 445 O LEU A 28 13.797 3.222 -1.306 1.00 0.00 O ATOM 446 CB LEU A 28 11.783 5.754 -2.081 1.00 0.00 C ATOM 447 CG LEU A 28 12.092 6.534 -3.365 1.00 0.00 C ATOM 448 CD1 LEU A 28 13.549 6.360 -3.758 1.00 0.00 C ATOM 449 CD2 LEU A 28 11.183 6.089 -4.503 1.00 0.00 C ATOM 0 H LEU A 28 9.736 4.376 -2.068 1.00 0.00 H new ATOM 0 HA LEU A 28 12.289 3.965 -3.160 1.00 0.00 H new ATOM 0 HB2 LEU A 28 10.794 6.045 -1.729 1.00 0.00 H new ATOM 0 HB3 LEU A 28 12.496 6.055 -1.313 1.00 0.00 H new ATOM 0 HG LEU A 28 11.906 7.590 -3.170 1.00 0.00 H new ATOM 0 HD11 LEU A 28 13.749 6.921 -4.671 1.00 0.00 H new ATOM 0 HD12 LEU A 28 14.189 6.731 -2.957 1.00 0.00 H new ATOM 0 HD13 LEU A 28 13.756 5.304 -3.928 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.422 6.657 -5.402 1.00 0.00 H new ATOM 0 HD22 LEU A 28 11.333 5.026 -4.694 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.143 6.265 -4.228 1.00 0.00 H new ATOM 461 N GLN A 29 12.082 3.583 0.106 1.00 0.00 N ATOM 462 CA GLN A 29 12.792 3.090 1.280 1.00 0.00 C ATOM 463 C GLN A 29 13.180 1.621 1.113 1.00 0.00 C ATOM 464 O GLN A 29 14.212 1.178 1.617 1.00 0.00 O ATOM 465 CB GLN A 29 11.930 3.269 2.531 1.00 0.00 C ATOM 466 CG GLN A 29 12.640 2.906 3.825 1.00 0.00 C ATOM 467 CD GLN A 29 11.755 3.077 5.046 1.00 0.00 C ATOM 468 OE1 GLN A 29 11.904 2.361 6.038 1.00 0.00 O ATOM 469 NE2 GLN A 29 10.827 4.025 4.989 1.00 0.00 N ATOM 0 H GLN A 29 11.122 3.875 0.287 1.00 0.00 H new ATOM 0 HA GLN A 29 13.707 3.671 1.391 1.00 0.00 H new ATOM 0 HB2 GLN A 29 11.600 4.306 2.588 1.00 0.00 H new ATOM 0 HB3 GLN A 29 11.035 2.655 2.434 1.00 0.00 H new ATOM 0 HG2 GLN A 29 12.981 1.872 3.770 1.00 0.00 H new ATOM 0 HG3 GLN A 29 13.528 3.529 3.935 1.00 0.00 H new ATOM 0 HE21 GLN A 29 10.734 4.598 4.150 1.00 0.00 H new ATOM 0 HE22 GLN A 29 10.207 4.180 5.784 1.00 0.00 H new ATOM 478 N TRP A 30 12.360 0.876 0.387 1.00 0.00 N ATOM 479 CA TRP A 30 12.607 -0.545 0.180 1.00 0.00 C ATOM 480 C TRP A 30 13.103 -0.822 -1.239 1.00 0.00 C ATOM 481 O TRP A 30 13.006 -1.939 -1.737 1.00 0.00 O ATOM 482 CB TRP A 30 11.352 -1.364 0.482 1.00 0.00 C ATOM 483 CG TRP A 30 10.923 -1.293 1.920 1.00 0.00 C ATOM 484 CD1 TRP A 30 10.107 -0.358 2.492 1.00 0.00 C ATOM 485 CD2 TRP A 30 11.296 -2.195 2.967 1.00 0.00 C ATOM 486 NE1 TRP A 30 9.953 -0.625 3.832 1.00 0.00 N ATOM 487 CE2 TRP A 30 10.669 -1.749 4.146 1.00 0.00 C ATOM 488 CE3 TRP A 30 12.096 -3.339 3.022 1.00 0.00 C ATOM 489 CZ2 TRP A 30 10.823 -2.406 5.363 1.00 0.00 C ATOM 490 CZ3 TRP A 30 12.245 -3.993 4.229 1.00 0.00 C ATOM 491 CH2 TRP A 30 11.610 -3.526 5.387 1.00 0.00 C ATOM 0 H TRP A 30 11.519 1.230 -0.068 1.00 0.00 H new ATOM 0 HA TRP A 30 13.391 -0.849 0.873 1.00 0.00 H new ATOM 0 HB2 TRP A 30 10.537 -1.012 -0.150 1.00 0.00 H new ATOM 0 HB3 TRP A 30 11.534 -2.405 0.216 1.00 0.00 H new ATOM 0 HD1 TRP A 30 9.650 0.469 1.969 1.00 0.00 H new ATOM 0 HE1 TRP A 30 9.396 -0.075 4.486 1.00 0.00 H new ATOM 0 HE3 TRP A 30 12.590 -3.706 2.135 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 10.338 -2.045 6.258 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 12.861 -4.879 4.281 1.00 0.00 H new ATOM 0 HH2 TRP A 30 11.744 -4.060 6.316 1.00 0.00 H new ATOM 502 N HIS A 31 13.595 0.204 -1.909 1.00 0.00 N ATOM 503 CA HIS A 31 14.224 0.021 -3.211 1.00 0.00 C ATOM 504 C HIS A 31 15.676 -0.388 -3.038 1.00 0.00 C ATOM 505 O HIS A 31 16.347 0.092 -2.135 1.00 0.00 O ATOM 506 CB HIS A 31 14.146 1.302 -4.044 1.00 0.00 C ATOM 507 CG HIS A 31 13.019 1.319 -5.029 1.00 0.00 C ATOM 508 ND1 HIS A 31 12.724 2.412 -5.809 1.00 0.00 N ATOM 509 CD2 HIS A 31 12.127 0.360 -5.376 1.00 0.00 C ATOM 510 CE1 HIS A 31 11.703 2.129 -6.594 1.00 0.00 C ATOM 511 NE2 HIS A 31 11.318 0.887 -6.355 1.00 0.00 N ATOM 0 H HIS A 31 13.573 1.169 -1.578 1.00 0.00 H new ATOM 0 HA HIS A 31 13.685 -0.767 -3.737 1.00 0.00 H new ATOM 0 HB2 HIS A 31 14.041 2.154 -3.373 1.00 0.00 H new ATOM 0 HB3 HIS A 31 15.086 1.432 -4.580 1.00 0.00 H new ATOM 0 HD2 HIS A 31 12.063 -0.635 -4.960 1.00 0.00 H new ATOM 0 HE1 HIS A 31 11.256 2.800 -7.312 1.00 0.00 H new ATOM 0 HE2 HIS A 31 10.550 0.401 -6.819 1.00 0.00 H new ATOM 520 N PRO A 32 16.178 -1.269 -3.924 1.00 0.00 N ATOM 521 CA PRO A 32 17.576 -1.734 -3.911 1.00 0.00 C ATOM 522 C PRO A 32 18.563 -0.574 -3.985 1.00 0.00 C ATOM 523 O PRO A 32 19.721 -0.693 -3.587 1.00 0.00 O ATOM 524 CB PRO A 32 17.688 -2.617 -5.162 1.00 0.00 C ATOM 525 CG PRO A 32 16.496 -2.281 -5.988 1.00 0.00 C ATOM 526 CD PRO A 32 15.420 -1.894 -5.017 1.00 0.00 C ATOM 0 HA PRO A 32 17.818 -2.264 -2.989 1.00 0.00 H new ATOM 0 HB2 PRO A 32 18.612 -2.415 -5.704 1.00 0.00 H new ATOM 0 HB3 PRO A 32 17.698 -3.674 -4.898 1.00 0.00 H new ATOM 0 HG2 PRO A 32 16.715 -1.464 -6.675 1.00 0.00 H new ATOM 0 HG3 PRO A 32 16.188 -3.133 -6.594 1.00 0.00 H new ATOM 0 HD2 PRO A 32 14.705 -1.202 -5.461 1.00 0.00 H new ATOM 0 HD3 PRO A 32 14.854 -2.760 -4.673 1.00 0.00 H new ATOM 534 N ASP A 33 18.103 0.525 -4.567 1.00 0.00 N ATOM 535 CA ASP A 33 18.869 1.765 -4.624 1.00 0.00 C ATOM 536 C ASP A 33 19.199 2.276 -3.222 1.00 0.00 C ATOM 537 O ASP A 33 20.248 2.883 -3.001 1.00 0.00 O ATOM 538 CB ASP A 33 18.071 2.844 -5.364 1.00 0.00 C ATOM 539 CG ASP A 33 17.703 2.448 -6.776 1.00 0.00 C ATOM 540 OD1 ASP A 33 16.752 1.658 -6.947 1.00 0.00 O ATOM 541 OD2 ASP A 33 18.353 2.938 -7.723 1.00 0.00 O ATOM 0 H ASP A 33 17.188 0.583 -5.014 1.00 0.00 H new ATOM 0 HA ASP A 33 19.798 1.554 -5.154 1.00 0.00 H new ATOM 0 HB2 ASP A 33 17.161 3.061 -4.805 1.00 0.00 H new ATOM 0 HB3 ASP A 33 18.655 3.764 -5.392 1.00 0.00 H new ATOM 546 N LYS A 34 18.288 2.043 -2.283 1.00 0.00 N ATOM 547 CA LYS A 34 18.421 2.578 -0.936 1.00 0.00 C ATOM 548 C LYS A 34 18.626 1.467 0.094 1.00 0.00 C ATOM 549 O LYS A 34 19.292 1.668 1.111 1.00 0.00 O ATOM 550 CB LYS A 34 17.179 3.394 -0.582 1.00 0.00 C ATOM 551 CG LYS A 34 16.840 4.475 -1.602 1.00 0.00 C ATOM 552 CD LYS A 34 18.002 5.432 -1.814 1.00 0.00 C ATOM 553 CE LYS A 34 17.690 6.460 -2.890 1.00 0.00 C ATOM 554 NZ LYS A 34 18.849 7.352 -3.154 1.00 0.00 N ATOM 0 H LYS A 34 17.447 1.485 -2.433 1.00 0.00 H new ATOM 0 HA LYS A 34 19.302 3.219 -0.913 1.00 0.00 H new ATOM 0 HB2 LYS A 34 16.328 2.719 -0.485 1.00 0.00 H new ATOM 0 HB3 LYS A 34 17.328 3.861 0.392 1.00 0.00 H new ATOM 0 HG2 LYS A 34 16.574 4.009 -2.551 1.00 0.00 H new ATOM 0 HG3 LYS A 34 15.966 5.033 -1.265 1.00 0.00 H new ATOM 0 HD2 LYS A 34 18.230 5.942 -0.878 1.00 0.00 H new ATOM 0 HD3 LYS A 34 18.892 4.869 -2.095 1.00 0.00 H new ATOM 0 HE2 LYS A 34 17.408 5.949 -3.810 1.00 0.00 H new ATOM 0 HE3 LYS A 34 16.833 7.059 -2.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 18.597 8.039 -3.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 19.102 7.859 -2.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 19.660 6.783 -3.472 1.00 0.00 H new ATOM 568 N ASN A 35 18.074 0.298 -0.185 1.00 0.00 N ATOM 569 CA ASN A 35 18.168 -0.841 0.719 1.00 0.00 C ATOM 570 C ASN A 35 19.228 -1.800 0.173 1.00 0.00 C ATOM 571 O ASN A 35 19.222 -2.113 -1.017 1.00 0.00 O ATOM 572 CB ASN A 35 16.793 -1.531 0.815 1.00 0.00 C ATOM 573 CG ASN A 35 16.681 -2.507 1.979 1.00 0.00 C ATOM 574 OD1 ASN A 35 17.226 -2.283 3.057 1.00 0.00 O ATOM 575 ND2 ASN A 35 15.960 -3.597 1.773 1.00 0.00 N ATOM 0 H ASN A 35 17.550 0.110 -1.040 1.00 0.00 H new ATOM 0 HA ASN A 35 18.457 -0.521 1.720 1.00 0.00 H new ATOM 0 HB2 ASN A 35 16.020 -0.769 0.915 1.00 0.00 H new ATOM 0 HB3 ASN A 35 16.597 -2.064 -0.115 1.00 0.00 H new ATOM 0 HD21 ASN A 35 15.844 -4.281 2.521 1.00 0.00 H new ATOM 0 HD22 ASN A 35 15.520 -3.754 0.866 1.00 0.00 H new ATOM 582 N PRO A 36 20.150 -2.269 1.036 1.00 0.00 N ATOM 583 CA PRO A 36 21.369 -2.970 0.603 1.00 0.00 C ATOM 584 C PRO A 36 21.167 -4.404 0.094 1.00 0.00 C ATOM 585 O PRO A 36 20.492 -4.633 -0.910 1.00 0.00 O ATOM 586 CB PRO A 36 22.234 -2.966 1.865 1.00 0.00 C ATOM 587 CG PRO A 36 21.257 -2.944 2.985 1.00 0.00 C ATOM 588 CD PRO A 36 20.098 -2.120 2.503 1.00 0.00 C ATOM 0 HA PRO A 36 21.803 -2.470 -0.263 1.00 0.00 H new ATOM 0 HB2 PRO A 36 22.872 -3.849 1.912 1.00 0.00 H new ATOM 0 HB3 PRO A 36 22.890 -2.096 1.894 1.00 0.00 H new ATOM 0 HG2 PRO A 36 20.938 -3.953 3.245 1.00 0.00 H new ATOM 0 HG3 PRO A 36 21.700 -2.509 3.881 1.00 0.00 H new ATOM 0 HD2 PRO A 36 19.153 -2.481 2.909 1.00 0.00 H new ATOM 0 HD3 PRO A 36 20.196 -1.077 2.803 1.00 0.00 H new ATOM 596 N ASP A 37 21.736 -5.376 0.802 1.00 0.00 N ATOM 597 CA ASP A 37 21.888 -6.725 0.264 1.00 0.00 C ATOM 598 C ASP A 37 20.657 -7.588 0.486 1.00 0.00 C ATOM 599 O ASP A 37 20.579 -8.703 -0.026 1.00 0.00 O ATOM 600 CB ASP A 37 23.120 -7.410 0.852 1.00 0.00 C ATOM 601 CG ASP A 37 24.410 -6.826 0.316 1.00 0.00 C ATOM 602 OD1 ASP A 37 24.925 -5.856 0.918 1.00 0.00 O ATOM 603 OD2 ASP A 37 24.911 -7.324 -0.716 1.00 0.00 O ATOM 0 H ASP A 37 22.099 -5.255 1.748 1.00 0.00 H new ATOM 0 HA ASP A 37 22.017 -6.614 -0.813 1.00 0.00 H new ATOM 0 HB2 ASP A 37 23.103 -7.314 1.938 1.00 0.00 H new ATOM 0 HB3 ASP A 37 23.084 -8.476 0.625 1.00 0.00 H new ATOM 608 N ASN A 38 19.695 -7.093 1.237 1.00 0.00 N ATOM 609 CA ASN A 38 18.445 -7.814 1.389 1.00 0.00 C ATOM 610 C ASN A 38 17.390 -7.184 0.502 1.00 0.00 C ATOM 611 O ASN A 38 16.778 -6.180 0.859 1.00 0.00 O ATOM 612 CB ASN A 38 17.994 -7.823 2.847 1.00 0.00 C ATOM 613 CG ASN A 38 18.801 -8.790 3.692 1.00 0.00 C ATOM 614 OD1 ASN A 38 18.430 -9.954 3.848 1.00 0.00 O ATOM 615 ND2 ASN A 38 19.918 -8.327 4.227 1.00 0.00 N ATOM 0 H ASN A 38 19.750 -6.210 1.744 1.00 0.00 H new ATOM 0 HA ASN A 38 18.594 -8.850 1.086 1.00 0.00 H new ATOM 0 HB2 ASN A 38 18.086 -6.818 3.260 1.00 0.00 H new ATOM 0 HB3 ASN A 38 16.939 -8.093 2.897 1.00 0.00 H new ATOM 0 HD21 ASN A 38 20.506 -8.941 4.792 1.00 0.00 H new ATOM 0 HD22 ASN A 38 20.192 -7.356 4.075 1.00 0.00 H new ATOM 622 N LYS A 39 17.181 -7.781 -0.658 1.00 0.00 N ATOM 623 CA LYS A 39 16.256 -7.238 -1.631 1.00 0.00 C ATOM 624 C LYS A 39 14.948 -8.015 -1.661 1.00 0.00 C ATOM 625 O LYS A 39 13.923 -7.482 -2.069 1.00 0.00 O ATOM 626 CB LYS A 39 16.916 -7.225 -3.006 1.00 0.00 C ATOM 627 CG LYS A 39 18.166 -6.360 -3.054 1.00 0.00 C ATOM 628 CD LYS A 39 19.031 -6.701 -4.250 1.00 0.00 C ATOM 629 CE LYS A 39 20.274 -5.823 -4.318 1.00 0.00 C ATOM 630 NZ LYS A 39 21.156 -6.008 -3.133 1.00 0.00 N ATOM 0 H LYS A 39 17.642 -8.644 -0.948 1.00 0.00 H new ATOM 0 HA LYS A 39 16.009 -6.217 -1.341 1.00 0.00 H new ATOM 0 HB2 LYS A 39 17.175 -8.245 -3.289 1.00 0.00 H new ATOM 0 HB3 LYS A 39 16.200 -6.862 -3.744 1.00 0.00 H new ATOM 0 HG2 LYS A 39 17.881 -5.309 -3.098 1.00 0.00 H new ATOM 0 HG3 LYS A 39 18.740 -6.497 -2.138 1.00 0.00 H new ATOM 0 HD2 LYS A 39 19.328 -7.748 -4.197 1.00 0.00 H new ATOM 0 HD3 LYS A 39 18.450 -6.581 -5.165 1.00 0.00 H new ATOM 0 HE2 LYS A 39 20.832 -6.056 -5.225 1.00 0.00 H new ATOM 0 HE3 LYS A 39 19.975 -4.777 -4.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 22.151 -6.006 -3.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 20.998 -5.232 -2.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 20.936 -6.915 -2.675 1.00 0.00 H new ATOM 644 N GLU A 40 14.979 -9.267 -1.219 1.00 0.00 N ATOM 645 CA GLU A 40 13.780 -10.099 -1.239 1.00 0.00 C ATOM 646 C GLU A 40 12.733 -9.554 -0.275 1.00 0.00 C ATOM 647 O GLU A 40 11.540 -9.530 -0.574 1.00 0.00 O ATOM 648 CB GLU A 40 14.091 -11.548 -0.881 1.00 0.00 C ATOM 649 CG GLU A 40 12.954 -12.493 -1.236 1.00 0.00 C ATOM 650 CD GLU A 40 13.078 -13.847 -0.579 1.00 0.00 C ATOM 651 OE1 GLU A 40 14.041 -14.577 -0.884 1.00 0.00 O ATOM 652 OE2 GLU A 40 12.200 -14.190 0.237 1.00 0.00 O ATOM 0 H GLU A 40 15.811 -9.725 -0.846 1.00 0.00 H new ATOM 0 HA GLU A 40 13.389 -10.073 -2.256 1.00 0.00 H new ATOM 0 HB2 GLU A 40 14.996 -11.861 -1.402 1.00 0.00 H new ATOM 0 HB3 GLU A 40 14.298 -11.619 0.187 1.00 0.00 H new ATOM 0 HG2 GLU A 40 12.008 -12.039 -0.942 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.923 -12.623 -2.318 1.00 0.00 H new ATOM 659 N PHE A 41 13.187 -9.122 0.887 1.00 0.00 N ATOM 660 CA PHE A 41 12.302 -8.523 1.875 1.00 0.00 C ATOM 661 C PHE A 41 11.777 -7.192 1.358 1.00 0.00 C ATOM 662 O PHE A 41 10.619 -6.838 1.567 1.00 0.00 O ATOM 663 CB PHE A 41 13.032 -8.333 3.206 1.00 0.00 C ATOM 664 CG PHE A 41 13.524 -9.619 3.798 1.00 0.00 C ATOM 665 CD1 PHE A 41 12.671 -10.423 4.534 1.00 0.00 C ATOM 666 CD2 PHE A 41 14.832 -10.031 3.609 1.00 0.00 C ATOM 667 CE1 PHE A 41 13.114 -11.614 5.073 1.00 0.00 C ATOM 668 CE2 PHE A 41 15.281 -11.223 4.144 1.00 0.00 C ATOM 669 CZ PHE A 41 14.419 -12.015 4.878 1.00 0.00 C ATOM 0 H PHE A 41 14.165 -9.174 1.172 1.00 0.00 H new ATOM 0 HA PHE A 41 11.459 -9.192 2.044 1.00 0.00 H new ATOM 0 HB2 PHE A 41 13.878 -7.662 3.057 1.00 0.00 H new ATOM 0 HB3 PHE A 41 12.361 -7.847 3.915 1.00 0.00 H new ATOM 0 HD1 PHE A 41 11.647 -10.115 4.688 1.00 0.00 H new ATOM 0 HD2 PHE A 41 15.509 -9.414 3.037 1.00 0.00 H new ATOM 0 HE1 PHE A 41 12.439 -12.231 5.647 1.00 0.00 H new ATOM 0 HE2 PHE A 41 16.303 -11.535 3.989 1.00 0.00 H new ATOM 0 HZ PHE A 41 14.767 -12.947 5.299 1.00 0.00 H new ATOM 679 N ALA A 42 12.647 -6.472 0.665 1.00 0.00 N ATOM 680 CA ALA A 42 12.299 -5.187 0.083 1.00 0.00 C ATOM 681 C ALA A 42 11.266 -5.351 -1.029 1.00 0.00 C ATOM 682 O ALA A 42 10.293 -4.599 -1.095 1.00 0.00 O ATOM 683 CB ALA A 42 13.551 -4.504 -0.440 1.00 0.00 C ATOM 0 H ALA A 42 13.610 -6.762 0.492 1.00 0.00 H new ATOM 0 HA ALA A 42 11.853 -4.562 0.857 1.00 0.00 H new ATOM 0 HB1 ALA A 42 13.285 -3.541 -0.876 1.00 0.00 H new ATOM 0 HB2 ALA A 42 14.251 -4.350 0.381 1.00 0.00 H new ATOM 0 HB3 ALA A 42 14.016 -5.130 -1.201 1.00 0.00 H new ATOM 689 N GLU A 43 11.469 -6.339 -1.893 1.00 0.00 N ATOM 690 CA GLU A 43 10.529 -6.594 -2.980 1.00 0.00 C ATOM 691 C GLU A 43 9.192 -7.088 -2.434 1.00 0.00 C ATOM 692 O GLU A 43 8.139 -6.764 -2.980 1.00 0.00 O ATOM 693 CB GLU A 43 11.099 -7.574 -4.014 1.00 0.00 C ATOM 694 CG GLU A 43 11.386 -8.964 -3.480 1.00 0.00 C ATOM 695 CD GLU A 43 11.906 -9.901 -4.548 1.00 0.00 C ATOM 696 OE1 GLU A 43 11.080 -10.444 -5.315 1.00 0.00 O ATOM 697 OE2 GLU A 43 13.137 -10.103 -4.629 1.00 0.00 O ATOM 0 H GLU A 43 12.268 -6.972 -1.864 1.00 0.00 H new ATOM 0 HA GLU A 43 10.361 -5.648 -3.495 1.00 0.00 H new ATOM 0 HB2 GLU A 43 10.396 -7.656 -4.843 1.00 0.00 H new ATOM 0 HB3 GLU A 43 12.021 -7.158 -4.419 1.00 0.00 H new ATOM 0 HG2 GLU A 43 12.117 -8.896 -2.674 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.475 -9.379 -3.050 1.00 0.00 H new ATOM 704 N LYS A 44 9.235 -7.888 -1.370 1.00 0.00 N ATOM 705 CA LYS A 44 8.016 -8.320 -0.692 1.00 0.00 C ATOM 706 C LYS A 44 7.237 -7.119 -0.166 1.00 0.00 C ATOM 707 O LYS A 44 6.012 -7.071 -0.268 1.00 0.00 O ATOM 708 CB LYS A 44 8.340 -9.283 0.455 1.00 0.00 C ATOM 709 CG LYS A 44 8.544 -10.720 0.001 1.00 0.00 C ATOM 710 CD LYS A 44 8.892 -11.635 1.164 1.00 0.00 C ATOM 711 CE LYS A 44 8.783 -13.104 0.775 1.00 0.00 C ATOM 712 NZ LYS A 44 9.685 -13.465 -0.350 1.00 0.00 N ATOM 0 H LYS A 44 10.097 -8.248 -0.961 1.00 0.00 H new ATOM 0 HA LYS A 44 7.397 -8.846 -1.419 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.241 -8.940 0.964 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.531 -9.252 1.184 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.638 -11.080 -0.486 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.341 -10.757 -0.742 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.906 -11.422 1.504 1.00 0.00 H new ATOM 0 HD3 LYS A 44 8.225 -11.429 2.001 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.020 -13.724 1.640 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.753 -13.327 0.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.524 -14.456 -0.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.489 -12.848 -1.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.675 -13.344 -0.054 1.00 0.00 H new ATOM 726 N LYS A 45 7.951 -6.143 0.381 1.00 0.00 N ATOM 727 CA LYS A 45 7.319 -4.926 0.872 1.00 0.00 C ATOM 728 C LYS A 45 6.843 -4.065 -0.289 1.00 0.00 C ATOM 729 O LYS A 45 5.803 -3.408 -0.203 1.00 0.00 O ATOM 730 CB LYS A 45 8.269 -4.145 1.775 1.00 0.00 C ATOM 731 CG LYS A 45 8.489 -4.818 3.118 1.00 0.00 C ATOM 732 CD LYS A 45 7.165 -5.174 3.761 1.00 0.00 C ATOM 733 CE LYS A 45 7.344 -5.790 5.133 1.00 0.00 C ATOM 734 NZ LYS A 45 6.046 -6.223 5.715 1.00 0.00 N ATOM 0 H LYS A 45 8.964 -6.170 0.495 1.00 0.00 H new ATOM 0 HA LYS A 45 6.450 -5.209 1.466 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.228 -4.028 1.271 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.869 -3.144 1.936 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.088 -5.719 2.985 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.051 -4.155 3.775 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.551 -4.278 3.844 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.627 -5.871 3.119 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.015 -6.646 5.063 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.818 -5.067 5.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.204 -6.609 6.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.403 -5.408 5.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.622 -6.956 5.111 1.00 0.00 H new ATOM 748 N PHE A 46 7.608 -4.079 -1.372 1.00 0.00 N ATOM 749 CA PHE A 46 7.219 -3.400 -2.598 1.00 0.00 C ATOM 750 C PHE A 46 5.932 -4.016 -3.142 1.00 0.00 C ATOM 751 O PHE A 46 5.053 -3.316 -3.643 1.00 0.00 O ATOM 752 CB PHE A 46 8.345 -3.491 -3.636 1.00 0.00 C ATOM 753 CG PHE A 46 8.105 -2.672 -4.872 1.00 0.00 C ATOM 754 CD1 PHE A 46 8.375 -1.313 -4.878 1.00 0.00 C ATOM 755 CD2 PHE A 46 7.617 -3.259 -6.028 1.00 0.00 C ATOM 756 CE1 PHE A 46 8.163 -0.557 -6.014 1.00 0.00 C ATOM 757 CE2 PHE A 46 7.402 -2.507 -7.166 1.00 0.00 C ATOM 758 CZ PHE A 46 7.676 -1.154 -7.159 1.00 0.00 C ATOM 0 H PHE A 46 8.508 -4.557 -1.425 1.00 0.00 H new ATOM 0 HA PHE A 46 7.039 -2.347 -2.383 1.00 0.00 H new ATOM 0 HB2 PHE A 46 9.278 -3.168 -3.174 1.00 0.00 H new ATOM 0 HB3 PHE A 46 8.476 -4.534 -3.924 1.00 0.00 H new ATOM 0 HD1 PHE A 46 8.755 -0.840 -3.985 1.00 0.00 H new ATOM 0 HD2 PHE A 46 7.402 -4.317 -6.039 1.00 0.00 H new ATOM 0 HE1 PHE A 46 8.378 0.501 -6.006 1.00 0.00 H new ATOM 0 HE2 PHE A 46 7.020 -2.977 -8.060 1.00 0.00 H new ATOM 0 HZ PHE A 46 7.510 -0.564 -8.048 1.00 0.00 H new ATOM 768 N LYS A 47 5.833 -5.334 -3.043 1.00 0.00 N ATOM 769 CA LYS A 47 4.619 -6.044 -3.419 1.00 0.00 C ATOM 770 C LYS A 47 3.470 -5.661 -2.493 1.00 0.00 C ATOM 771 O LYS A 47 2.348 -5.436 -2.945 1.00 0.00 O ATOM 772 CB LYS A 47 4.846 -7.557 -3.371 1.00 0.00 C ATOM 773 CG LYS A 47 3.601 -8.370 -3.686 1.00 0.00 C ATOM 774 CD LYS A 47 3.863 -9.862 -3.582 1.00 0.00 C ATOM 775 CE LYS A 47 2.619 -10.672 -3.908 1.00 0.00 C ATOM 776 NZ LYS A 47 1.525 -10.449 -2.924 1.00 0.00 N ATOM 0 H LYS A 47 6.583 -5.936 -2.704 1.00 0.00 H new ATOM 0 HA LYS A 47 4.359 -5.760 -4.439 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.631 -7.821 -4.080 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.207 -7.830 -2.380 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.802 -8.092 -2.999 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.255 -8.131 -4.691 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.667 -10.139 -4.263 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.201 -10.103 -2.574 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.267 -10.407 -4.905 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.874 -11.732 -3.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.723 -11.072 -3.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.871 -10.661 -1.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.215 -9.457 -2.968 1.00 0.00 H new ATOM 790 N GLU A 48 3.768 -5.561 -1.199 1.00 0.00 N ATOM 791 CA GLU A 48 2.754 -5.241 -0.198 1.00 0.00 C ATOM 792 C GLU A 48 2.166 -3.857 -0.424 1.00 0.00 C ATOM 793 O GLU A 48 0.956 -3.670 -0.330 1.00 0.00 O ATOM 794 CB GLU A 48 3.328 -5.320 1.216 1.00 0.00 C ATOM 795 CG GLU A 48 3.512 -6.735 1.727 1.00 0.00 C ATOM 796 CD GLU A 48 3.803 -6.769 3.213 1.00 0.00 C ATOM 797 OE1 GLU A 48 3.010 -6.191 3.988 1.00 0.00 O ATOM 798 OE2 GLU A 48 4.809 -7.385 3.621 1.00 0.00 O ATOM 0 H GLU A 48 4.705 -5.697 -0.819 1.00 0.00 H new ATOM 0 HA GLU A 48 1.962 -5.982 -0.304 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.291 -4.809 1.236 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.668 -4.782 1.896 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.612 -7.315 1.521 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.330 -7.212 1.187 1.00 0.00 H new ATOM 805 N VAL A 49 3.014 -2.886 -0.722 1.00 0.00 N ATOM 806 CA VAL A 49 2.529 -1.542 -0.993 1.00 0.00 C ATOM 807 C VAL A 49 1.790 -1.499 -2.326 1.00 0.00 C ATOM 808 O VAL A 49 0.757 -0.850 -2.440 1.00 0.00 O ATOM 809 CB VAL A 49 3.662 -0.486 -0.969 1.00 0.00 C ATOM 810 CG1 VAL A 49 4.777 -0.842 -1.935 1.00 0.00 C ATOM 811 CG2 VAL A 49 3.117 0.894 -1.292 1.00 0.00 C ATOM 0 H VAL A 49 4.026 -2.999 -0.782 1.00 0.00 H new ATOM 0 HA VAL A 49 1.837 -1.286 -0.191 1.00 0.00 H new ATOM 0 HB VAL A 49 4.077 -0.477 0.039 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.554 -0.079 -1.891 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.201 -1.808 -1.661 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.378 -0.895 -2.948 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.929 1.620 -1.270 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.666 0.884 -2.284 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.364 1.170 -0.554 1.00 0.00 H new ATOM 821 N ALA A 50 2.299 -2.224 -3.315 1.00 0.00 N ATOM 822 CA ALA A 50 1.686 -2.236 -4.637 1.00 0.00 C ATOM 823 C ALA A 50 0.257 -2.775 -4.589 1.00 0.00 C ATOM 824 O ALA A 50 -0.652 -2.185 -5.165 1.00 0.00 O ATOM 825 CB ALA A 50 2.522 -3.061 -5.600 1.00 0.00 C ATOM 0 H ALA A 50 3.130 -2.808 -3.227 1.00 0.00 H new ATOM 0 HA ALA A 50 1.644 -1.206 -4.990 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.051 -3.060 -6.583 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.521 -2.631 -5.676 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.595 -4.085 -5.233 1.00 0.00 H new ATOM 831 N GLU A 51 0.059 -3.872 -3.870 1.00 0.00 N ATOM 832 CA GLU A 51 -1.260 -4.488 -3.775 1.00 0.00 C ATOM 833 C GLU A 51 -2.199 -3.643 -2.917 1.00 0.00 C ATOM 834 O GLU A 51 -3.352 -3.406 -3.282 1.00 0.00 O ATOM 835 CB GLU A 51 -1.143 -5.907 -3.201 1.00 0.00 C ATOM 836 CG GLU A 51 -0.486 -5.965 -1.829 1.00 0.00 C ATOM 837 CD GLU A 51 -0.231 -7.381 -1.356 1.00 0.00 C ATOM 838 OE1 GLU A 51 0.232 -8.210 -2.169 1.00 0.00 O ATOM 839 OE2 GLU A 51 -0.470 -7.666 -0.163 1.00 0.00 O ATOM 0 H GLU A 51 0.790 -4.353 -3.346 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.681 -4.547 -4.779 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.139 -6.345 -3.135 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.569 -6.523 -3.894 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.459 -5.423 -1.861 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.122 -5.455 -1.106 1.00 0.00 H new ATOM 846 N ALA A 52 -1.683 -3.161 -1.796 1.00 0.00 N ATOM 847 CA ALA A 52 -2.489 -2.439 -0.829 1.00 0.00 C ATOM 848 C ALA A 52 -2.864 -1.056 -1.340 1.00 0.00 C ATOM 849 O ALA A 52 -4.001 -0.610 -1.171 1.00 0.00 O ATOM 850 CB ALA A 52 -1.749 -2.354 0.493 1.00 0.00 C ATOM 0 H ALA A 52 -0.702 -3.259 -1.535 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.420 -2.985 -0.676 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.357 -1.811 1.216 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.553 -3.359 0.866 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.804 -1.830 0.348 1.00 0.00 H new ATOM 856 N TYR A 53 -1.916 -0.388 -1.985 1.00 0.00 N ATOM 857 CA TYR A 53 -2.164 0.933 -2.533 1.00 0.00 C ATOM 858 C TYR A 53 -3.100 0.828 -3.734 1.00 0.00 C ATOM 859 O TYR A 53 -3.920 1.710 -3.968 1.00 0.00 O ATOM 860 CB TYR A 53 -0.837 1.638 -2.883 1.00 0.00 C ATOM 861 CG TYR A 53 -0.562 1.842 -4.363 1.00 0.00 C ATOM 862 CD1 TYR A 53 0.097 0.875 -5.112 1.00 0.00 C ATOM 863 CD2 TYR A 53 -0.944 3.014 -5.000 1.00 0.00 C ATOM 864 CE1 TYR A 53 0.363 1.071 -6.455 1.00 0.00 C ATOM 865 CE2 TYR A 53 -0.679 3.217 -6.338 1.00 0.00 C ATOM 866 CZ TYR A 53 -0.027 2.245 -7.060 1.00 0.00 C ATOM 867 OH TYR A 53 0.243 2.458 -8.393 1.00 0.00 O ATOM 0 H TYR A 53 -0.972 -0.741 -2.140 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.657 1.549 -1.782 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.826 2.612 -2.394 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -0.017 1.059 -2.458 1.00 0.00 H new ATOM 0 HD1 TYR A 53 0.407 -0.045 -4.638 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.458 3.780 -4.438 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.873 0.309 -7.025 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -0.982 4.136 -6.817 1.00 0.00 H new ATOM 0 HH TYR A 53 -0.575 2.745 -8.851 1.00 0.00 H new ATOM 877 N GLU A 54 -2.977 -0.266 -4.479 1.00 0.00 N ATOM 878 CA GLU A 54 -3.845 -0.528 -5.624 1.00 0.00 C ATOM 879 C GLU A 54 -5.309 -0.620 -5.179 1.00 0.00 C ATOM 880 O GLU A 54 -6.202 -0.081 -5.834 1.00 0.00 O ATOM 881 CB GLU A 54 -3.419 -1.829 -6.306 1.00 0.00 C ATOM 882 CG GLU A 54 -4.148 -2.117 -7.607 1.00 0.00 C ATOM 883 CD GLU A 54 -3.739 -3.443 -8.213 1.00 0.00 C ATOM 884 OE1 GLU A 54 -2.737 -3.484 -8.957 1.00 0.00 O ATOM 885 OE2 GLU A 54 -4.424 -4.454 -7.951 1.00 0.00 O ATOM 0 H GLU A 54 -2.280 -0.991 -4.309 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.752 0.296 -6.332 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.348 -1.789 -6.504 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.585 -2.658 -5.618 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.223 -2.119 -7.426 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.946 -1.317 -8.319 1.00 0.00 H new ATOM 892 N VAL A 55 -5.542 -1.295 -4.059 1.00 0.00 N ATOM 893 CA VAL A 55 -6.886 -1.409 -3.492 1.00 0.00 C ATOM 894 C VAL A 55 -7.359 -0.058 -2.956 1.00 0.00 C ATOM 895 O VAL A 55 -8.484 0.364 -3.209 1.00 0.00 O ATOM 896 CB VAL A 55 -6.930 -2.459 -2.352 1.00 0.00 C ATOM 897 CG1 VAL A 55 -8.327 -2.582 -1.752 1.00 0.00 C ATOM 898 CG2 VAL A 55 -6.453 -3.812 -2.858 1.00 0.00 C ATOM 0 H VAL A 55 -4.818 -1.773 -3.523 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.551 -1.735 -4.292 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.259 -2.117 -1.564 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.317 -3.327 -0.957 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.633 -1.619 -1.343 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.030 -2.888 -2.527 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.490 -4.538 -2.046 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.098 -4.144 -3.671 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.429 -3.725 -3.220 1.00 0.00 H new ATOM 908 N LEU A 56 -6.477 0.624 -2.242 1.00 0.00 N ATOM 909 CA LEU A 56 -6.817 1.882 -1.591 1.00 0.00 C ATOM 910 C LEU A 56 -6.981 3.034 -2.596 1.00 0.00 C ATOM 911 O LEU A 56 -7.568 4.065 -2.273 1.00 0.00 O ATOM 912 CB LEU A 56 -5.756 2.220 -0.535 1.00 0.00 C ATOM 913 CG LEU A 56 -6.005 3.494 0.277 1.00 0.00 C ATOM 914 CD1 LEU A 56 -7.365 3.453 0.946 1.00 0.00 C ATOM 915 CD2 LEU A 56 -4.910 3.680 1.317 1.00 0.00 C ATOM 0 H LEU A 56 -5.513 0.325 -2.097 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.784 1.757 -1.104 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.679 1.381 0.156 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.791 2.312 -1.034 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.988 4.342 -0.407 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.518 4.369 1.517 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.142 3.365 0.186 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.415 2.595 1.617 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.100 4.590 1.887 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.900 2.824 1.992 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.944 3.760 0.818 1.00 0.00 H new ATOM 927 N SER A 57 -6.468 2.866 -3.809 1.00 0.00 N ATOM 928 CA SER A 57 -6.586 3.906 -4.831 1.00 0.00 C ATOM 929 C SER A 57 -7.933 3.849 -5.550 1.00 0.00 C ATOM 930 O SER A 57 -8.348 4.822 -6.181 1.00 0.00 O ATOM 931 CB SER A 57 -5.456 3.790 -5.856 1.00 0.00 C ATOM 932 OG SER A 57 -4.192 3.978 -5.246 1.00 0.00 O ATOM 0 H SER A 57 -5.970 2.028 -4.110 1.00 0.00 H new ATOM 0 HA SER A 57 -6.513 4.864 -4.317 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.491 2.810 -6.331 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.597 4.531 -6.643 1.00 0.00 H new ATOM 0 HG SER A 57 -3.788 3.106 -5.055 1.00 0.00 H new ATOM 938 N ASP A 58 -8.619 2.718 -5.454 1.00 0.00 N ATOM 939 CA ASP A 58 -9.866 2.529 -6.188 1.00 0.00 C ATOM 940 C ASP A 58 -11.070 2.537 -5.254 1.00 0.00 C ATOM 941 O ASP A 58 -11.149 1.754 -4.311 1.00 0.00 O ATOM 942 CB ASP A 58 -9.822 1.222 -6.973 1.00 0.00 C ATOM 943 CG ASP A 58 -11.110 0.966 -7.723 1.00 0.00 C ATOM 944 OD1 ASP A 58 -11.429 1.744 -8.644 1.00 0.00 O ATOM 945 OD2 ASP A 58 -11.815 -0.003 -7.386 1.00 0.00 O ATOM 0 H ASP A 58 -8.337 1.923 -4.881 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.974 3.363 -6.882 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.992 1.251 -7.679 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.631 0.395 -6.289 1.00 0.00 H new ATOM 950 N LYS A 59 -12.004 3.439 -5.537 1.00 0.00 N ATOM 951 CA LYS A 59 -13.200 3.622 -4.724 1.00 0.00 C ATOM 952 C LYS A 59 -14.067 2.371 -4.666 1.00 0.00 C ATOM 953 O LYS A 59 -14.647 2.051 -3.630 1.00 0.00 O ATOM 954 CB LYS A 59 -14.049 4.765 -5.283 1.00 0.00 C ATOM 955 CG LYS A 59 -14.621 4.552 -6.687 1.00 0.00 C ATOM 956 CD LYS A 59 -13.567 4.609 -7.782 1.00 0.00 C ATOM 957 CE LYS A 59 -14.199 4.560 -9.163 1.00 0.00 C ATOM 958 NZ LYS A 59 -15.162 5.675 -9.374 1.00 0.00 N ATOM 0 H LYS A 59 -11.952 4.066 -6.340 1.00 0.00 H new ATOM 0 HA LYS A 59 -12.854 3.849 -3.716 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -14.878 4.944 -4.598 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -13.442 5.670 -5.293 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -15.122 3.585 -6.725 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -15.379 5.311 -6.882 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.983 5.524 -7.680 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -12.875 3.775 -7.667 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.418 4.607 -9.921 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -14.713 3.607 -9.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -15.299 5.827 -10.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -16.073 5.434 -8.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.788 6.544 -8.941 1.00 0.00 H new ATOM 972 N HIS A 60 -14.149 1.682 -5.784 1.00 0.00 N ATOM 973 CA HIS A 60 -14.903 0.436 -5.878 1.00 0.00 C ATOM 974 C HIS A 60 -14.264 -0.628 -4.999 1.00 0.00 C ATOM 975 O HIS A 60 -14.947 -1.393 -4.328 1.00 0.00 O ATOM 976 CB HIS A 60 -14.970 -0.031 -7.338 1.00 0.00 C ATOM 977 CG HIS A 60 -15.720 -1.314 -7.555 1.00 0.00 C ATOM 978 ND1 HIS A 60 -17.096 -1.388 -7.616 1.00 0.00 N ATOM 979 CD2 HIS A 60 -15.270 -2.578 -7.749 1.00 0.00 C ATOM 980 CE1 HIS A 60 -17.460 -2.637 -7.839 1.00 0.00 C ATOM 981 NE2 HIS A 60 -16.371 -3.377 -7.923 1.00 0.00 N ATOM 0 H HIS A 60 -13.699 1.963 -6.655 1.00 0.00 H new ATOM 0 HA HIS A 60 -15.920 0.607 -5.526 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -15.438 0.752 -7.934 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -13.954 -0.153 -7.713 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -14.238 -2.896 -7.764 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -18.475 -2.992 -7.936 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -16.351 -4.383 -8.091 1.00 0.00 H new ATOM 990 N LYS A 61 -12.947 -0.665 -5.004 1.00 0.00 N ATOM 991 CA LYS A 61 -12.207 -1.595 -4.176 1.00 0.00 C ATOM 992 C LYS A 61 -12.321 -1.204 -2.705 1.00 0.00 C ATOM 993 O LYS A 61 -12.364 -2.067 -1.830 1.00 0.00 O ATOM 994 CB LYS A 61 -10.747 -1.636 -4.630 1.00 0.00 C ATOM 995 CG LYS A 61 -10.135 -3.031 -4.646 1.00 0.00 C ATOM 996 CD LYS A 61 -11.004 -4.037 -5.396 1.00 0.00 C ATOM 997 CE LYS A 61 -11.460 -3.513 -6.749 1.00 0.00 C ATOM 998 NZ LYS A 61 -10.330 -3.237 -7.672 1.00 0.00 N ATOM 0 H LYS A 61 -12.363 -0.056 -5.578 1.00 0.00 H new ATOM 0 HA LYS A 61 -12.630 -2.594 -4.285 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -10.678 -1.210 -5.631 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -10.156 -1.000 -3.971 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -9.150 -2.988 -5.111 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.989 -3.373 -3.621 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -10.445 -4.962 -5.537 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -11.877 -4.281 -4.791 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -12.128 -4.241 -7.209 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -12.036 -2.599 -6.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.700 -2.883 -8.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.704 -2.522 -7.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.794 -4.113 -7.836 1.00 0.00 H new ATOM 1012 N ARG A 62 -12.395 0.100 -2.440 1.00 0.00 N ATOM 1013 CA ARG A 62 -12.575 0.595 -1.076 1.00 0.00 C ATOM 1014 C ARG A 62 -13.903 0.128 -0.494 1.00 0.00 C ATOM 1015 O ARG A 62 -13.955 -0.378 0.625 1.00 0.00 O ATOM 1016 CB ARG A 62 -12.546 2.124 -1.041 1.00 0.00 C ATOM 1017 CG ARG A 62 -11.183 2.744 -1.288 1.00 0.00 C ATOM 1018 CD ARG A 62 -11.270 4.262 -1.227 1.00 0.00 C ATOM 1019 NE ARG A 62 -9.965 4.906 -1.349 1.00 0.00 N ATOM 1020 CZ ARG A 62 -9.752 6.212 -1.177 1.00 0.00 C ATOM 1021 NH1 ARG A 62 -10.767 7.033 -0.926 1.00 0.00 N ATOM 1022 NH2 ARG A 62 -8.520 6.695 -1.273 1.00 0.00 N ATOM 0 H ARG A 62 -12.333 0.830 -3.149 1.00 0.00 H new ATOM 0 HA ARG A 62 -11.753 0.196 -0.481 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -13.242 2.503 -1.789 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -12.910 2.457 -0.069 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -10.473 2.384 -0.544 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -10.807 2.434 -2.263 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -11.922 4.617 -2.025 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -11.730 4.558 -0.284 1.00 0.00 H new ATOM 0 HE ARG A 62 -9.164 4.319 -1.581 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -11.717 6.666 -0.864 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -10.596 8.030 -0.796 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -7.741 6.069 -1.477 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -8.352 7.693 -1.142 1.00 0.00 H new ATOM 1036 N GLU A 63 -14.976 0.279 -1.266 1.00 0.00 N ATOM 1037 CA GLU A 63 -16.305 -0.079 -0.783 1.00 0.00 C ATOM 1038 C GLU A 63 -16.455 -1.592 -0.678 1.00 0.00 C ATOM 1039 O GLU A 63 -17.117 -2.093 0.231 1.00 0.00 O ATOM 1040 CB GLU A 63 -17.401 0.520 -1.669 1.00 0.00 C ATOM 1041 CG GLU A 63 -17.305 0.134 -3.133 1.00 0.00 C ATOM 1042 CD GLU A 63 -18.492 0.612 -3.938 1.00 0.00 C ATOM 1043 OE1 GLU A 63 -18.445 1.742 -4.474 1.00 0.00 O ATOM 1044 OE2 GLU A 63 -19.481 -0.142 -4.041 1.00 0.00 O ATOM 0 H GLU A 63 -14.952 0.643 -2.219 1.00 0.00 H new ATOM 0 HA GLU A 63 -16.420 0.344 0.215 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -18.372 0.207 -1.286 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -17.362 1.606 -1.589 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -16.391 0.552 -3.556 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -17.228 -0.950 -3.215 1.00 0.00 H new ATOM 1051 N ILE A 64 -15.827 -2.319 -1.599 1.00 0.00 N ATOM 1052 CA ILE A 64 -15.809 -3.776 -1.536 1.00 0.00 C ATOM 1053 C ILE A 64 -15.043 -4.234 -0.298 1.00 0.00 C ATOM 1054 O ILE A 64 -15.481 -5.136 0.412 1.00 0.00 O ATOM 1055 CB ILE A 64 -15.203 -4.405 -2.824 1.00 0.00 C ATOM 1056 CG1 ILE A 64 -16.310 -4.739 -3.830 1.00 0.00 C ATOM 1057 CG2 ILE A 64 -14.397 -5.662 -2.512 1.00 0.00 C ATOM 1058 CD1 ILE A 64 -17.143 -3.552 -4.261 1.00 0.00 C ATOM 0 H ILE A 64 -15.326 -1.924 -2.395 1.00 0.00 H new ATOM 0 HA ILE A 64 -16.840 -4.122 -1.466 1.00 0.00 H new ATOM 0 HB ILE A 64 -14.528 -3.667 -3.259 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -15.857 -5.189 -4.713 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -16.968 -5.489 -3.392 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -13.990 -6.072 -3.436 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -13.580 -5.412 -1.835 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -15.044 -6.402 -2.041 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -17.901 -3.879 -4.972 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -17.628 -3.112 -3.390 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -16.500 -2.808 -4.732 1.00 0.00 H new ATOM 1070 N TYR A 65 -13.917 -3.588 -0.023 1.00 0.00 N ATOM 1071 CA TYR A 65 -13.133 -3.903 1.162 1.00 0.00 C ATOM 1072 C TYR A 65 -13.917 -3.547 2.424 1.00 0.00 C ATOM 1073 O TYR A 65 -13.862 -4.261 3.428 1.00 0.00 O ATOM 1074 CB TYR A 65 -11.794 -3.155 1.142 1.00 0.00 C ATOM 1075 CG TYR A 65 -10.915 -3.466 2.334 1.00 0.00 C ATOM 1076 CD1 TYR A 65 -10.184 -4.646 2.398 1.00 0.00 C ATOM 1077 CD2 TYR A 65 -10.829 -2.584 3.403 1.00 0.00 C ATOM 1078 CE1 TYR A 65 -9.394 -4.938 3.494 1.00 0.00 C ATOM 1079 CE2 TYR A 65 -10.038 -2.867 4.500 1.00 0.00 C ATOM 1080 CZ TYR A 65 -9.325 -4.045 4.540 1.00 0.00 C ATOM 1081 OH TYR A 65 -8.546 -4.332 5.637 1.00 0.00 O ATOM 0 H TYR A 65 -13.528 -2.845 -0.603 1.00 0.00 H new ATOM 0 HA TYR A 65 -12.929 -4.974 1.163 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -11.258 -3.409 0.228 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -11.986 -2.082 1.111 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -10.234 -5.347 1.578 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -11.390 -1.661 3.377 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -8.834 -5.861 3.530 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -9.979 -2.168 5.322 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.608 -3.598 6.283 1.00 0.00 H new ATOM 1091 N ASP A 66 -14.664 -2.452 2.351 1.00 0.00 N ATOM 1092 CA ASP A 66 -15.437 -1.963 3.489 1.00 0.00 C ATOM 1093 C ASP A 66 -16.527 -2.951 3.896 1.00 0.00 C ATOM 1094 O ASP A 66 -16.666 -3.280 5.074 1.00 0.00 O ATOM 1095 CB ASP A 66 -16.075 -0.620 3.128 1.00 0.00 C ATOM 1096 CG ASP A 66 -16.981 -0.072 4.214 1.00 0.00 C ATOM 1097 OD1 ASP A 66 -16.478 0.592 5.145 1.00 0.00 O ATOM 1098 OD2 ASP A 66 -18.209 -0.283 4.127 1.00 0.00 O ATOM 0 H ASP A 66 -14.752 -1.882 1.510 1.00 0.00 H new ATOM 0 HA ASP A 66 -14.758 -1.845 4.334 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -15.287 0.105 2.923 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -16.650 -0.735 2.209 1.00 0.00 H new ATOM 1103 N ARG A 67 -17.289 -3.438 2.926 1.00 0.00 N ATOM 1104 CA ARG A 67 -18.362 -4.371 3.225 1.00 0.00 C ATOM 1105 C ARG A 67 -17.904 -5.829 3.222 1.00 0.00 C ATOM 1106 O ARG A 67 -18.171 -6.563 4.166 1.00 0.00 O ATOM 1107 CB ARG A 67 -19.503 -4.176 2.235 1.00 0.00 C ATOM 1108 CG ARG A 67 -19.094 -4.372 0.785 1.00 0.00 C ATOM 1109 CD ARG A 67 -20.044 -3.655 -0.139 1.00 0.00 C ATOM 1110 NE ARG A 67 -21.408 -4.165 -0.005 1.00 0.00 N ATOM 1111 CZ ARG A 67 -22.500 -3.492 -0.362 1.00 0.00 C ATOM 1112 NH1 ARG A 67 -22.412 -2.252 -0.819 1.00 0.00 N ATOM 1113 NH2 ARG A 67 -23.692 -4.055 -0.246 1.00 0.00 N ATOM 0 H ARG A 67 -17.185 -3.205 1.938 1.00 0.00 H new ATOM 0 HA ARG A 67 -18.703 -4.154 4.237 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -20.304 -4.875 2.475 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -19.910 -3.172 2.356 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -18.081 -3.999 0.634 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -19.080 -5.436 0.547 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -20.030 -2.587 0.080 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -19.710 -3.773 -1.170 1.00 0.00 H new ATOM 0 HE ARG A 67 -21.531 -5.098 0.388 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -21.500 -1.802 -0.901 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -23.256 -1.747 -1.089 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -23.774 -5.005 0.117 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -24.528 -3.539 -0.520 1.00 0.00 H new ATOM 1127 N TYR A 68 -17.192 -6.239 2.182 1.00 0.00 N ATOM 1128 CA TYR A 68 -16.919 -7.654 1.956 1.00 0.00 C ATOM 1129 C TYR A 68 -15.575 -8.058 2.553 1.00 0.00 C ATOM 1130 O TYR A 68 -15.258 -9.243 2.653 1.00 0.00 O ATOM 1131 CB TYR A 68 -16.953 -7.943 0.449 1.00 0.00 C ATOM 1132 CG TYR A 68 -16.892 -9.409 0.085 1.00 0.00 C ATOM 1133 CD1 TYR A 68 -17.928 -10.270 0.417 1.00 0.00 C ATOM 1134 CD2 TYR A 68 -15.806 -9.928 -0.610 1.00 0.00 C ATOM 1135 CE1 TYR A 68 -17.886 -11.606 0.070 1.00 0.00 C ATOM 1136 CE2 TYR A 68 -15.756 -11.264 -0.958 1.00 0.00 C ATOM 1137 CZ TYR A 68 -16.798 -12.098 -0.616 1.00 0.00 C ATOM 1138 OH TYR A 68 -16.757 -13.428 -0.968 1.00 0.00 O ATOM 0 H TYR A 68 -16.793 -5.614 1.481 1.00 0.00 H new ATOM 0 HA TYR A 68 -17.688 -8.245 2.454 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -17.865 -7.517 0.032 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -16.116 -7.430 -0.024 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -18.782 -9.889 0.956 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -14.989 -9.277 -0.882 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -18.702 -12.262 0.335 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -14.904 -11.653 -1.496 1.00 0.00 H new ATOM 0 HH TYR A 68 -15.923 -13.614 -1.448 1.00 0.00 H new ATOM 1148 N GLY A 69 -14.799 -7.070 2.964 1.00 0.00 N ATOM 1149 CA GLY A 69 -13.526 -7.348 3.593 1.00 0.00 C ATOM 1150 C GLY A 69 -13.698 -7.736 5.037 1.00 0.00 C ATOM 1151 O GLY A 69 -13.144 -8.729 5.505 1.00 0.00 O ATOM 0 H GLY A 69 -15.027 -6.080 2.874 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -13.022 -8.152 3.057 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.886 -6.469 3.525 1.00 0.00 H new ATOM 1155 N ARG A 70 -14.464 -6.923 5.738 1.00 0.00 N ATOM 1156 CA ARG A 70 -14.731 -7.124 7.158 1.00 0.00 C ATOM 1157 C ARG A 70 -15.570 -8.373 7.431 1.00 0.00 C ATOM 1158 O ARG A 70 -15.519 -8.911 8.534 1.00 0.00 O ATOM 1159 CB ARG A 70 -15.410 -5.890 7.744 1.00 0.00 C ATOM 1160 CG ARG A 70 -14.550 -4.641 7.665 1.00 0.00 C ATOM 1161 CD ARG A 70 -13.188 -4.857 8.314 1.00 0.00 C ATOM 1162 NE ARG A 70 -13.301 -5.299 9.706 1.00 0.00 N ATOM 1163 CZ ARG A 70 -12.398 -6.064 10.325 1.00 0.00 C ATOM 1164 NH1 ARG A 70 -11.334 -6.510 9.668 1.00 0.00 N ATOM 1165 NH2 ARG A 70 -12.572 -6.396 11.601 1.00 0.00 N ATOM 0 H ARG A 70 -14.922 -6.102 5.343 1.00 0.00 H new ATOM 0 HA ARG A 70 -13.768 -7.278 7.646 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -16.346 -5.713 7.215 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -15.664 -6.083 8.786 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -14.416 -4.356 6.621 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -15.062 -3.814 8.158 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -12.629 -5.599 7.743 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -12.618 -3.929 8.275 1.00 0.00 H new ATOM 0 HE ARG A 70 -14.121 -5.004 10.236 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -11.203 -6.269 8.686 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -10.647 -7.094 10.146 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -13.395 -6.066 12.106 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -11.883 -6.980 12.075 1.00 0.00 H new ATOM 1179 N GLU A 71 -16.366 -8.803 6.453 1.00 0.00 N ATOM 1180 CA GLU A 71 -17.193 -10.002 6.606 1.00 0.00 C ATOM 1181 C GLU A 71 -16.329 -11.227 6.899 1.00 0.00 C ATOM 1182 O GLU A 71 -16.368 -11.729 8.042 1.00 0.00 O ATOM 1183 CB GLU A 71 -18.024 -10.264 5.348 1.00 0.00 C ATOM 1184 CG GLU A 71 -19.078 -9.210 5.060 1.00 0.00 C ATOM 1185 CD GLU A 71 -20.085 -9.045 6.180 1.00 0.00 C ATOM 1186 OE1 GLU A 71 -20.700 -10.051 6.586 1.00 0.00 O ATOM 1187 OE2 GLU A 71 -20.286 -7.904 6.642 1.00 0.00 O ATOM 0 H GLU A 71 -16.457 -8.341 5.548 1.00 0.00 H new ATOM 0 HA GLU A 71 -17.865 -9.825 7.446 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -17.353 -10.332 4.492 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -18.514 -11.233 5.447 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -18.586 -8.254 4.880 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -19.605 -9.475 4.143 1.00 0.00 H new TER 1194 GLU A 71