USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 778 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 85 SER OG : rot 98:sc= 2.31 USER MOD Set 1.2: A 89 TYR OH : rot 121:sc= 1.25 USER MOD Set 2.1: A 63 GLN : amide:sc= -3.55! K(o=-9.1!,f=-13) USER MOD Set 2.2: A 84 ASN : amide:sc= -5.54! C(o=-9.1!,f=-18!) USER MOD Set 3.1: A 23 ASN : amide:sc= -1.03 K(o=3.1,f=1.5) USER MOD Set 3.2: A 59 TYR OH : rot 26:sc= 1.68 USER MOD Set 3.3: A 95 LYS NZ :NH3+ -149:sc= 2.4 (180deg=0.496) USER MOD Set 4.1: A 25 ASN : amide:sc= -3.37! C(o=-9.1!,f=-13!) USER MOD Set 4.2: A 49 HIS : +bothHN:sc= -5.69! C(o=-9.1!,f=-14!) USER MOD Set 5.1: A 44 LYS NZ :NH3+ 132:sc= 0.525 (180deg=-0.784) USER MOD Set 5.2: A 81 TYR OH : rot 165:sc= -2.15! USER MOD Set 6.1: A 37 LYS NZ :NH3+ 171:sc= 1.89 (180deg=1.08) USER MOD Set 6.2: A 78 ASN : amide:sc= 0.334 K(o=2.2,f=-11!) USER MOD Set 7.1: A 5 TYR OH : rot -171:sc= -0.45 USER MOD Set 7.2: A 8 GLN : amide:sc= 1.43 K(o=0.98,f=-3.6!) USER MOD Set 7.3: A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= 0.517 K(o=0.52,f=-0.0021) USER MOD Single : A 7 GLN : amide:sc= -0.057 X(o=-0.057,f=0) USER MOD Single : A 13 CYS SG : rot 160:sc= -0.676 USER MOD Single : A 18 SER OG : rot 160:sc= -1.01 USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot -90:sc= 0.753 USER MOD Single : A 28 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0196) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -67:sc= 0.514 USER MOD Single : A 34 SER OG : rot -179:sc= 1.22 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 MET CE :methyl 171:sc= -1.19 (180deg=-1.52) USER MOD Single : A 48 LYS NZ :NH3+ -120:sc= -1.53! (180deg=-3.28!) USER MOD Single : A 50 ASN : amide:sc= -0.137 X(o=-0.14,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= -0.201 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -161:sc= 0.631 (180deg=0.433) USER MOD Single : A 76 ASN : amide:sc= -1.92! C(o=-1.9!,f=-8.3!) USER MOD Single : A 83 MET CE :methyl -170:sc= 0 (180deg=-0.115) USER MOD Single : A 86 THR OG1 : rot -103:sc= 0.632 USER MOD Single : A 88 ASN : amide:sc= -0.649 K(o=-0.65,f=-1.6!) USER MOD Single : A 94 LYS NZ :NH3+ 132:sc= 1.19 (180deg=0.754) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 6.431 -27.627 13.532 1.00 0.00 N ATOM 2 CA ALA A 1 4.952 -27.782 13.457 1.00 0.00 C ATOM 3 C ALA A 1 4.468 -27.793 12.005 1.00 0.00 C ATOM 4 O ALA A 1 3.897 -28.782 11.545 1.00 0.00 O ATOM 5 CB ALA A 1 4.261 -26.673 14.242 1.00 0.00 C ATOM 0 H1 ALA A 1 6.730 -27.623 14.528 1.00 0.00 H new ATOM 0 H2 ALA A 1 6.889 -28.419 13.037 1.00 0.00 H new ATOM 0 H3 ALA A 1 6.709 -26.731 13.084 1.00 0.00 H new ATOM 0 HA ALA A 1 4.692 -28.742 13.903 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.180 -26.800 14.177 1.00 0.00 H new ATOM 0 HB2 ALA A 1 4.570 -26.720 15.286 1.00 0.00 H new ATOM 0 HB3 ALA A 1 4.538 -25.705 13.825 1.00 0.00 H new ATOM 13 N LEU A 2 4.700 -26.691 11.290 1.00 0.00 N ATOM 14 CA LEU A 2 4.287 -26.578 9.892 1.00 0.00 C ATOM 15 C LEU A 2 5.368 -25.891 9.052 1.00 0.00 C ATOM 16 O LEU A 2 6.225 -25.185 9.588 1.00 0.00 O ATOM 17 CB LEU A 2 2.967 -25.805 9.789 1.00 0.00 C ATOM 18 CG LEU A 2 2.998 -24.379 10.349 1.00 0.00 C ATOM 19 CD1 LEU A 2 2.555 -23.380 9.293 1.00 0.00 C ATOM 20 CD2 LEU A 2 2.119 -24.272 11.586 1.00 0.00 C ATOM 0 H LEU A 2 5.172 -25.864 11.657 1.00 0.00 H new ATOM 0 HA LEU A 2 4.141 -27.585 9.500 1.00 0.00 H new ATOM 0 HB2 LEU A 2 2.672 -25.760 8.741 1.00 0.00 H new ATOM 0 HB3 LEU A 2 2.194 -26.367 10.313 1.00 0.00 H new ATOM 0 HG LEU A 2 4.024 -24.145 10.634 1.00 0.00 H new ATOM 0 HD11 LEU A 2 2.584 -22.373 9.710 1.00 0.00 H new ATOM 0 HD12 LEU A 2 3.225 -23.437 8.435 1.00 0.00 H new ATOM 0 HD13 LEU A 2 1.538 -23.613 8.976 1.00 0.00 H new ATOM 0 HD21 LEU A 2 2.153 -23.252 11.970 1.00 0.00 H new ATOM 0 HD22 LEU A 2 1.092 -24.527 11.326 1.00 0.00 H new ATOM 0 HD23 LEU A 2 2.481 -24.960 12.350 1.00 0.00 H new ATOM 32 N PRO A 3 5.339 -26.086 7.717 1.00 0.00 N ATOM 33 CA PRO A 3 6.312 -25.483 6.807 1.00 0.00 C ATOM 34 C PRO A 3 5.898 -24.082 6.346 1.00 0.00 C ATOM 35 O PRO A 3 4.907 -23.528 6.828 1.00 0.00 O ATOM 36 CB PRO A 3 6.322 -26.460 5.630 1.00 0.00 C ATOM 37 CG PRO A 3 4.951 -27.063 5.602 1.00 0.00 C ATOM 38 CD PRO A 3 4.352 -26.906 6.990 1.00 0.00 C ATOM 0 HA PRO A 3 7.285 -25.340 7.276 1.00 0.00 H new ATOM 0 HB2 PRO A 3 6.544 -25.946 4.695 1.00 0.00 H new ATOM 0 HB3 PRO A 3 7.086 -27.226 5.762 1.00 0.00 H new ATOM 0 HG2 PRO A 3 4.329 -26.566 4.858 1.00 0.00 H new ATOM 0 HG3 PRO A 3 5.001 -28.116 5.323 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.379 -26.417 6.951 1.00 0.00 H new ATOM 0 HD3 PRO A 3 4.204 -27.872 7.472 1.00 0.00 H new ATOM 46 N LEU A 4 6.663 -23.516 5.411 1.00 0.00 N ATOM 47 CA LEU A 4 6.374 -22.182 4.882 1.00 0.00 C ATOM 48 C LEU A 4 5.033 -22.156 4.143 1.00 0.00 C ATOM 49 O LEU A 4 4.456 -23.205 3.848 1.00 0.00 O ATOM 50 CB LEU A 4 7.501 -21.719 3.947 1.00 0.00 C ATOM 51 CG LEU A 4 7.746 -22.609 2.724 1.00 0.00 C ATOM 52 CD1 LEU A 4 7.224 -21.940 1.461 1.00 0.00 C ATOM 53 CD2 LEU A 4 9.227 -22.925 2.583 1.00 0.00 C ATOM 0 H LEU A 4 7.487 -23.960 5.005 1.00 0.00 H new ATOM 0 HA LEU A 4 6.310 -21.496 5.727 1.00 0.00 H new ATOM 0 HB2 LEU A 4 7.273 -20.711 3.602 1.00 0.00 H new ATOM 0 HB3 LEU A 4 8.425 -21.658 4.522 1.00 0.00 H new ATOM 0 HG LEU A 4 7.204 -23.544 2.867 1.00 0.00 H new ATOM 0 HD11 LEU A 4 7.407 -22.588 0.604 1.00 0.00 H new ATOM 0 HD12 LEU A 4 6.153 -21.763 1.559 1.00 0.00 H new ATOM 0 HD13 LEU A 4 7.737 -20.990 1.314 1.00 0.00 H new ATOM 0 HD21 LEU A 4 9.382 -23.558 1.709 1.00 0.00 H new ATOM 0 HD22 LEU A 4 9.787 -21.998 2.464 1.00 0.00 H new ATOM 0 HD23 LEU A 4 9.574 -23.446 3.475 1.00 0.00 H new ATOM 65 N TYR A 5 4.543 -20.948 3.853 1.00 0.00 N ATOM 66 CA TYR A 5 3.268 -20.777 3.156 1.00 0.00 C ATOM 67 C TYR A 5 3.232 -21.572 1.848 1.00 0.00 C ATOM 68 O TYR A 5 3.876 -21.202 0.864 1.00 0.00 O ATOM 69 CB TYR A 5 3.006 -19.292 2.874 1.00 0.00 C ATOM 70 CG TYR A 5 1.582 -18.994 2.453 1.00 0.00 C ATOM 71 CD1 TYR A 5 1.196 -19.092 1.122 1.00 0.00 C ATOM 72 CD2 TYR A 5 0.626 -18.617 3.387 1.00 0.00 C ATOM 73 CE1 TYR A 5 -0.102 -18.821 0.733 1.00 0.00 C ATOM 74 CE2 TYR A 5 -0.675 -18.345 3.006 1.00 0.00 C ATOM 75 CZ TYR A 5 -1.033 -18.448 1.678 1.00 0.00 C ATOM 76 OH TYR A 5 -2.328 -18.177 1.292 1.00 0.00 O ATOM 0 H TYR A 5 5.011 -20.074 4.091 1.00 0.00 H new ATOM 0 HA TYR A 5 2.483 -21.162 3.807 1.00 0.00 H new ATOM 0 HB2 TYR A 5 3.239 -18.715 3.769 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.685 -18.955 2.091 1.00 0.00 H new ATOM 0 HD1 TYR A 5 1.923 -19.385 0.379 1.00 0.00 H new ATOM 0 HD2 TYR A 5 0.903 -18.535 4.428 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.385 -18.901 -0.306 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -1.407 -18.053 3.744 1.00 0.00 H new ATOM 0 HH TYR A 5 -2.821 -17.793 2.047 1.00 0.00 H new ATOM 86 N ASN A 6 2.469 -22.665 1.851 1.00 0.00 N ATOM 87 CA ASN A 6 2.332 -23.522 0.675 1.00 0.00 C ATOM 88 C ASN A 6 0.859 -23.711 0.315 1.00 0.00 C ATOM 89 O ASN A 6 0.432 -23.361 -0.786 1.00 0.00 O ATOM 90 CB ASN A 6 2.992 -24.882 0.927 1.00 0.00 C ATOM 91 CG ASN A 6 4.457 -24.901 0.536 1.00 0.00 C ATOM 92 OD1 ASN A 6 4.802 -25.211 -0.603 1.00 0.00 O ATOM 93 ND2 ASN A 6 5.331 -24.570 1.480 1.00 0.00 N ATOM 0 H ASN A 6 1.934 -22.979 2.661 1.00 0.00 H new ATOM 0 HA ASN A 6 2.834 -23.037 -0.162 1.00 0.00 H new ATOM 0 HB2 ASN A 6 2.898 -25.137 1.983 1.00 0.00 H new ATOM 0 HB3 ASN A 6 2.460 -25.650 0.365 1.00 0.00 H new ATOM 0 HD21 ASN A 6 6.330 -24.567 1.272 1.00 0.00 H new ATOM 0 HD22 ASN A 6 5.004 -24.319 2.413 1.00 0.00 H new ATOM 100 N GLN A 7 0.088 -24.263 1.254 1.00 0.00 N ATOM 101 CA GLN A 7 -1.339 -24.497 1.044 1.00 0.00 C ATOM 102 C GLN A 7 -2.161 -23.862 2.167 1.00 0.00 C ATOM 103 O GLN A 7 -2.157 -24.346 3.301 1.00 0.00 O ATOM 104 CB GLN A 7 -1.629 -25.999 0.965 1.00 0.00 C ATOM 105 CG GLN A 7 -0.924 -26.698 -0.190 1.00 0.00 C ATOM 106 CD GLN A 7 -0.195 -27.958 0.242 1.00 0.00 C ATOM 107 OE1 GLN A 7 -0.553 -29.062 -0.162 1.00 0.00 O ATOM 108 NE2 GLN A 7 0.832 -27.798 1.069 1.00 0.00 N ATOM 0 H GLN A 7 0.431 -24.556 2.169 1.00 0.00 H new ATOM 0 HA GLN A 7 -1.625 -24.034 0.100 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -1.327 -26.468 1.901 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -2.704 -26.148 0.866 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -1.656 -26.952 -0.956 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -0.212 -26.010 -0.645 1.00 0.00 H new ATOM 0 HE21 GLN A 7 1.096 -26.863 1.380 1.00 0.00 H new ATOM 0 HE22 GLN A 7 1.357 -28.610 1.393 1.00 0.00 H new ATOM 117 N GLN A 8 -2.861 -22.776 1.843 1.00 0.00 N ATOM 118 CA GLN A 8 -3.686 -22.071 2.821 1.00 0.00 C ATOM 119 C GLN A 8 -5.146 -22.020 2.372 1.00 0.00 C ATOM 120 O GLN A 8 -5.462 -21.464 1.319 1.00 0.00 O ATOM 121 CB GLN A 8 -3.153 -20.652 3.041 1.00 0.00 C ATOM 122 CG GLN A 8 -3.767 -19.942 4.239 1.00 0.00 C ATOM 123 CD GLN A 8 -4.472 -18.653 3.858 1.00 0.00 C ATOM 124 OE1 GLN A 8 -3.867 -17.582 3.844 1.00 0.00 O ATOM 125 NE2 GLN A 8 -5.759 -18.749 3.544 1.00 0.00 N ATOM 0 H GLN A 8 -2.873 -22.365 0.909 1.00 0.00 H new ATOM 0 HA GLN A 8 -3.637 -22.619 3.762 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -2.072 -20.697 3.172 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -3.341 -20.061 2.145 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -4.477 -20.609 4.727 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -2.985 -19.722 4.966 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -6.224 -19.657 3.568 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.283 -17.915 3.279 1.00 0.00 H new ATOM 134 N VAL A 9 -6.027 -22.607 3.180 1.00 0.00 N ATOM 135 CA VAL A 9 -7.456 -22.634 2.875 1.00 0.00 C ATOM 136 C VAL A 9 -8.288 -22.357 4.128 1.00 0.00 C ATOM 137 O VAL A 9 -8.416 -23.217 5.002 1.00 0.00 O ATOM 138 CB VAL A 9 -7.880 -23.993 2.272 1.00 0.00 C ATOM 139 CG1 VAL A 9 -9.338 -23.962 1.838 1.00 0.00 C ATOM 140 CG2 VAL A 9 -6.982 -24.370 1.102 1.00 0.00 C ATOM 0 H VAL A 9 -5.775 -23.071 4.053 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.640 -21.851 2.140 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.770 -24.753 3.046 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.613 -24.929 1.417 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.970 -23.749 2.700 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -9.477 -23.186 1.085 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.300 -25.330 0.694 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -7.053 -23.606 0.328 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.950 -24.445 1.445 1.00 0.00 H new ATOM 150 N GLY A 10 -8.848 -21.151 4.208 1.00 0.00 N ATOM 151 CA GLY A 10 -9.660 -20.781 5.359 1.00 0.00 C ATOM 152 C GLY A 10 -10.371 -19.451 5.174 1.00 0.00 C ATOM 153 O GLY A 10 -11.093 -19.260 4.194 1.00 0.00 O ATOM 0 H GLY A 10 -8.755 -20.424 3.498 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -10.399 -21.561 5.542 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.026 -20.729 6.244 1.00 0.00 H new ATOM 157 N ASP A 11 -10.167 -18.531 6.118 1.00 0.00 N ATOM 158 CA ASP A 11 -10.794 -17.211 6.058 1.00 0.00 C ATOM 159 C ASP A 11 -9.746 -16.098 6.168 1.00 0.00 C ATOM 160 O ASP A 11 -9.857 -15.197 7.004 1.00 0.00 O ATOM 161 CB ASP A 11 -11.842 -17.080 7.173 1.00 0.00 C ATOM 162 CG ASP A 11 -13.245 -17.377 6.682 1.00 0.00 C ATOM 163 OD1 ASP A 11 -13.651 -18.557 6.720 1.00 0.00 O ATOM 164 OD2 ASP A 11 -13.938 -16.426 6.260 1.00 0.00 O ATOM 0 H ASP A 11 -9.572 -18.676 6.934 1.00 0.00 H new ATOM 0 HA ASP A 11 -11.289 -17.106 5.093 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.592 -17.762 7.986 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.809 -16.070 7.583 1.00 0.00 H new ATOM 169 N CYS A 12 -8.723 -16.171 5.315 1.00 0.00 N ATOM 170 CA CYS A 12 -7.650 -15.179 5.310 1.00 0.00 C ATOM 171 C CYS A 12 -6.760 -15.330 4.069 1.00 0.00 C ATOM 172 O CYS A 12 -6.918 -16.272 3.289 1.00 0.00 O ATOM 173 CB CYS A 12 -6.805 -15.316 6.579 1.00 0.00 C ATOM 174 SG CYS A 12 -6.080 -16.957 6.815 1.00 0.00 S ATOM 0 H CYS A 12 -8.616 -16.908 4.618 1.00 0.00 H new ATOM 0 HA CYS A 12 -8.104 -14.189 5.283 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -6.003 -14.578 6.549 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -7.426 -15.078 7.443 1.00 0.00 H new ATOM 0 HG CYS A 12 -5.383 -16.970 7.913 1.00 0.00 H new ATOM 180 N CYS A 13 -5.827 -14.394 3.898 1.00 0.00 N ATOM 181 CA CYS A 13 -4.903 -14.407 2.763 1.00 0.00 C ATOM 182 C CYS A 13 -3.609 -13.650 3.099 1.00 0.00 C ATOM 183 O CYS A 13 -3.379 -13.288 4.254 1.00 0.00 O ATOM 184 CB CYS A 13 -5.581 -13.793 1.531 1.00 0.00 C ATOM 185 SG CYS A 13 -5.289 -14.707 -0.003 1.00 0.00 S ATOM 0 H CYS A 13 -5.690 -13.611 4.537 1.00 0.00 H new ATOM 0 HA CYS A 13 -4.638 -15.441 2.544 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -6.655 -13.738 1.710 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -5.226 -12.770 1.406 1.00 0.00 H new ATOM 0 HG CYS A 13 -6.202 -14.395 -0.874 1.00 0.00 H new ATOM 191 N ILE A 14 -2.771 -13.408 2.087 1.00 0.00 N ATOM 192 CA ILE A 14 -1.511 -12.688 2.282 1.00 0.00 C ATOM 193 C ILE A 14 -1.356 -11.577 1.254 1.00 0.00 C ATOM 194 O ILE A 14 -2.061 -11.549 0.245 1.00 0.00 O ATOM 195 CB ILE A 14 -0.267 -13.604 2.210 1.00 0.00 C ATOM 196 CG1 ILE A 14 -0.646 -15.062 1.939 1.00 0.00 C ATOM 197 CG2 ILE A 14 0.544 -13.496 3.492 1.00 0.00 C ATOM 198 CD1 ILE A 14 -0.650 -15.414 0.466 1.00 0.00 C ATOM 0 H ILE A 14 -2.943 -13.700 1.125 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.565 -12.272 3.288 1.00 0.00 H new ATOM 0 HB ILE A 14 0.343 -13.264 1.373 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.054 -15.715 2.460 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.634 -15.257 2.355 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.416 -14.146 3.427 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.870 -12.465 3.631 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -0.072 -13.799 4.339 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.927 -16.461 0.343 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.370 -14.785 -0.057 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.344 -15.250 0.050 1.00 0.00 H new ATOM 210 N ILE A 15 -0.441 -10.652 1.527 1.00 0.00 N ATOM 211 CA ILE A 15 -0.211 -9.521 0.638 1.00 0.00 C ATOM 212 C ILE A 15 1.187 -8.939 0.782 1.00 0.00 C ATOM 213 O ILE A 15 1.712 -8.836 1.885 1.00 0.00 O ATOM 214 CB ILE A 15 -1.229 -8.402 0.941 1.00 0.00 C ATOM 215 CG1 ILE A 15 -2.585 -8.701 0.299 1.00 0.00 C ATOM 216 CG2 ILE A 15 -0.717 -7.048 0.478 1.00 0.00 C ATOM 217 CD1 ILE A 15 -3.519 -7.515 0.308 1.00 0.00 C ATOM 0 H ILE A 15 0.152 -10.664 2.357 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.325 -9.895 -0.379 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.359 -8.367 2.023 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.429 -9.026 -0.730 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.055 -9.530 0.827 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.458 -6.282 0.706 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.215 -6.816 0.993 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.541 -7.074 -0.597 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.463 -7.792 -0.161 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.702 -7.204 1.336 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.067 -6.692 -0.245 1.00 0.00 H new ATOM 229 N ARG A 16 1.749 -8.500 -0.343 1.00 0.00 N ATOM 230 CA ARG A 16 3.053 -7.853 -0.360 1.00 0.00 C ATOM 231 C ARG A 16 2.857 -6.409 -0.825 1.00 0.00 C ATOM 232 O ARG A 16 2.823 -6.121 -2.020 1.00 0.00 O ATOM 233 CB ARG A 16 4.033 -8.622 -1.252 1.00 0.00 C ATOM 234 CG ARG A 16 5.461 -8.102 -1.193 1.00 0.00 C ATOM 235 CD ARG A 16 6.474 -9.236 -1.216 1.00 0.00 C ATOM 236 NE ARG A 16 6.486 -9.938 -2.503 1.00 0.00 N ATOM 237 CZ ARG A 16 7.041 -9.456 -3.617 1.00 0.00 C ATOM 238 NH1 ARG A 16 7.638 -8.270 -3.618 1.00 0.00 N ATOM 239 NH2 ARG A 16 6.995 -10.162 -4.736 1.00 0.00 N ATOM 0 H ARG A 16 1.314 -8.584 -1.262 1.00 0.00 H new ATOM 0 HA ARG A 16 3.491 -7.850 0.638 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.027 -9.672 -0.960 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.683 -8.576 -2.283 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.641 -7.436 -2.037 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.596 -7.512 -0.287 1.00 0.00 H new ATOM 0 HD2 ARG A 16 7.468 -8.838 -1.011 1.00 0.00 H new ATOM 0 HD3 ARG A 16 6.244 -9.944 -0.420 1.00 0.00 H new ATOM 0 HE ARG A 16 6.041 -10.855 -2.550 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.676 -7.717 -2.762 1.00 0.00 H new ATOM 0 HH12 ARG A 16 8.059 -7.912 -4.475 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.536 -11.073 -4.746 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.419 -9.795 -5.588 1.00 0.00 H new ATOM 253 N VAL A 17 2.661 -5.522 0.154 1.00 0.00 N ATOM 254 CA VAL A 17 2.393 -4.101 -0.097 1.00 0.00 C ATOM 255 C VAL A 17 3.670 -3.270 -0.284 1.00 0.00 C ATOM 256 O VAL A 17 4.747 -3.638 0.189 1.00 0.00 O ATOM 257 CB VAL A 17 1.594 -3.477 1.081 1.00 0.00 C ATOM 258 CG1 VAL A 17 2.381 -3.552 2.384 1.00 0.00 C ATOM 259 CG2 VAL A 17 1.215 -2.032 0.782 1.00 0.00 C ATOM 0 H VAL A 17 2.683 -5.767 1.144 1.00 0.00 H new ATOM 0 HA VAL A 17 1.819 -4.072 -1.023 1.00 0.00 H new ATOM 0 HB VAL A 17 0.680 -4.059 1.197 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.795 -3.108 3.189 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.592 -4.595 2.622 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.319 -3.008 2.274 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.657 -1.621 1.623 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.119 -1.444 0.624 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.597 -1.996 -0.115 1.00 0.00 H new ATOM 269 N SER A 18 3.513 -2.120 -0.945 1.00 0.00 N ATOM 270 CA SER A 18 4.611 -1.179 -1.178 1.00 0.00 C ATOM 271 C SER A 18 4.095 0.260 -1.046 1.00 0.00 C ATOM 272 O SER A 18 2.902 0.474 -0.843 1.00 0.00 O ATOM 273 CB SER A 18 5.229 -1.406 -2.564 1.00 0.00 C ATOM 274 OG SER A 18 4.868 -0.383 -3.479 1.00 0.00 O ATOM 0 H SER A 18 2.621 -1.815 -1.334 1.00 0.00 H new ATOM 0 HA SER A 18 5.387 -1.346 -0.431 1.00 0.00 H new ATOM 0 HB2 SER A 18 6.315 -1.447 -2.475 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.904 -2.371 -2.952 1.00 0.00 H new ATOM 0 HG SER A 18 5.506 -0.370 -4.223 1.00 0.00 H new ATOM 280 N LEU A 19 4.986 1.243 -1.160 1.00 0.00 N ATOM 281 CA LEU A 19 4.593 2.650 -1.053 1.00 0.00 C ATOM 282 C LEU A 19 5.404 3.518 -2.016 1.00 0.00 C ATOM 283 O LEU A 19 6.624 3.367 -2.119 1.00 0.00 O ATOM 284 CB LEU A 19 4.777 3.143 0.383 1.00 0.00 C ATOM 285 CG LEU A 19 3.737 2.621 1.377 1.00 0.00 C ATOM 286 CD1 LEU A 19 4.398 1.775 2.452 1.00 0.00 C ATOM 287 CD2 LEU A 19 2.968 3.776 1.999 1.00 0.00 C ATOM 0 H LEU A 19 5.981 1.094 -1.326 1.00 0.00 H new ATOM 0 HA LEU A 19 3.540 2.731 -1.324 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.769 2.851 0.729 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.747 4.233 0.385 1.00 0.00 H new ATOM 0 HG LEU A 19 3.031 1.991 0.836 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.641 1.414 3.148 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.900 0.925 1.989 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.129 2.378 2.991 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.233 3.386 2.703 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.661 4.433 2.524 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.458 4.337 1.216 1.00 0.00 H new ATOM 299 N ASP A 20 4.725 4.424 -2.725 1.00 0.00 N ATOM 300 CA ASP A 20 5.400 5.303 -3.683 1.00 0.00 C ATOM 301 C ASP A 20 4.587 6.569 -3.975 1.00 0.00 C ATOM 302 O ASP A 20 4.033 6.731 -5.064 1.00 0.00 O ATOM 303 CB ASP A 20 5.673 4.541 -4.981 1.00 0.00 C ATOM 304 CG ASP A 20 6.538 5.324 -5.952 1.00 0.00 C ATOM 305 OD1 ASP A 20 7.689 5.655 -5.592 1.00 0.00 O ATOM 306 OD2 ASP A 20 6.065 5.604 -7.073 1.00 0.00 O ATOM 0 H ASP A 20 3.718 4.567 -2.655 1.00 0.00 H new ATOM 0 HA ASP A 20 6.343 5.619 -3.236 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.163 3.596 -4.746 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.725 4.298 -5.461 1.00 0.00 H new ATOM 311 N VAL A 21 4.542 7.468 -2.995 1.00 0.00 N ATOM 312 CA VAL A 21 3.820 8.737 -3.132 1.00 0.00 C ATOM 313 C VAL A 21 4.458 9.811 -2.250 1.00 0.00 C ATOM 314 O VAL A 21 5.251 10.624 -2.726 1.00 0.00 O ATOM 315 CB VAL A 21 2.317 8.594 -2.790 1.00 0.00 C ATOM 316 CG1 VAL A 21 1.602 9.933 -2.905 1.00 0.00 C ATOM 317 CG2 VAL A 21 1.659 7.566 -3.692 1.00 0.00 C ATOM 0 H VAL A 21 4.999 7.343 -2.092 1.00 0.00 H new ATOM 0 HA VAL A 21 3.892 9.037 -4.178 1.00 0.00 H new ATOM 0 HB VAL A 21 2.239 8.253 -1.758 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.548 9.805 -2.660 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.051 10.646 -2.214 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.694 10.308 -3.924 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.603 7.480 -3.436 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.756 7.879 -4.732 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.145 6.600 -3.557 1.00 0.00 H new ATOM 327 N ASP A 22 4.124 9.790 -0.963 1.00 0.00 N ATOM 328 CA ASP A 22 4.675 10.740 -0.001 1.00 0.00 C ATOM 329 C ASP A 22 5.599 10.031 0.995 1.00 0.00 C ATOM 330 O ASP A 22 6.240 10.677 1.826 1.00 0.00 O ATOM 331 CB ASP A 22 3.546 11.455 0.748 1.00 0.00 C ATOM 332 CG ASP A 22 2.692 12.313 -0.165 1.00 0.00 C ATOM 333 OD1 ASP A 22 3.147 13.411 -0.546 1.00 0.00 O ATOM 334 OD2 ASP A 22 1.566 11.885 -0.497 1.00 0.00 O ATOM 0 H ASP A 22 3.469 9.120 -0.560 1.00 0.00 H new ATOM 0 HA ASP A 22 5.259 11.479 -0.549 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.915 10.714 1.239 1.00 0.00 H new ATOM 0 HB3 ASP A 22 3.974 12.080 1.532 1.00 0.00 H new ATOM 339 N ASN A 23 5.660 8.699 0.901 1.00 0.00 N ATOM 340 CA ASN A 23 6.497 7.894 1.784 1.00 0.00 C ATOM 341 C ASN A 23 7.146 6.746 1.006 1.00 0.00 C ATOM 342 O ASN A 23 6.593 5.646 0.924 1.00 0.00 O ATOM 343 CB ASN A 23 5.660 7.340 2.944 1.00 0.00 C ATOM 344 CG ASN A 23 4.822 8.408 3.632 1.00 0.00 C ATOM 345 OD1 ASN A 23 3.719 8.725 3.186 1.00 0.00 O ATOM 346 ND2 ASN A 23 5.336 8.972 4.722 1.00 0.00 N ATOM 0 H ASN A 23 5.134 8.156 0.216 1.00 0.00 H new ATOM 0 HA ASN A 23 7.286 8.528 2.189 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.003 6.555 2.569 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.323 6.878 3.676 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.813 9.693 5.218 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.253 8.683 5.062 1.00 0.00 H new ATOM 353 N GLY A 24 8.318 7.015 0.427 1.00 0.00 N ATOM 354 CA GLY A 24 9.027 6.006 -0.346 1.00 0.00 C ATOM 355 C GLY A 24 9.612 4.907 0.521 1.00 0.00 C ATOM 356 O GLY A 24 10.770 4.986 0.935 1.00 0.00 O ATOM 0 H GLY A 24 8.790 7.918 0.481 1.00 0.00 H new ATOM 0 HA2 GLY A 24 8.345 5.565 -1.073 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.828 6.483 -0.910 1.00 0.00 H new ATOM 360 N ASN A 25 8.807 3.883 0.799 1.00 0.00 N ATOM 361 CA ASN A 25 9.244 2.761 1.629 1.00 0.00 C ATOM 362 C ASN A 25 9.455 1.495 0.797 1.00 0.00 C ATOM 363 O ASN A 25 8.981 1.393 -0.336 1.00 0.00 O ATOM 364 CB ASN A 25 8.224 2.496 2.739 1.00 0.00 C ATOM 365 CG ASN A 25 8.792 2.761 4.121 1.00 0.00 C ATOM 366 OD1 ASN A 25 9.145 1.830 4.843 1.00 0.00 O ATOM 367 ND2 ASN A 25 8.890 4.033 4.495 1.00 0.00 N ATOM 0 H ASN A 25 7.848 3.807 0.461 1.00 0.00 H new ATOM 0 HA ASN A 25 10.201 3.031 2.076 1.00 0.00 H new ATOM 0 HB2 ASN A 25 7.348 3.126 2.582 1.00 0.00 H new ATOM 0 HB3 ASN A 25 7.887 1.461 2.680 1.00 0.00 H new ATOM 0 HD21 ASN A 25 9.270 4.267 5.412 1.00 0.00 H new ATOM 0 HD22 ASN A 25 8.585 4.775 3.865 1.00 0.00 H new ATOM 374 N MET A 26 10.172 0.529 1.374 1.00 0.00 N ATOM 375 CA MET A 26 10.452 -0.738 0.698 1.00 0.00 C ATOM 376 C MET A 26 9.253 -1.686 0.780 1.00 0.00 C ATOM 377 O MET A 26 8.389 -1.534 1.645 1.00 0.00 O ATOM 378 CB MET A 26 11.693 -1.402 1.310 1.00 0.00 C ATOM 379 CG MET A 26 12.952 -1.230 0.474 1.00 0.00 C ATOM 380 SD MET A 26 12.948 -2.256 -1.009 1.00 0.00 S ATOM 381 CE MET A 26 13.795 -3.718 -0.413 1.00 0.00 C ATOM 0 H MET A 26 10.570 0.601 2.310 1.00 0.00 H new ATOM 0 HA MET A 26 10.643 -0.524 -0.354 1.00 0.00 H new ATOM 0 HB2 MET A 26 11.866 -0.984 2.302 1.00 0.00 H new ATOM 0 HB3 MET A 26 11.497 -2.466 1.442 1.00 0.00 H new ATOM 0 HG2 MET A 26 13.052 -0.183 0.186 1.00 0.00 H new ATOM 0 HG3 MET A 26 13.823 -1.479 1.081 1.00 0.00 H new ATOM 0 HE1 MET A 26 13.871 -4.448 -1.219 1.00 0.00 H new ATOM 0 HE2 MET A 26 14.795 -3.446 -0.074 1.00 0.00 H new ATOM 0 HE3 MET A 26 13.235 -4.150 0.417 1.00 0.00 H new ATOM 391 N TYR A 27 9.207 -2.666 -0.127 1.00 0.00 N ATOM 392 CA TYR A 27 8.113 -3.641 -0.158 1.00 0.00 C ATOM 393 C TYR A 27 8.045 -4.435 1.147 1.00 0.00 C ATOM 394 O TYR A 27 9.075 -4.788 1.723 1.00 0.00 O ATOM 395 CB TYR A 27 8.289 -4.610 -1.334 1.00 0.00 C ATOM 396 CG TYR A 27 7.291 -4.411 -2.452 1.00 0.00 C ATOM 397 CD1 TYR A 27 5.951 -4.742 -2.283 1.00 0.00 C ATOM 398 CD2 TYR A 27 7.691 -3.901 -3.681 1.00 0.00 C ATOM 399 CE1 TYR A 27 5.041 -4.568 -3.309 1.00 0.00 C ATOM 400 CE2 TYR A 27 6.785 -3.726 -4.711 1.00 0.00 C ATOM 401 CZ TYR A 27 5.462 -4.061 -4.519 1.00 0.00 C ATOM 402 OH TYR A 27 4.557 -3.889 -5.540 1.00 0.00 O ATOM 0 H TYR A 27 9.914 -2.805 -0.849 1.00 0.00 H new ATOM 0 HA TYR A 27 7.182 -3.087 -0.281 1.00 0.00 H new ATOM 0 HB2 TYR A 27 9.296 -4.498 -1.736 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.206 -5.632 -0.964 1.00 0.00 H new ATOM 0 HD1 TYR A 27 5.616 -5.141 -1.337 1.00 0.00 H new ATOM 0 HD2 TYR A 27 8.727 -3.637 -3.834 1.00 0.00 H new ATOM 0 HE1 TYR A 27 4.003 -4.829 -3.163 1.00 0.00 H new ATOM 0 HE2 TYR A 27 7.112 -3.329 -5.661 1.00 0.00 H new ATOM 0 HH TYR A 27 4.514 -4.706 -6.080 1.00 0.00 H new ATOM 412 N LYS A 28 6.824 -4.722 1.598 1.00 0.00 N ATOM 413 CA LYS A 28 6.612 -5.486 2.832 1.00 0.00 C ATOM 414 C LYS A 28 5.299 -6.268 2.756 1.00 0.00 C ATOM 415 O LYS A 28 4.286 -5.743 2.297 1.00 0.00 O ATOM 416 CB LYS A 28 6.590 -4.560 4.059 1.00 0.00 C ATOM 417 CG LYS A 28 7.908 -3.850 4.345 1.00 0.00 C ATOM 418 CD LYS A 28 9.012 -4.830 4.718 1.00 0.00 C ATOM 419 CE LYS A 28 10.392 -4.227 4.495 1.00 0.00 C ATOM 420 NZ LYS A 28 10.604 -2.993 5.306 1.00 0.00 N ATOM 0 H LYS A 28 5.964 -4.438 1.128 1.00 0.00 H new ATOM 0 HA LYS A 28 7.442 -6.184 2.938 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.812 -3.810 3.917 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.311 -5.146 4.935 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.211 -3.279 3.467 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.767 -3.136 5.156 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.905 -5.120 5.763 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.910 -5.738 4.124 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.154 -4.963 4.750 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.518 -3.992 3.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.593 -2.683 5.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.973 -2.240 4.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.395 -3.194 6.305 1.00 0.00 H new ATOM 434 N SER A 29 5.316 -7.520 3.209 1.00 0.00 N ATOM 435 CA SER A 29 4.115 -8.353 3.183 1.00 0.00 C ATOM 436 C SER A 29 3.356 -8.269 4.510 1.00 0.00 C ATOM 437 O SER A 29 3.955 -8.090 5.573 1.00 0.00 O ATOM 438 CB SER A 29 4.482 -9.812 2.865 1.00 0.00 C ATOM 439 OG SER A 29 4.121 -10.692 3.920 1.00 0.00 O ATOM 0 H SER A 29 6.141 -7.978 3.596 1.00 0.00 H new ATOM 0 HA SER A 29 3.460 -7.977 2.397 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.981 -10.121 1.948 1.00 0.00 H new ATOM 0 HB3 SER A 29 5.554 -9.885 2.682 1.00 0.00 H new ATOM 0 HG SER A 29 4.369 -11.609 3.680 1.00 0.00 H new ATOM 445 N ILE A 30 2.035 -8.407 4.431 1.00 0.00 N ATOM 446 CA ILE A 30 1.170 -8.358 5.609 1.00 0.00 C ATOM 447 C ILE A 30 0.023 -9.361 5.471 1.00 0.00 C ATOM 448 O ILE A 30 -0.436 -9.640 4.360 1.00 0.00 O ATOM 449 CB ILE A 30 0.566 -6.945 5.845 1.00 0.00 C ATOM 450 CG1 ILE A 30 1.184 -5.886 4.916 1.00 0.00 C ATOM 451 CG2 ILE A 30 0.728 -6.526 7.302 1.00 0.00 C ATOM 452 CD1 ILE A 30 2.559 -5.415 5.344 1.00 0.00 C ATOM 0 H ILE A 30 1.535 -8.555 3.554 1.00 0.00 H new ATOM 0 HA ILE A 30 1.798 -8.610 6.463 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.496 -7.009 5.608 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.249 -6.296 3.908 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.516 -5.026 4.868 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.299 -5.534 7.445 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.214 -7.240 7.945 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.787 -6.503 7.558 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.925 -4.670 4.637 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.499 -4.973 6.339 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.244 -6.263 5.364 1.00 0.00 H new ATOM 464 N LEU A 31 -0.442 -9.901 6.600 1.00 0.00 N ATOM 465 CA LEU A 31 -1.540 -10.866 6.586 1.00 0.00 C ATOM 466 C LEU A 31 -2.846 -10.189 6.174 1.00 0.00 C ATOM 467 O LEU A 31 -3.054 -9.003 6.434 1.00 0.00 O ATOM 468 CB LEU A 31 -1.703 -11.528 7.960 1.00 0.00 C ATOM 469 CG LEU A 31 -0.916 -12.826 8.148 1.00 0.00 C ATOM 470 CD1 LEU A 31 -0.196 -12.827 9.489 1.00 0.00 C ATOM 471 CD2 LEU A 31 -1.839 -14.032 8.037 1.00 0.00 C ATOM 0 H LEU A 31 -0.077 -9.687 7.528 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.299 -11.638 5.855 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.394 -10.819 8.728 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.761 -11.735 8.124 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.169 -12.891 7.357 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.358 -13.759 9.604 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.496 -11.986 9.531 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.926 -12.737 10.294 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.261 -14.946 8.173 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.610 -13.972 8.805 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.307 -14.042 7.053 1.00 0.00 H new ATOM 483 N VAL A 32 -3.711 -10.947 5.513 1.00 0.00 N ATOM 484 CA VAL A 32 -4.991 -10.427 5.039 1.00 0.00 C ATOM 485 C VAL A 32 -6.143 -11.333 5.465 1.00 0.00 C ATOM 486 O VAL A 32 -5.947 -12.523 5.708 1.00 0.00 O ATOM 487 CB VAL A 32 -4.981 -10.294 3.500 1.00 0.00 C ATOM 488 CG1 VAL A 32 -6.304 -9.755 2.981 1.00 0.00 C ATOM 489 CG2 VAL A 32 -3.830 -9.404 3.056 1.00 0.00 C ATOM 0 H VAL A 32 -3.550 -11.929 5.291 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.137 -9.444 5.486 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.841 -11.289 3.077 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.263 -9.674 1.895 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.109 -10.433 3.264 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.490 -8.771 3.412 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.834 -9.319 1.969 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.944 -8.414 3.498 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.886 -9.841 3.382 1.00 0.00 H new ATOM 499 N THR A 33 -7.345 -10.766 5.553 1.00 0.00 N ATOM 500 CA THR A 33 -8.525 -11.533 5.946 1.00 0.00 C ATOM 501 C THR A 33 -9.399 -11.860 4.733 1.00 0.00 C ATOM 502 O THR A 33 -9.171 -11.347 3.635 1.00 0.00 O ATOM 503 CB THR A 33 -9.343 -10.765 6.986 1.00 0.00 C ATOM 504 OG1 THR A 33 -9.771 -9.511 6.472 1.00 0.00 O ATOM 505 CG2 THR A 33 -8.587 -10.503 8.272 1.00 0.00 C ATOM 0 H THR A 33 -7.527 -9.781 5.358 1.00 0.00 H new ATOM 0 HA THR A 33 -8.182 -12.469 6.386 1.00 0.00 H new ATOM 0 HB THR A 33 -10.194 -11.408 7.210 1.00 0.00 H new ATOM 0 HG1 THR A 33 -8.993 -8.933 6.330 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.226 -9.955 8.964 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.294 -11.452 8.722 1.00 0.00 H new ATOM 0 HG23 THR A 33 -7.696 -9.913 8.057 1.00 0.00 H new ATOM 513 N SER A 34 -10.403 -12.716 4.941 1.00 0.00 N ATOM 514 CA SER A 34 -11.316 -13.119 3.868 1.00 0.00 C ATOM 515 C SER A 34 -12.029 -11.912 3.253 1.00 0.00 C ATOM 516 O SER A 34 -12.353 -11.917 2.064 1.00 0.00 O ATOM 517 CB SER A 34 -12.356 -14.118 4.391 1.00 0.00 C ATOM 518 OG SER A 34 -12.303 -14.235 5.803 1.00 0.00 O ATOM 0 H SER A 34 -10.604 -13.144 5.845 1.00 0.00 H new ATOM 0 HA SER A 34 -10.715 -13.595 3.093 1.00 0.00 H new ATOM 0 HB2 SER A 34 -13.353 -13.798 4.089 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.184 -15.094 3.938 1.00 0.00 H new ATOM 0 HG SER A 34 -12.963 -14.895 6.102 1.00 0.00 H new ATOM 524 N GLN A 35 -12.274 -10.883 4.066 1.00 0.00 N ATOM 525 CA GLN A 35 -12.949 -9.678 3.594 1.00 0.00 C ATOM 526 C GLN A 35 -12.264 -8.417 4.120 1.00 0.00 C ATOM 527 O GLN A 35 -12.880 -7.597 4.807 1.00 0.00 O ATOM 528 CB GLN A 35 -14.421 -9.700 4.013 1.00 0.00 C ATOM 529 CG GLN A 35 -15.325 -10.419 3.022 1.00 0.00 C ATOM 530 CD GLN A 35 -16.801 -10.215 3.314 1.00 0.00 C ATOM 531 OE1 GLN A 35 -17.532 -9.663 2.494 1.00 0.00 O ATOM 532 NE2 GLN A 35 -17.251 -10.657 4.486 1.00 0.00 N ATOM 0 H GLN A 35 -12.015 -10.862 5.052 1.00 0.00 H new ATOM 0 HA GLN A 35 -12.890 -9.661 2.506 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -14.506 -10.183 4.986 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -14.771 -8.675 4.134 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -15.107 -10.064 2.015 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -15.100 -11.485 3.040 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -16.612 -11.110 5.140 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -18.235 -10.543 4.731 1.00 0.00 H new ATOM 541 N ASP A 36 -10.984 -8.263 3.784 1.00 0.00 N ATOM 542 CA ASP A 36 -10.209 -7.097 4.209 1.00 0.00 C ATOM 543 C ASP A 36 -10.802 -5.815 3.623 1.00 0.00 C ATOM 544 O ASP A 36 -11.573 -5.861 2.660 1.00 0.00 O ATOM 545 CB ASP A 36 -8.746 -7.247 3.790 1.00 0.00 C ATOM 546 CG ASP A 36 -7.776 -6.829 4.875 1.00 0.00 C ATOM 547 OD1 ASP A 36 -7.567 -7.622 5.819 1.00 0.00 O ATOM 548 OD2 ASP A 36 -7.220 -5.716 4.778 1.00 0.00 O ATOM 0 H ASP A 36 -10.461 -8.931 3.218 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.254 -7.032 5.296 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.555 -8.286 3.520 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -8.566 -6.647 2.898 1.00 0.00 H new ATOM 553 N LYS A 37 -10.455 -4.673 4.214 1.00 0.00 N ATOM 554 CA LYS A 37 -10.980 -3.388 3.746 1.00 0.00 C ATOM 555 C LYS A 37 -9.907 -2.300 3.742 1.00 0.00 C ATOM 556 O LYS A 37 -8.926 -2.379 4.484 1.00 0.00 O ATOM 557 CB LYS A 37 -12.161 -2.946 4.618 1.00 0.00 C ATOM 558 CG LYS A 37 -13.210 -4.029 4.841 1.00 0.00 C ATOM 559 CD LYS A 37 -14.318 -3.963 3.804 1.00 0.00 C ATOM 560 CE LYS A 37 -14.827 -5.349 3.439 1.00 0.00 C ATOM 561 NZ LYS A 37 -14.149 -5.888 2.226 1.00 0.00 N ATOM 0 H LYS A 37 -9.820 -4.609 5.009 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.317 -3.531 2.719 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.781 -2.618 5.586 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -12.638 -2.083 4.154 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -12.734 -5.009 4.803 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -13.638 -3.921 5.838 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -15.142 -3.362 4.189 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.950 -3.463 2.908 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -14.666 -6.027 4.277 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -15.902 -5.307 3.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.409 -6.887 2.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.446 -5.343 1.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.118 -5.811 2.341 1.00 0.00 H new ATOM 575 N ALA A 38 -10.112 -1.284 2.888 1.00 0.00 N ATOM 576 CA ALA A 38 -9.177 -0.155 2.748 1.00 0.00 C ATOM 577 C ALA A 38 -8.510 0.250 4.071 1.00 0.00 C ATOM 578 O ALA A 38 -7.283 0.217 4.177 1.00 0.00 O ATOM 579 CB ALA A 38 -9.885 1.044 2.131 1.00 0.00 C ATOM 0 H ALA A 38 -10.927 -1.222 2.278 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.380 -0.496 2.088 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -9.182 1.871 2.033 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -10.267 0.774 1.146 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -10.714 1.346 2.771 1.00 0.00 H new ATOM 585 N PRO A 39 -9.298 0.657 5.096 1.00 0.00 N ATOM 586 CA PRO A 39 -8.751 1.081 6.392 1.00 0.00 C ATOM 587 C PRO A 39 -7.767 0.073 6.983 1.00 0.00 C ATOM 588 O PRO A 39 -6.735 0.457 7.535 1.00 0.00 O ATOM 589 CB PRO A 39 -9.982 1.232 7.300 1.00 0.00 C ATOM 590 CG PRO A 39 -11.147 0.703 6.524 1.00 0.00 C ATOM 591 CD PRO A 39 -10.765 0.755 5.068 1.00 0.00 C ATOM 0 HA PRO A 39 -8.178 2.002 6.289 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -9.850 0.677 8.229 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.138 2.276 7.572 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -11.380 -0.318 6.826 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -12.039 1.302 6.711 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -11.212 -0.065 4.506 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -11.097 1.681 4.598 1.00 0.00 H new ATOM 599 N ALA A 40 -8.080 -1.214 6.850 1.00 0.00 N ATOM 600 CA ALA A 40 -7.212 -2.273 7.359 1.00 0.00 C ATOM 601 C ALA A 40 -5.972 -2.431 6.481 1.00 0.00 C ATOM 602 O ALA A 40 -4.892 -2.760 6.974 1.00 0.00 O ATOM 603 CB ALA A 40 -7.972 -3.589 7.450 1.00 0.00 C ATOM 0 H ALA A 40 -8.929 -1.549 6.394 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.885 -1.991 8.360 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.309 -4.366 7.831 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.821 -3.473 8.124 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.331 -3.871 6.460 1.00 0.00 H new ATOM 609 N VAL A 41 -6.132 -2.185 5.178 1.00 0.00 N ATOM 610 CA VAL A 41 -5.028 -2.290 4.226 1.00 0.00 C ATOM 611 C VAL A 41 -3.888 -1.349 4.604 1.00 0.00 C ATOM 612 O VAL A 41 -2.747 -1.783 4.777 1.00 0.00 O ATOM 613 CB VAL A 41 -5.477 -1.951 2.789 1.00 0.00 C ATOM 614 CG1 VAL A 41 -4.351 -2.211 1.798 1.00 0.00 C ATOM 615 CG2 VAL A 41 -6.723 -2.729 2.405 1.00 0.00 C ATOM 0 H VAL A 41 -7.020 -1.911 4.759 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.687 -3.325 4.263 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.724 -0.890 2.757 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.689 -1.966 0.791 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.491 -1.592 2.053 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.066 -3.262 1.839 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.015 -2.469 1.388 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.516 -3.798 2.461 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.533 -2.479 3.090 1.00 0.00 H new ATOM 625 N ILE A 42 -4.207 -0.059 4.725 1.00 0.00 N ATOM 626 CA ILE A 42 -3.212 0.948 5.077 1.00 0.00 C ATOM 627 C ILE A 42 -2.704 0.743 6.502 1.00 0.00 C ATOM 628 O ILE A 42 -1.504 0.842 6.758 1.00 0.00 O ATOM 629 CB ILE A 42 -3.771 2.379 4.929 1.00 0.00 C ATOM 630 CG1 ILE A 42 -4.169 2.649 3.475 1.00 0.00 C ATOM 631 CG2 ILE A 42 -2.746 3.403 5.396 1.00 0.00 C ATOM 632 CD1 ILE A 42 -5.652 2.883 3.284 1.00 0.00 C ATOM 0 H ILE A 42 -5.147 0.310 4.584 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.382 0.828 4.381 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.659 2.468 5.555 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.623 3.521 3.114 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.861 1.803 2.860 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.157 4.406 5.284 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.504 3.224 6.444 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.841 3.313 4.795 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.858 3.067 2.230 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -6.205 2.003 3.613 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.963 3.747 3.871 1.00 0.00 H new ATOM 644 N ARG A 43 -3.622 0.446 7.425 1.00 0.00 N ATOM 645 CA ARG A 43 -3.254 0.217 8.820 1.00 0.00 C ATOM 646 C ARG A 43 -2.246 -0.928 8.929 1.00 0.00 C ATOM 647 O ARG A 43 -1.228 -0.805 9.611 1.00 0.00 O ATOM 648 CB ARG A 43 -4.498 -0.083 9.664 1.00 0.00 C ATOM 649 CG ARG A 43 -4.295 0.137 11.157 1.00 0.00 C ATOM 650 CD ARG A 43 -4.523 1.591 11.551 1.00 0.00 C ATOM 651 NE ARG A 43 -5.937 1.969 11.485 1.00 0.00 N ATOM 652 CZ ARG A 43 -6.413 3.151 11.876 1.00 0.00 C ATOM 653 NH1 ARG A 43 -5.600 4.079 12.363 1.00 0.00 N ATOM 654 NH2 ARG A 43 -7.710 3.406 11.776 1.00 0.00 N ATOM 0 H ARG A 43 -4.620 0.359 7.231 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.788 1.125 9.204 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -5.319 0.547 9.322 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.799 -1.117 9.496 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.979 -0.502 11.715 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.284 -0.160 11.434 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.153 1.753 12.563 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.945 2.239 10.892 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.598 1.285 11.117 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -4.600 3.891 12.441 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -5.974 4.980 12.659 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -8.341 2.698 11.400 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -8.077 4.310 12.075 1.00 0.00 H new ATOM 668 N LYS A 44 -2.525 -2.035 8.236 1.00 0.00 N ATOM 669 CA LYS A 44 -1.630 -3.191 8.246 1.00 0.00 C ATOM 670 C LYS A 44 -0.305 -2.851 7.563 1.00 0.00 C ATOM 671 O LYS A 44 0.768 -3.206 8.059 1.00 0.00 O ATOM 672 CB LYS A 44 -2.294 -4.387 7.559 1.00 0.00 C ATOM 673 CG LYS A 44 -3.336 -5.077 8.425 1.00 0.00 C ATOM 674 CD LYS A 44 -3.833 -6.365 7.786 1.00 0.00 C ATOM 675 CE LYS A 44 -4.681 -6.088 6.553 1.00 0.00 C ATOM 676 NZ LYS A 44 -4.192 -6.838 5.361 1.00 0.00 N ATOM 0 H LYS A 44 -3.361 -2.153 7.663 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.424 -3.457 9.283 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.765 -4.051 6.635 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.527 -5.110 7.281 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.909 -5.297 9.403 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.177 -4.404 8.589 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.982 -6.987 7.510 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.419 -6.929 8.512 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.716 -6.363 6.755 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.671 -5.019 6.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.993 -7.310 4.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.744 -6.177 4.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.497 -7.551 5.661 1.00 0.00 H new ATOM 690 N ALA A 45 -0.383 -2.143 6.431 1.00 0.00 N ATOM 691 CA ALA A 45 0.814 -1.738 5.701 1.00 0.00 C ATOM 692 C ALA A 45 1.699 -0.847 6.574 1.00 0.00 C ATOM 693 O ALA A 45 2.925 -0.930 6.509 1.00 0.00 O ATOM 694 CB ALA A 45 0.438 -1.029 4.405 1.00 0.00 C ATOM 0 H ALA A 45 -1.260 -1.842 6.005 1.00 0.00 H new ATOM 0 HA ALA A 45 1.381 -2.633 5.444 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.344 -0.735 3.875 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.147 -1.702 3.778 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.153 -0.142 4.634 1.00 0.00 H new ATOM 700 N MET A 46 1.068 -0.013 7.408 1.00 0.00 N ATOM 701 CA MET A 46 1.800 0.874 8.313 1.00 0.00 C ATOM 702 C MET A 46 2.566 0.059 9.360 1.00 0.00 C ATOM 703 O MET A 46 3.651 0.449 9.777 1.00 0.00 O ATOM 704 CB MET A 46 0.845 1.870 8.998 1.00 0.00 C ATOM 705 CG MET A 46 0.478 1.503 10.431 1.00 0.00 C ATOM 706 SD MET A 46 -1.141 2.122 10.921 1.00 0.00 S ATOM 707 CE MET A 46 -1.300 1.374 12.540 1.00 0.00 C ATOM 0 H MET A 46 0.053 0.065 7.474 1.00 0.00 H new ATOM 0 HA MET A 46 2.518 1.443 7.723 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.306 2.858 8.995 1.00 0.00 H new ATOM 0 HB3 MET A 46 -0.069 1.943 8.409 1.00 0.00 H new ATOM 0 HG2 MET A 46 0.494 0.418 10.538 1.00 0.00 H new ATOM 0 HG3 MET A 46 1.234 1.902 11.108 1.00 0.00 H new ATOM 0 HE1 MET A 46 -2.174 1.784 13.046 1.00 0.00 H new ATOM 0 HE2 MET A 46 -1.416 0.295 12.433 1.00 0.00 H new ATOM 0 HE3 MET A 46 -0.407 1.586 13.128 1.00 0.00 H new ATOM 717 N ASP A 47 2.005 -1.084 9.770 1.00 0.00 N ATOM 718 CA ASP A 47 2.669 -1.945 10.751 1.00 0.00 C ATOM 719 C ASP A 47 4.028 -2.400 10.217 1.00 0.00 C ATOM 720 O ASP A 47 4.992 -2.535 10.974 1.00 0.00 O ATOM 721 CB ASP A 47 1.795 -3.157 11.095 1.00 0.00 C ATOM 722 CG ASP A 47 0.587 -2.778 11.930 1.00 0.00 C ATOM 723 OD1 ASP A 47 0.777 -2.311 13.073 1.00 0.00 O ATOM 724 OD2 ASP A 47 -0.548 -2.949 11.440 1.00 0.00 O ATOM 0 H ASP A 47 1.103 -1.430 9.442 1.00 0.00 H new ATOM 0 HA ASP A 47 2.824 -1.370 11.664 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.462 -3.635 10.174 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.392 -3.891 11.636 1.00 0.00 H new ATOM 729 N LYS A 48 4.102 -2.599 8.900 1.00 0.00 N ATOM 730 CA LYS A 48 5.351 -2.994 8.253 1.00 0.00 C ATOM 731 C LYS A 48 6.136 -1.752 7.818 1.00 0.00 C ATOM 732 O LYS A 48 7.361 -1.796 7.683 1.00 0.00 O ATOM 733 CB LYS A 48 5.087 -3.909 7.050 1.00 0.00 C ATOM 734 CG LYS A 48 5.203 -5.391 7.379 1.00 0.00 C ATOM 735 CD LYS A 48 6.590 -5.745 7.898 1.00 0.00 C ATOM 736 CE LYS A 48 6.605 -5.895 9.414 1.00 0.00 C ATOM 737 NZ LYS A 48 7.449 -4.856 10.077 1.00 0.00 N ATOM 0 H LYS A 48 3.313 -2.493 8.263 1.00 0.00 H new ATOM 0 HA LYS A 48 5.945 -3.554 8.975 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.088 -3.708 6.662 1.00 0.00 H new ATOM 0 HB3 LYS A 48 5.792 -3.665 6.256 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.456 -5.658 8.126 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.987 -5.980 6.488 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.924 -6.675 7.437 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.298 -4.970 7.602 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.585 -5.829 9.794 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.979 -6.885 9.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.212 -5.318 10.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 7.861 -4.231 9.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.862 -4.295 10.726 1.00 0.00 H new ATOM 751 N HIS A 49 5.416 -0.642 7.616 1.00 0.00 N ATOM 752 CA HIS A 49 6.007 0.622 7.220 1.00 0.00 C ATOM 753 C HIS A 49 5.670 1.695 8.252 1.00 0.00 C ATOM 754 O HIS A 49 5.068 2.718 7.924 1.00 0.00 O ATOM 755 CB HIS A 49 5.466 1.046 5.863 1.00 0.00 C ATOM 756 CG HIS A 49 5.624 0.021 4.794 1.00 0.00 C ATOM 757 ND1 HIS A 49 4.610 -0.818 4.396 1.00 0.00 N ATOM 758 CD2 HIS A 49 6.688 -0.285 4.029 1.00 0.00 C ATOM 759 CE1 HIS A 49 5.046 -1.599 3.428 1.00 0.00 C ATOM 760 NE2 HIS A 49 6.306 -1.295 3.185 1.00 0.00 N ATOM 0 H HIS A 49 4.403 -0.605 7.726 1.00 0.00 H new ATOM 0 HA HIS A 49 7.088 0.501 7.157 1.00 0.00 H new ATOM 0 HB2 HIS A 49 4.408 1.287 5.966 1.00 0.00 H new ATOM 0 HB3 HIS A 49 5.972 1.960 5.552 1.00 0.00 H new ATOM 0 HD1 HIS A 49 3.669 -0.834 4.788 1.00 0.00 H new ATOM 0 HD2 HIS A 49 7.662 0.179 4.072 1.00 0.00 H new ATOM 0 HE1 HIS A 49 4.470 -2.358 2.920 1.00 0.00 H new ATOM 0 HE2 HIS A 49 6.899 -1.739 2.484 1.00 0.00 H new ATOM 769 N ASN A 50 6.034 1.440 9.507 1.00 0.00 N ATOM 770 CA ASN A 50 5.750 2.374 10.601 1.00 0.00 C ATOM 771 C ASN A 50 6.587 3.648 10.466 1.00 0.00 C ATOM 772 O ASN A 50 7.361 4.000 11.359 1.00 0.00 O ATOM 773 CB ASN A 50 5.997 1.702 11.964 1.00 0.00 C ATOM 774 CG ASN A 50 5.106 2.258 13.072 1.00 0.00 C ATOM 775 OD1 ASN A 50 4.383 1.505 13.720 1.00 0.00 O ATOM 776 ND2 ASN A 50 5.146 3.573 13.305 1.00 0.00 N ATOM 0 H ASN A 50 6.527 0.594 9.794 1.00 0.00 H new ATOM 0 HA ASN A 50 4.699 2.655 10.542 1.00 0.00 H new ATOM 0 HB2 ASN A 50 5.825 0.630 11.871 1.00 0.00 H new ATOM 0 HB3 ASN A 50 7.042 1.834 12.244 1.00 0.00 H new ATOM 0 HD21 ASN A 50 4.565 3.979 14.039 1.00 0.00 H new ATOM 0 HD22 ASN A 50 5.757 4.171 12.749 1.00 0.00 H new ATOM 783 N LEU A 51 6.421 4.334 9.336 1.00 0.00 N ATOM 784 CA LEU A 51 7.153 5.569 9.065 1.00 0.00 C ATOM 785 C LEU A 51 6.217 6.652 8.521 1.00 0.00 C ATOM 786 O LEU A 51 6.247 6.979 7.332 1.00 0.00 O ATOM 787 CB LEU A 51 8.294 5.297 8.076 1.00 0.00 C ATOM 788 CG LEU A 51 9.266 4.192 8.499 1.00 0.00 C ATOM 789 CD1 LEU A 51 9.031 2.924 7.690 1.00 0.00 C ATOM 790 CD2 LEU A 51 10.705 4.661 8.352 1.00 0.00 C ATOM 0 H LEU A 51 5.783 4.053 8.591 1.00 0.00 H new ATOM 0 HA LEU A 51 7.577 5.932 10.001 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.863 5.031 7.111 1.00 0.00 H new ATOM 0 HB3 LEU A 51 8.857 6.219 7.931 1.00 0.00 H new ATOM 0 HG LEU A 51 9.084 3.963 9.549 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.733 2.154 8.009 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.011 2.574 7.850 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.180 3.135 6.631 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.381 3.862 8.657 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.898 4.922 7.311 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.869 5.535 8.982 1.00 0.00 H new ATOM 802 N GLU A 52 5.394 7.208 9.413 1.00 0.00 N ATOM 803 CA GLU A 52 4.444 8.263 9.054 1.00 0.00 C ATOM 804 C GLU A 52 3.544 7.852 7.883 1.00 0.00 C ATOM 805 O GLU A 52 3.184 8.677 7.039 1.00 0.00 O ATOM 806 CB GLU A 52 5.208 9.538 8.711 1.00 0.00 C ATOM 807 CG GLU A 52 5.815 10.228 9.925 1.00 0.00 C ATOM 808 CD GLU A 52 7.293 9.927 10.092 1.00 0.00 C ATOM 809 OE1 GLU A 52 7.623 8.845 10.626 1.00 0.00 O ATOM 810 OE2 GLU A 52 8.120 10.772 9.692 1.00 0.00 O ATOM 0 H GLU A 52 5.367 6.942 10.397 1.00 0.00 H new ATOM 0 HA GLU A 52 3.795 8.439 9.912 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.003 9.297 8.005 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.534 10.232 8.208 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.676 11.305 9.833 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.281 9.913 10.821 1.00 0.00 H new ATOM 817 N GLU A 53 3.180 6.571 7.846 1.00 0.00 N ATOM 818 CA GLU A 53 2.320 6.039 6.789 1.00 0.00 C ATOM 819 C GLU A 53 1.058 5.401 7.382 1.00 0.00 C ATOM 820 O GLU A 53 0.696 4.275 7.033 1.00 0.00 O ATOM 821 CB GLU A 53 3.095 5.014 5.949 1.00 0.00 C ATOM 822 CG GLU A 53 4.184 5.635 5.084 1.00 0.00 C ATOM 823 CD GLU A 53 5.353 4.699 4.834 1.00 0.00 C ATOM 824 OE1 GLU A 53 6.047 4.339 5.806 1.00 0.00 O ATOM 825 OE2 GLU A 53 5.582 4.333 3.663 1.00 0.00 O ATOM 0 H GLU A 53 3.468 5.880 8.538 1.00 0.00 H new ATOM 0 HA GLU A 53 2.011 6.863 6.146 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.546 4.278 6.614 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.395 4.478 5.308 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.754 5.933 4.128 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.549 6.542 5.566 1.00 0.00 H new ATOM 832 N GLU A 54 0.389 6.131 8.280 1.00 0.00 N ATOM 833 CA GLU A 54 -0.823 5.640 8.920 1.00 0.00 C ATOM 834 C GLU A 54 -2.029 6.517 8.550 1.00 0.00 C ATOM 835 O GLU A 54 -2.414 7.426 9.290 1.00 0.00 O ATOM 836 CB GLU A 54 -0.622 5.572 10.444 1.00 0.00 C ATOM 837 CG GLU A 54 -1.901 5.752 11.249 1.00 0.00 C ATOM 838 CD GLU A 54 -1.923 4.943 12.533 1.00 0.00 C ATOM 839 OE1 GLU A 54 -1.019 5.130 13.373 1.00 0.00 O ATOM 840 OE2 GLU A 54 -2.855 4.127 12.700 1.00 0.00 O ATOM 0 H GLU A 54 0.672 7.065 8.577 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.031 4.633 8.559 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.178 4.610 10.698 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.092 6.341 10.740 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.024 6.808 11.491 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.753 5.465 10.633 1.00 0.00 H new ATOM 847 N GLU A 55 -2.618 6.227 7.394 1.00 0.00 N ATOM 848 CA GLU A 55 -3.785 6.960 6.907 1.00 0.00 C ATOM 849 C GLU A 55 -4.748 5.997 6.199 1.00 0.00 C ATOM 850 O GLU A 55 -4.726 5.870 4.972 1.00 0.00 O ATOM 851 CB GLU A 55 -3.360 8.083 5.957 1.00 0.00 C ATOM 852 CG GLU A 55 -2.440 9.114 6.595 1.00 0.00 C ATOM 853 CD GLU A 55 -1.105 9.228 5.884 1.00 0.00 C ATOM 854 OE1 GLU A 55 -0.273 8.305 6.026 1.00 0.00 O ATOM 855 OE2 GLU A 55 -0.893 10.237 5.181 1.00 0.00 O ATOM 0 H GLU A 55 -2.304 5.483 6.771 1.00 0.00 H new ATOM 0 HA GLU A 55 -4.295 7.410 7.759 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.857 7.645 5.095 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.252 8.587 5.584 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.933 10.086 6.591 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.270 8.847 7.638 1.00 0.00 H new ATOM 862 N PRO A 56 -5.587 5.279 6.976 1.00 0.00 N ATOM 863 CA PRO A 56 -6.543 4.290 6.440 1.00 0.00 C ATOM 864 C PRO A 56 -7.521 4.845 5.401 1.00 0.00 C ATOM 865 O PRO A 56 -8.007 4.101 4.549 1.00 0.00 O ATOM 866 CB PRO A 56 -7.307 3.806 7.680 1.00 0.00 C ATOM 867 CG PRO A 56 -7.012 4.803 8.749 1.00 0.00 C ATOM 868 CD PRO A 56 -5.649 5.349 8.444 1.00 0.00 C ATOM 0 HA PRO A 56 -6.009 3.507 5.902 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -8.377 3.748 7.483 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.983 2.808 7.975 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -7.758 5.598 8.757 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -7.033 4.336 9.734 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -5.533 6.371 8.805 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.863 4.755 8.910 1.00 0.00 H new ATOM 876 N GLU A 57 -7.832 6.135 5.487 1.00 0.00 N ATOM 877 CA GLU A 57 -8.775 6.758 4.560 1.00 0.00 C ATOM 878 C GLU A 57 -8.113 7.810 3.657 1.00 0.00 C ATOM 879 O GLU A 57 -8.787 8.722 3.168 1.00 0.00 O ATOM 880 CB GLU A 57 -9.920 7.394 5.347 1.00 0.00 C ATOM 881 CG GLU A 57 -9.469 8.521 6.260 1.00 0.00 C ATOM 882 CD GLU A 57 -9.239 8.065 7.688 1.00 0.00 C ATOM 883 OE1 GLU A 57 -10.224 7.981 8.451 1.00 0.00 O ATOM 884 OE2 GLU A 57 -8.072 7.791 8.040 1.00 0.00 O ATOM 0 H GLU A 57 -7.447 6.769 6.187 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.155 5.973 3.907 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -10.663 7.778 4.648 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -10.411 6.626 5.945 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -8.548 8.953 5.869 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -10.220 9.311 6.252 1.00 0.00 H new ATOM 891 N ASP A 58 -6.800 7.699 3.440 1.00 0.00 N ATOM 892 CA ASP A 58 -6.090 8.667 2.606 1.00 0.00 C ATOM 893 C ASP A 58 -5.279 8.028 1.475 1.00 0.00 C ATOM 894 O ASP A 58 -4.547 8.730 0.778 1.00 0.00 O ATOM 895 CB ASP A 58 -5.150 9.492 3.479 1.00 0.00 C ATOM 896 CG ASP A 58 -5.128 10.958 3.094 1.00 0.00 C ATOM 897 OD1 ASP A 58 -6.216 11.539 2.889 1.00 0.00 O ATOM 898 OD2 ASP A 58 -4.021 11.526 2.992 1.00 0.00 O ATOM 0 H ASP A 58 -6.215 6.958 3.825 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.853 9.289 2.139 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.454 9.399 4.522 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.141 9.086 3.404 1.00 0.00 H new ATOM 903 N TYR A 59 -5.361 6.709 1.305 1.00 0.00 N ATOM 904 CA TYR A 59 -4.569 6.049 0.275 1.00 0.00 C ATOM 905 C TYR A 59 -5.392 5.354 -0.801 1.00 0.00 C ATOM 906 O TYR A 59 -6.598 5.147 -0.670 1.00 0.00 O ATOM 907 CB TYR A 59 -3.644 5.038 0.929 1.00 0.00 C ATOM 908 CG TYR A 59 -2.458 5.669 1.598 1.00 0.00 C ATOM 909 CD1 TYR A 59 -2.635 6.641 2.567 1.00 0.00 C ATOM 910 CD2 TYR A 59 -1.170 5.293 1.265 1.00 0.00 C ATOM 911 CE1 TYR A 59 -1.563 7.226 3.189 1.00 0.00 C ATOM 912 CE2 TYR A 59 -0.081 5.871 1.887 1.00 0.00 C ATOM 913 CZ TYR A 59 -0.282 6.840 2.850 1.00 0.00 C ATOM 914 OH TYR A 59 0.797 7.424 3.473 1.00 0.00 O ATOM 0 H TYR A 59 -5.955 6.089 1.856 1.00 0.00 H new ATOM 0 HA TYR A 59 -4.011 6.836 -0.232 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.206 4.464 1.666 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -3.295 4.333 0.175 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.636 6.944 2.838 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -1.014 4.538 0.509 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.720 7.985 3.941 1.00 0.00 H new ATOM 0 HE2 TYR A 59 0.921 5.567 1.622 1.00 0.00 H new ATOM 0 HH TYR A 59 0.528 7.747 4.358 1.00 0.00 H new ATOM 924 N GLU A 60 -4.683 4.968 -1.856 1.00 0.00 N ATOM 925 CA GLU A 60 -5.253 4.252 -2.984 1.00 0.00 C ATOM 926 C GLU A 60 -4.507 2.937 -3.156 1.00 0.00 C ATOM 927 O GLU A 60 -3.298 2.870 -2.910 1.00 0.00 O ATOM 928 CB GLU A 60 -5.153 5.082 -4.265 1.00 0.00 C ATOM 929 CG GLU A 60 -6.448 5.781 -4.631 1.00 0.00 C ATOM 930 CD GLU A 60 -6.525 6.135 -6.101 1.00 0.00 C ATOM 931 OE1 GLU A 60 -5.912 7.147 -6.503 1.00 0.00 O ATOM 932 OE2 GLU A 60 -7.197 5.401 -6.855 1.00 0.00 O ATOM 0 H GLU A 60 -3.683 5.147 -1.950 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.309 4.061 -2.790 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.367 5.828 -4.146 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.854 4.433 -5.088 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.289 5.138 -4.372 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.546 6.690 -4.037 1.00 0.00 H new ATOM 939 N LEU A 61 -5.216 1.892 -3.549 1.00 0.00 N ATOM 940 CA LEU A 61 -4.588 0.590 -3.711 1.00 0.00 C ATOM 941 C LEU A 61 -4.350 0.231 -5.176 1.00 0.00 C ATOM 942 O LEU A 61 -5.167 0.532 -6.047 1.00 0.00 O ATOM 943 CB LEU A 61 -5.430 -0.490 -3.030 1.00 0.00 C ATOM 944 CG LEU A 61 -4.821 -1.062 -1.752 1.00 0.00 C ATOM 945 CD1 LEU A 61 -5.513 -0.490 -0.524 1.00 0.00 C ATOM 946 CD2 LEU A 61 -4.898 -2.581 -1.759 1.00 0.00 C ATOM 0 H LEU A 61 -6.214 1.917 -3.760 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.609 0.645 -3.234 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.409 -0.073 -2.795 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.591 -1.305 -3.736 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.771 -0.774 -1.712 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.064 -0.911 0.376 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.399 0.594 -0.514 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.573 -0.743 -0.553 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.459 -2.972 -0.841 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.941 -2.892 -1.824 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.349 -2.969 -2.617 1.00 0.00 H new ATOM 958 N LEU A 62 -3.220 -0.434 -5.417 1.00 0.00 N ATOM 959 CA LEU A 62 -2.829 -0.884 -6.753 1.00 0.00 C ATOM 960 C LEU A 62 -2.141 -2.243 -6.644 1.00 0.00 C ATOM 961 O LEU A 62 -1.309 -2.430 -5.767 1.00 0.00 O ATOM 962 CB LEU A 62 -1.885 0.125 -7.415 1.00 0.00 C ATOM 963 CG LEU A 62 -2.320 1.591 -7.331 1.00 0.00 C ATOM 964 CD1 LEU A 62 -1.751 2.254 -6.086 1.00 0.00 C ATOM 965 CD2 LEU A 62 -1.880 2.344 -8.578 1.00 0.00 C ATOM 0 H LEU A 62 -2.548 -0.676 -4.689 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.723 -0.969 -7.371 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.901 0.030 -6.956 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.774 -0.143 -8.466 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.408 1.621 -7.267 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.074 3.294 -6.048 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.109 1.731 -5.199 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.662 2.213 -6.117 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.196 3.385 -8.505 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.794 2.299 -8.666 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.334 1.888 -9.458 1.00 0.00 H new ATOM 977 N GLN A 63 -2.482 -3.199 -7.511 1.00 0.00 N ATOM 978 CA GLN A 63 -1.858 -4.529 -7.432 1.00 0.00 C ATOM 979 C GLN A 63 -1.397 -5.057 -8.781 1.00 0.00 C ATOM 980 O GLN A 63 -2.017 -4.813 -9.814 1.00 0.00 O ATOM 981 CB GLN A 63 -2.799 -5.552 -6.781 1.00 0.00 C ATOM 982 CG GLN A 63 -2.104 -6.466 -5.782 1.00 0.00 C ATOM 983 CD GLN A 63 -1.954 -7.888 -6.280 1.00 0.00 C ATOM 984 OE1 GLN A 63 -1.050 -8.192 -7.049 1.00 0.00 O ATOM 985 NE2 GLN A 63 -2.835 -8.774 -5.837 1.00 0.00 N ATOM 0 H GLN A 63 -3.167 -3.087 -8.258 1.00 0.00 H new ATOM 0 HA GLN A 63 -0.973 -4.397 -6.809 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -3.606 -5.021 -6.276 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -3.257 -6.161 -7.561 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -1.118 -6.062 -5.554 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -2.669 -6.472 -4.850 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -3.574 -8.482 -5.197 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -2.774 -9.747 -6.136 1.00 0.00 H new ATOM 994 N ILE A 64 -0.302 -5.808 -8.732 1.00 0.00 N ATOM 995 CA ILE A 64 0.288 -6.428 -9.909 1.00 0.00 C ATOM 996 C ILE A 64 -0.029 -7.927 -9.912 1.00 0.00 C ATOM 997 O ILE A 64 0.457 -8.673 -9.053 1.00 0.00 O ATOM 998 CB ILE A 64 1.816 -6.234 -9.918 1.00 0.00 C ATOM 999 CG1 ILE A 64 2.170 -4.752 -10.070 1.00 0.00 C ATOM 1000 CG2 ILE A 64 2.453 -7.056 -11.033 1.00 0.00 C ATOM 1001 CD1 ILE A 64 2.973 -4.200 -8.912 1.00 0.00 C ATOM 0 H ILE A 64 0.203 -6.004 -7.868 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.133 -5.956 -10.797 1.00 0.00 H new ATOM 0 HB ILE A 64 2.212 -6.584 -8.965 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.735 -4.615 -10.992 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.250 -4.176 -10.171 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.533 -6.906 -11.024 1.00 0.00 H new ATOM 0 HG22 ILE A 64 2.232 -8.112 -10.878 1.00 0.00 H new ATOM 0 HG23 ILE A 64 2.051 -6.738 -11.995 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.187 -3.146 -9.088 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.401 -4.305 -7.990 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.909 -4.751 -8.823 1.00 0.00 H new ATOM 1013 N LEU A 65 -0.852 -8.359 -10.867 1.00 0.00 N ATOM 1014 CA LEU A 65 -1.250 -9.757 -10.972 1.00 0.00 C ATOM 1015 C LEU A 65 -0.886 -10.332 -12.347 1.00 0.00 C ATOM 1016 O LEU A 65 -0.026 -9.795 -13.047 1.00 0.00 O ATOM 1017 CB LEU A 65 -2.761 -9.872 -10.709 1.00 0.00 C ATOM 1018 CG LEU A 65 -3.206 -9.456 -9.301 1.00 0.00 C ATOM 1019 CD1 LEU A 65 -4.249 -8.350 -9.357 1.00 0.00 C ATOM 1020 CD2 LEU A 65 -3.752 -10.652 -8.543 1.00 0.00 C ATOM 0 H LEU A 65 -1.257 -7.754 -11.582 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.710 -10.340 -10.225 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.289 -9.257 -11.438 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.067 -10.904 -10.881 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.332 -9.072 -8.775 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.544 -8.077 -8.344 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.829 -7.479 -9.860 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -5.122 -8.701 -9.907 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -4.063 -10.340 -7.546 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.608 -11.062 -9.079 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.977 -11.414 -8.459 1.00 0.00 H new ATOM 1032 N SER A 66 -1.551 -11.421 -12.726 1.00 0.00 N ATOM 1033 CA SER A 66 -1.320 -12.072 -14.013 1.00 0.00 C ATOM 1034 C SER A 66 -2.506 -11.822 -14.932 1.00 0.00 C ATOM 1035 O SER A 66 -2.391 -11.102 -15.926 1.00 0.00 O ATOM 1036 CB SER A 66 -1.095 -13.577 -13.826 1.00 0.00 C ATOM 1037 OG SER A 66 -2.140 -14.158 -13.064 1.00 0.00 O ATOM 0 H SER A 66 -2.262 -11.875 -12.153 1.00 0.00 H new ATOM 0 HA SER A 66 -0.422 -11.650 -14.466 1.00 0.00 H new ATOM 0 HB2 SER A 66 -1.037 -14.063 -14.800 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.140 -13.746 -13.328 1.00 0.00 H new ATOM 0 HG SER A 66 -1.974 -15.118 -12.960 1.00 0.00 H new ATOM 1043 N ASP A 67 -3.656 -12.389 -14.567 1.00 0.00 N ATOM 1044 CA ASP A 67 -4.885 -12.193 -15.335 1.00 0.00 C ATOM 1045 C ASP A 67 -5.274 -10.712 -15.322 1.00 0.00 C ATOM 1046 O ASP A 67 -5.973 -10.233 -16.216 1.00 0.00 O ATOM 1047 CB ASP A 67 -6.021 -13.049 -14.767 1.00 0.00 C ATOM 1048 CG ASP A 67 -5.606 -14.488 -14.523 1.00 0.00 C ATOM 1049 OD1 ASP A 67 -5.514 -15.254 -15.505 1.00 0.00 O ATOM 1050 OD2 ASP A 67 -5.368 -14.846 -13.350 1.00 0.00 O ATOM 0 H ASP A 67 -3.762 -12.986 -13.747 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.708 -12.505 -16.364 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.367 -12.611 -13.830 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -6.864 -13.031 -15.458 1.00 0.00 H new ATOM 1055 N ASP A 68 -4.783 -9.990 -14.309 1.00 0.00 N ATOM 1056 CA ASP A 68 -5.027 -8.564 -14.166 1.00 0.00 C ATOM 1057 C ASP A 68 -3.699 -7.856 -13.899 1.00 0.00 C ATOM 1058 O ASP A 68 -3.546 -7.154 -12.899 1.00 0.00 O ATOM 1059 CB ASP A 68 -6.027 -8.298 -13.036 1.00 0.00 C ATOM 1060 CG ASP A 68 -6.866 -7.060 -13.286 1.00 0.00 C ATOM 1061 OD1 ASP A 68 -6.429 -5.958 -12.897 1.00 0.00 O ATOM 1062 OD2 ASP A 68 -7.960 -7.194 -13.874 1.00 0.00 O ATOM 0 H ASP A 68 -4.205 -10.386 -13.568 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.462 -8.175 -15.087 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.683 -9.161 -12.924 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.487 -8.184 -12.096 1.00 0.00 H new ATOM 1067 N ARG A 69 -2.739 -8.098 -14.808 1.00 0.00 N ATOM 1068 CA ARG A 69 -1.370 -7.547 -14.743 1.00 0.00 C ATOM 1069 C ARG A 69 -1.206 -6.444 -13.700 1.00 0.00 C ATOM 1070 O ARG A 69 -0.401 -6.579 -12.782 1.00 0.00 O ATOM 1071 CB ARG A 69 -0.915 -7.037 -16.121 1.00 0.00 C ATOM 1072 CG ARG A 69 -2.046 -6.656 -17.074 1.00 0.00 C ATOM 1073 CD ARG A 69 -2.246 -7.704 -18.161 1.00 0.00 C ATOM 1074 NE ARG A 69 -1.926 -7.182 -19.491 1.00 0.00 N ATOM 1075 CZ ARG A 69 -0.748 -7.335 -20.100 1.00 0.00 C ATOM 1076 NH1 ARG A 69 0.243 -7.992 -19.508 1.00 0.00 N ATOM 1077 NH2 ARG A 69 -0.562 -6.825 -21.308 1.00 0.00 N ATOM 0 H ARG A 69 -2.893 -8.692 -15.623 1.00 0.00 H new ATOM 0 HA ARG A 69 -0.733 -8.375 -14.431 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.274 -6.168 -15.976 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -0.306 -7.807 -16.594 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -2.971 -6.535 -16.510 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -1.825 -5.693 -17.534 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -1.618 -8.569 -17.950 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -3.280 -8.049 -18.146 1.00 0.00 H new ATOM 0 HE ARG A 69 -2.653 -6.666 -19.986 1.00 0.00 H new ATOM 0 HH11 ARG A 69 0.109 -8.387 -18.577 1.00 0.00 H new ATOM 0 HH12 ARG A 69 1.138 -8.102 -19.984 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -1.317 -6.318 -21.769 1.00 0.00 H new ATOM 0 HH22 ARG A 69 0.336 -6.939 -21.777 1.00 0.00 H new ATOM 1091 N LYS A 70 -1.970 -5.369 -13.834 1.00 0.00 N ATOM 1092 CA LYS A 70 -1.909 -4.263 -12.885 1.00 0.00 C ATOM 1093 C LYS A 70 -3.296 -3.655 -12.678 1.00 0.00 C ATOM 1094 O LYS A 70 -4.003 -3.357 -13.643 1.00 0.00 O ATOM 1095 CB LYS A 70 -0.925 -3.195 -13.359 1.00 0.00 C ATOM 1096 CG LYS A 70 0.431 -3.262 -12.673 1.00 0.00 C ATOM 1097 CD LYS A 70 1.352 -4.259 -13.359 1.00 0.00 C ATOM 1098 CE LYS A 70 2.412 -3.558 -14.192 1.00 0.00 C ATOM 1099 NZ LYS A 70 3.590 -3.155 -13.373 1.00 0.00 N ATOM 0 H LYS A 70 -2.641 -5.238 -14.591 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.556 -4.654 -11.931 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -0.783 -3.297 -14.435 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.361 -2.211 -13.187 1.00 0.00 H new ATOM 0 HG2 LYS A 70 0.892 -2.275 -12.679 1.00 0.00 H new ATOM 0 HG3 LYS A 70 0.299 -3.546 -11.629 1.00 0.00 H new ATOM 0 HD2 LYS A 70 1.834 -4.886 -12.609 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.764 -4.919 -13.997 1.00 0.00 H new ATOM 0 HE2 LYS A 70 2.738 -4.219 -14.995 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.978 -2.675 -14.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.289 -2.680 -13.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.284 -2.504 -12.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.020 -3.999 -12.945 1.00 0.00 H new ATOM 1113 N LEU A 71 -3.675 -3.483 -11.416 1.00 0.00 N ATOM 1114 CA LEU A 71 -4.979 -2.922 -11.067 1.00 0.00 C ATOM 1115 C LEU A 71 -4.832 -1.781 -10.059 1.00 0.00 C ATOM 1116 O LEU A 71 -3.815 -1.679 -9.373 1.00 0.00 O ATOM 1117 CB LEU A 71 -5.885 -4.029 -10.498 1.00 0.00 C ATOM 1118 CG LEU A 71 -5.995 -4.084 -8.969 1.00 0.00 C ATOM 1119 CD1 LEU A 71 -7.441 -3.918 -8.529 1.00 0.00 C ATOM 1120 CD2 LEU A 71 -5.426 -5.387 -8.437 1.00 0.00 C ATOM 0 H LEU A 71 -3.095 -3.725 -10.612 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.435 -2.514 -11.969 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.886 -3.901 -10.911 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.515 -4.992 -10.851 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.412 -3.260 -8.557 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.497 -3.960 -7.441 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.818 -2.956 -8.875 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.045 -4.719 -8.955 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.514 -5.406 -7.351 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.979 -6.225 -8.860 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.376 -5.467 -8.718 1.00 0.00 H new ATOM 1132 N LYS A 72 -5.853 -0.928 -9.970 1.00 0.00 N ATOM 1133 CA LYS A 72 -5.837 0.195 -9.043 1.00 0.00 C ATOM 1134 C LYS A 72 -7.263 0.630 -8.693 1.00 0.00 C ATOM 1135 O LYS A 72 -8.102 0.803 -9.579 1.00 0.00 O ATOM 1136 CB LYS A 72 -5.050 1.360 -9.643 1.00 0.00 C ATOM 1137 CG LYS A 72 -5.355 2.702 -9.002 1.00 0.00 C ATOM 1138 CD LYS A 72 -4.700 3.846 -9.763 1.00 0.00 C ATOM 1139 CE LYS A 72 -4.553 5.086 -8.895 1.00 0.00 C ATOM 1140 NZ LYS A 72 -5.692 6.030 -9.073 1.00 0.00 N ATOM 0 H LYS A 72 -6.702 -0.997 -10.532 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.346 -0.121 -8.123 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -3.984 1.155 -9.544 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.266 1.420 -10.710 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.434 2.855 -8.971 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -5.004 2.702 -7.970 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.719 3.532 -10.119 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.296 4.086 -10.643 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.488 4.790 -7.848 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.620 5.593 -9.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -5.416 6.974 -8.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.945 6.083 -10.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -6.511 5.693 -8.528 1.00 0.00 H new ATOM 1154 N ILE A 73 -7.525 0.806 -7.399 1.00 0.00 N ATOM 1155 CA ILE A 73 -8.848 1.221 -6.928 1.00 0.00 C ATOM 1156 C ILE A 73 -8.745 2.385 -5.939 1.00 0.00 C ATOM 1157 O ILE A 73 -7.852 2.407 -5.088 1.00 0.00 O ATOM 1158 CB ILE A 73 -9.598 0.048 -6.247 1.00 0.00 C ATOM 1159 CG1 ILE A 73 -9.727 -1.143 -7.207 1.00 0.00 C ATOM 1160 CG2 ILE A 73 -10.971 0.484 -5.742 1.00 0.00 C ATOM 1161 CD1 ILE A 73 -10.678 -0.907 -8.362 1.00 0.00 C ATOM 0 H ILE A 73 -6.839 0.668 -6.657 1.00 0.00 H new ATOM 0 HA ILE A 73 -9.408 1.543 -7.806 1.00 0.00 H new ATOM 0 HB ILE A 73 -9.011 -0.266 -5.384 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -8.741 -1.383 -7.605 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -10.064 -2.014 -6.645 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -11.471 -0.362 -5.270 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -10.853 1.288 -5.015 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -11.571 0.838 -6.580 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -10.712 -1.795 -8.993 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -11.675 -0.698 -7.975 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -10.332 -0.057 -8.951 1.00 0.00 H new ATOM 1173 N PRO A 74 -9.666 3.369 -6.046 1.00 0.00 N ATOM 1174 CA PRO A 74 -9.690 4.545 -5.160 1.00 0.00 C ATOM 1175 C PRO A 74 -9.727 4.172 -3.674 1.00 0.00 C ATOM 1176 O PRO A 74 -9.731 2.991 -3.317 1.00 0.00 O ATOM 1177 CB PRO A 74 -10.975 5.292 -5.562 1.00 0.00 C ATOM 1178 CG PRO A 74 -11.743 4.357 -6.437 1.00 0.00 C ATOM 1179 CD PRO A 74 -10.747 3.413 -7.043 1.00 0.00 C ATOM 0 HA PRO A 74 -8.786 5.143 -5.275 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -11.556 5.568 -4.682 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -10.739 6.215 -6.091 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -12.490 3.812 -5.859 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -12.278 4.905 -7.213 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -11.179 2.426 -7.210 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -10.389 3.772 -8.008 1.00 0.00 H new ATOM 1187 N GLU A 75 -9.744 5.199 -2.817 1.00 0.00 N ATOM 1188 CA GLU A 75 -9.771 5.025 -1.357 1.00 0.00 C ATOM 1189 C GLU A 75 -10.647 3.850 -0.910 1.00 0.00 C ATOM 1190 O GLU A 75 -10.336 3.192 0.083 1.00 0.00 O ATOM 1191 CB GLU A 75 -10.252 6.314 -0.681 1.00 0.00 C ATOM 1192 CG GLU A 75 -9.375 6.755 0.481 1.00 0.00 C ATOM 1193 CD GLU A 75 -9.213 5.678 1.537 1.00 0.00 C ATOM 1194 OE1 GLU A 75 -10.236 5.258 2.120 1.00 0.00 O ATOM 1195 OE2 GLU A 75 -8.064 5.255 1.782 1.00 0.00 O ATOM 0 H GLU A 75 -9.739 6.175 -3.114 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.750 4.798 -1.051 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -10.287 7.112 -1.422 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -11.271 6.168 -0.322 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.393 7.037 0.102 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.807 7.645 0.939 1.00 0.00 H new ATOM 1202 N ASN A 76 -11.729 3.578 -1.641 1.00 0.00 N ATOM 1203 CA ASN A 76 -12.625 2.470 -1.300 1.00 0.00 C ATOM 1204 C ASN A 76 -12.002 1.115 -1.678 1.00 0.00 C ATOM 1205 O ASN A 76 -12.609 0.311 -2.392 1.00 0.00 O ATOM 1206 CB ASN A 76 -13.991 2.641 -1.986 1.00 0.00 C ATOM 1207 CG ASN A 76 -13.889 2.801 -3.498 1.00 0.00 C ATOM 1208 OD1 ASN A 76 -12.807 2.693 -4.073 1.00 0.00 O ATOM 1209 ND2 ASN A 76 -15.016 3.059 -4.154 1.00 0.00 N ATOM 0 H ASN A 76 -12.006 4.106 -2.469 1.00 0.00 H new ATOM 0 HA ASN A 76 -12.775 2.486 -0.220 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -14.614 1.776 -1.760 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -14.493 3.513 -1.568 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -15.001 3.174 -5.167 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -15.895 3.142 -3.644 1.00 0.00 H new ATOM 1216 N ALA A 77 -10.786 0.867 -1.178 1.00 0.00 N ATOM 1217 CA ALA A 77 -10.071 -0.382 -1.446 1.00 0.00 C ATOM 1218 C ALA A 77 -10.809 -1.610 -0.902 1.00 0.00 C ATOM 1219 O ALA A 77 -10.427 -2.744 -1.195 1.00 0.00 O ATOM 1220 CB ALA A 77 -8.659 -0.315 -0.881 1.00 0.00 C ATOM 0 H ALA A 77 -10.276 1.520 -0.583 1.00 0.00 H new ATOM 0 HA ALA A 77 -10.020 -0.496 -2.529 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -8.140 -1.251 -1.088 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.120 0.510 -1.346 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -8.705 -0.156 0.196 1.00 0.00 H new ATOM 1226 N ASN A 78 -11.874 -1.381 -0.129 1.00 0.00 N ATOM 1227 CA ASN A 78 -12.681 -2.467 0.429 1.00 0.00 C ATOM 1228 C ASN A 78 -13.014 -3.499 -0.654 1.00 0.00 C ATOM 1229 O ASN A 78 -12.991 -4.706 -0.405 1.00 0.00 O ATOM 1230 CB ASN A 78 -13.965 -1.879 1.043 1.00 0.00 C ATOM 1231 CG ASN A 78 -15.236 -2.603 0.623 1.00 0.00 C ATOM 1232 OD1 ASN A 78 -15.440 -3.771 0.951 1.00 0.00 O ATOM 1233 ND2 ASN A 78 -16.101 -1.909 -0.108 1.00 0.00 N ATOM 0 H ASN A 78 -12.198 -0.448 0.125 1.00 0.00 H new ATOM 0 HA ASN A 78 -12.115 -2.977 1.209 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -13.883 -1.909 2.130 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -14.045 -0.830 0.758 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -16.971 -2.343 -0.418 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -15.896 -0.942 -0.360 1.00 0.00 H new ATOM 1240 N VAL A 79 -13.315 -3.003 -1.854 1.00 0.00 N ATOM 1241 CA VAL A 79 -13.650 -3.859 -2.994 1.00 0.00 C ATOM 1242 C VAL A 79 -12.392 -4.323 -3.738 1.00 0.00 C ATOM 1243 O VAL A 79 -12.366 -5.415 -4.304 1.00 0.00 O ATOM 1244 CB VAL A 79 -14.584 -3.132 -3.986 1.00 0.00 C ATOM 1245 CG1 VAL A 79 -15.309 -4.131 -4.876 1.00 0.00 C ATOM 1246 CG2 VAL A 79 -15.580 -2.251 -3.240 1.00 0.00 C ATOM 0 H VAL A 79 -13.334 -2.005 -2.063 1.00 0.00 H new ATOM 0 HA VAL A 79 -14.165 -4.731 -2.590 1.00 0.00 H new ATOM 0 HB VAL A 79 -13.973 -2.492 -4.623 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -15.961 -3.597 -5.567 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -14.580 -4.711 -5.441 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -15.906 -4.802 -4.259 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -16.229 -1.748 -3.957 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -16.184 -2.868 -2.575 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -15.040 -1.507 -2.654 1.00 0.00 H new ATOM 1256 N PHE A 80 -11.354 -3.479 -3.728 1.00 0.00 N ATOM 1257 CA PHE A 80 -10.083 -3.778 -4.392 1.00 0.00 C ATOM 1258 C PHE A 80 -9.570 -5.182 -4.047 1.00 0.00 C ATOM 1259 O PHE A 80 -9.081 -5.898 -4.923 1.00 0.00 O ATOM 1260 CB PHE A 80 -9.042 -2.722 -3.994 1.00 0.00 C ATOM 1261 CG PHE A 80 -7.670 -2.955 -4.561 1.00 0.00 C ATOM 1262 CD1 PHE A 80 -6.917 -4.050 -4.172 1.00 0.00 C ATOM 1263 CD2 PHE A 80 -7.131 -2.070 -5.474 1.00 0.00 C ATOM 1264 CE1 PHE A 80 -5.656 -4.254 -4.684 1.00 0.00 C ATOM 1265 CE2 PHE A 80 -5.870 -2.268 -5.987 1.00 0.00 C ATOM 1266 CZ PHE A 80 -5.131 -3.360 -5.593 1.00 0.00 C ATOM 0 H PHE A 80 -11.372 -2.573 -3.261 1.00 0.00 H new ATOM 0 HA PHE A 80 -10.249 -3.751 -5.469 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -9.394 -1.743 -4.319 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -8.972 -2.691 -2.907 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -7.324 -4.752 -3.459 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -7.706 -1.212 -5.789 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -5.079 -5.113 -4.374 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -5.460 -1.567 -6.699 1.00 0.00 H new ATOM 0 HZ PHE A 80 -4.141 -3.517 -5.995 1.00 0.00 H new ATOM 1276 N TYR A 81 -9.670 -5.563 -2.771 1.00 0.00 N ATOM 1277 CA TYR A 81 -9.198 -6.872 -2.320 1.00 0.00 C ATOM 1278 C TYR A 81 -9.909 -8.021 -3.039 1.00 0.00 C ATOM 1279 O TYR A 81 -9.301 -9.058 -3.313 1.00 0.00 O ATOM 1280 CB TYR A 81 -9.358 -7.002 -0.806 1.00 0.00 C ATOM 1281 CG TYR A 81 -8.135 -6.547 -0.046 1.00 0.00 C ATOM 1282 CD1 TYR A 81 -7.577 -5.297 -0.279 1.00 0.00 C ATOM 1283 CD2 TYR A 81 -7.534 -7.366 0.896 1.00 0.00 C ATOM 1284 CE1 TYR A 81 -6.455 -4.880 0.405 1.00 0.00 C ATOM 1285 CE2 TYR A 81 -6.410 -6.953 1.586 1.00 0.00 C ATOM 1286 CZ TYR A 81 -5.875 -5.711 1.337 1.00 0.00 C ATOM 1287 OH TYR A 81 -4.758 -5.297 2.026 1.00 0.00 O ATOM 0 H TYR A 81 -10.073 -4.984 -2.034 1.00 0.00 H new ATOM 0 HA TYR A 81 -8.140 -6.942 -2.572 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -10.219 -6.415 -0.485 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -9.570 -8.042 -0.556 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -8.029 -4.641 -1.008 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -7.950 -8.343 1.094 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -6.033 -3.905 0.210 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -5.954 -7.603 2.318 1.00 0.00 H new ATOM 0 HH TYR A 81 -4.616 -5.881 2.800 1.00 0.00 H new ATOM 1297 N ALA A 82 -11.186 -7.829 -3.358 1.00 0.00 N ATOM 1298 CA ALA A 82 -11.961 -8.849 -4.060 1.00 0.00 C ATOM 1299 C ALA A 82 -11.570 -8.930 -5.543 1.00 0.00 C ATOM 1300 O ALA A 82 -11.903 -9.903 -6.222 1.00 0.00 O ATOM 1301 CB ALA A 82 -13.451 -8.568 -3.918 1.00 0.00 C ATOM 0 H ALA A 82 -11.706 -6.978 -3.142 1.00 0.00 H new ATOM 0 HA ALA A 82 -11.736 -9.814 -3.605 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -14.018 -9.335 -4.446 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -13.724 -8.576 -2.863 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -13.679 -7.591 -4.344 1.00 0.00 H new ATOM 1307 N MET A 83 -10.868 -7.906 -6.041 1.00 0.00 N ATOM 1308 CA MET A 83 -10.445 -7.866 -7.441 1.00 0.00 C ATOM 1309 C MET A 83 -8.995 -8.326 -7.617 1.00 0.00 C ATOM 1310 O MET A 83 -8.674 -9.013 -8.587 1.00 0.00 O ATOM 1311 CB MET A 83 -10.612 -6.451 -8.007 1.00 0.00 C ATOM 1312 CG MET A 83 -12.039 -5.924 -7.936 1.00 0.00 C ATOM 1313 SD MET A 83 -13.230 -7.024 -8.725 1.00 0.00 S ATOM 1314 CE MET A 83 -12.762 -6.855 -10.446 1.00 0.00 C ATOM 0 H MET A 83 -10.582 -7.095 -5.493 1.00 0.00 H new ATOM 0 HA MET A 83 -11.083 -8.558 -7.991 1.00 0.00 H new ATOM 0 HB2 MET A 83 -9.957 -5.772 -7.462 1.00 0.00 H new ATOM 0 HB3 MET A 83 -10.284 -6.445 -9.046 1.00 0.00 H new ATOM 0 HG2 MET A 83 -12.318 -5.783 -6.892 1.00 0.00 H new ATOM 0 HG3 MET A 83 -12.084 -4.945 -8.413 1.00 0.00 H new ATOM 0 HE1 MET A 83 -13.513 -7.332 -11.076 1.00 0.00 H new ATOM 0 HE2 MET A 83 -12.692 -5.798 -10.702 1.00 0.00 H new ATOM 0 HE3 MET A 83 -11.796 -7.332 -10.609 1.00 0.00 H new ATOM 1324 N ASN A 84 -8.120 -7.932 -6.689 1.00 0.00 N ATOM 1325 CA ASN A 84 -6.699 -8.295 -6.765 1.00 0.00 C ATOM 1326 C ASN A 84 -6.405 -9.695 -6.191 1.00 0.00 C ATOM 1327 O ASN A 84 -5.331 -9.930 -5.631 1.00 0.00 O ATOM 1328 CB ASN A 84 -5.855 -7.224 -6.047 1.00 0.00 C ATOM 1329 CG ASN A 84 -5.655 -7.489 -4.560 1.00 0.00 C ATOM 1330 OD1 ASN A 84 -4.570 -7.267 -4.027 1.00 0.00 O ATOM 1331 ND2 ASN A 84 -6.689 -7.965 -3.879 1.00 0.00 N ATOM 0 H ASN A 84 -8.367 -7.364 -5.879 1.00 0.00 H new ATOM 0 HA ASN A 84 -6.427 -8.335 -7.820 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -4.879 -7.161 -6.529 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -6.335 -6.253 -6.172 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -6.597 -8.158 -2.882 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -7.576 -8.138 -4.353 1.00 0.00 H new ATOM 1338 N SER A 85 -7.344 -10.630 -6.340 1.00 0.00 N ATOM 1339 CA SER A 85 -7.148 -11.990 -5.831 1.00 0.00 C ATOM 1340 C SER A 85 -7.299 -13.041 -6.941 1.00 0.00 C ATOM 1341 O SER A 85 -7.993 -14.044 -6.763 1.00 0.00 O ATOM 1342 CB SER A 85 -8.132 -12.275 -4.688 1.00 0.00 C ATOM 1343 OG SER A 85 -7.929 -11.379 -3.605 1.00 0.00 O ATOM 0 H SER A 85 -8.239 -10.475 -6.804 1.00 0.00 H new ATOM 0 HA SER A 85 -6.129 -12.058 -5.451 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.155 -12.184 -5.053 1.00 0.00 H new ATOM 0 HB3 SER A 85 -8.007 -13.302 -4.343 1.00 0.00 H new ATOM 0 HG SER A 85 -8.571 -10.641 -3.666 1.00 0.00 H new ATOM 1349 N THR A 86 -6.640 -12.812 -8.084 1.00 0.00 N ATOM 1350 CA THR A 86 -6.709 -13.751 -9.207 1.00 0.00 C ATOM 1351 C THR A 86 -5.502 -14.696 -9.229 1.00 0.00 C ATOM 1352 O THR A 86 -5.638 -15.870 -9.574 1.00 0.00 O ATOM 1353 CB THR A 86 -6.837 -12.997 -10.544 1.00 0.00 C ATOM 1354 OG1 THR A 86 -7.436 -13.823 -11.528 1.00 0.00 O ATOM 1355 CG2 THR A 86 -5.521 -12.493 -11.111 1.00 0.00 C ATOM 0 H THR A 86 -6.058 -11.992 -8.253 1.00 0.00 H new ATOM 0 HA THR A 86 -7.601 -14.361 -9.069 1.00 0.00 H new ATOM 0 HB THR A 86 -7.454 -12.130 -10.310 1.00 0.00 H new ATOM 0 HG1 THR A 86 -6.745 -14.162 -12.135 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.705 -11.975 -12.052 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.059 -11.805 -10.402 1.00 0.00 H new ATOM 0 HG23 THR A 86 -4.853 -13.337 -11.286 1.00 0.00 H new ATOM 1363 N ALA A 87 -4.324 -14.185 -8.856 1.00 0.00 N ATOM 1364 CA ALA A 87 -3.108 -14.998 -8.835 1.00 0.00 C ATOM 1365 C ALA A 87 -2.051 -14.414 -7.894 1.00 0.00 C ATOM 1366 O ALA A 87 -1.934 -14.835 -6.742 1.00 0.00 O ATOM 1367 CB ALA A 87 -2.555 -15.154 -10.247 1.00 0.00 C ATOM 0 H ALA A 87 -4.189 -13.216 -8.566 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.370 -15.984 -8.450 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.650 -15.761 -10.218 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.299 -15.641 -10.877 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.320 -14.171 -10.656 1.00 0.00 H new ATOM 1373 N ASN A 88 -1.283 -13.445 -8.396 1.00 0.00 N ATOM 1374 CA ASN A 88 -0.229 -12.798 -7.611 1.00 0.00 C ATOM 1375 C ASN A 88 -0.824 -11.892 -6.530 1.00 0.00 C ATOM 1376 O ASN A 88 -2.017 -11.588 -6.552 1.00 0.00 O ATOM 1377 CB ASN A 88 0.693 -11.986 -8.531 1.00 0.00 C ATOM 1378 CG ASN A 88 2.025 -11.653 -7.880 1.00 0.00 C ATOM 1379 OD1 ASN A 88 2.325 -10.490 -7.620 1.00 0.00 O ATOM 1380 ND2 ASN A 88 2.833 -12.673 -7.607 1.00 0.00 N ATOM 0 H ASN A 88 -1.372 -13.089 -9.348 1.00 0.00 H new ATOM 0 HA ASN A 88 0.353 -13.577 -7.119 1.00 0.00 H new ATOM 0 HB2 ASN A 88 0.872 -12.548 -9.448 1.00 0.00 H new ATOM 0 HB3 ASN A 88 0.192 -11.061 -8.817 1.00 0.00 H new ATOM 0 HD21 ASN A 88 3.737 -12.504 -7.167 1.00 0.00 H new ATOM 0 HD22 ASN A 88 2.549 -13.625 -7.838 1.00 0.00 H new ATOM 1387 N TYR A 89 0.012 -11.459 -5.585 1.00 0.00 N ATOM 1388 CA TYR A 89 -0.452 -10.587 -4.511 1.00 0.00 C ATOM 1389 C TYR A 89 0.580 -9.504 -4.179 1.00 0.00 C ATOM 1390 O TYR A 89 0.919 -9.286 -3.014 1.00 0.00 O ATOM 1391 CB TYR A 89 -0.810 -11.410 -3.266 1.00 0.00 C ATOM 1392 CG TYR A 89 -2.257 -11.258 -2.849 1.00 0.00 C ATOM 1393 CD1 TYR A 89 -2.842 -10.002 -2.752 1.00 0.00 C ATOM 1394 CD2 TYR A 89 -3.038 -12.368 -2.554 1.00 0.00 C ATOM 1395 CE1 TYR A 89 -4.161 -9.857 -2.370 1.00 0.00 C ATOM 1396 CE2 TYR A 89 -4.359 -12.230 -2.172 1.00 0.00 C ATOM 1397 CZ TYR A 89 -4.915 -10.972 -2.081 1.00 0.00 C ATOM 1398 OH TYR A 89 -6.229 -10.828 -1.698 1.00 0.00 O ATOM 0 H TYR A 89 1.003 -11.696 -5.543 1.00 0.00 H new ATOM 0 HA TYR A 89 -1.352 -10.080 -4.858 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -0.603 -12.462 -3.462 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -0.166 -11.107 -2.440 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -2.255 -9.124 -2.979 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -2.606 -13.355 -2.624 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -4.599 -8.873 -2.298 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -4.953 -13.103 -1.946 1.00 0.00 H new ATOM 0 HH TYR A 89 -6.808 -11.307 -2.327 1.00 0.00 H new ATOM 1408 N ASP A 90 1.056 -8.813 -5.218 1.00 0.00 N ATOM 1409 CA ASP A 90 2.028 -7.734 -5.048 1.00 0.00 C ATOM 1410 C ASP A 90 1.372 -6.402 -5.360 1.00 0.00 C ATOM 1411 O ASP A 90 1.147 -6.064 -6.522 1.00 0.00 O ATOM 1412 CB ASP A 90 3.242 -7.971 -5.949 1.00 0.00 C ATOM 1413 CG ASP A 90 4.486 -7.256 -5.463 1.00 0.00 C ATOM 1414 OD1 ASP A 90 4.848 -7.431 -4.282 1.00 0.00 O ATOM 1415 OD2 ASP A 90 5.101 -6.527 -6.269 1.00 0.00 O ATOM 0 H ASP A 90 0.783 -8.983 -6.186 1.00 0.00 H new ATOM 0 HA ASP A 90 2.373 -7.717 -4.014 1.00 0.00 H new ATOM 0 HB2 ASP A 90 3.443 -9.041 -6.005 1.00 0.00 H new ATOM 0 HB3 ASP A 90 3.009 -7.637 -6.960 1.00 0.00 H new ATOM 1420 N PHE A 91 1.021 -5.670 -4.309 1.00 0.00 N ATOM 1421 CA PHE A 91 0.337 -4.402 -4.474 1.00 0.00 C ATOM 1422 C PHE A 91 1.120 -3.203 -3.957 1.00 0.00 C ATOM 1423 O PHE A 91 1.951 -3.305 -3.054 1.00 0.00 O ATOM 1424 CB PHE A 91 -1.045 -4.501 -3.826 1.00 0.00 C ATOM 1425 CG PHE A 91 -1.176 -3.876 -2.481 1.00 0.00 C ATOM 1426 CD1 PHE A 91 -1.565 -2.557 -2.341 1.00 0.00 C ATOM 1427 CD2 PHE A 91 -0.940 -4.631 -1.358 1.00 0.00 C ATOM 1428 CE1 PHE A 91 -1.710 -2.000 -1.088 1.00 0.00 C ATOM 1429 CE2 PHE A 91 -1.089 -4.089 -0.105 1.00 0.00 C ATOM 1430 CZ PHE A 91 -1.475 -2.769 0.035 1.00 0.00 C ATOM 0 H PHE A 91 1.199 -5.935 -3.340 1.00 0.00 H new ATOM 0 HA PHE A 91 0.236 -4.217 -5.543 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -1.772 -4.038 -4.493 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -1.312 -5.554 -3.744 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -1.757 -1.958 -3.219 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -0.634 -5.662 -1.462 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -2.006 -0.967 -0.985 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -0.905 -4.694 0.771 1.00 0.00 H new ATOM 0 HZ PHE A 91 -1.592 -2.340 1.019 1.00 0.00 H new ATOM 1440 N VAL A 92 0.813 -2.062 -4.560 1.00 0.00 N ATOM 1441 CA VAL A 92 1.431 -0.794 -4.216 1.00 0.00 C ATOM 1442 C VAL A 92 0.425 0.112 -3.514 1.00 0.00 C ATOM 1443 O VAL A 92 -0.658 0.384 -4.039 1.00 0.00 O ATOM 1444 CB VAL A 92 1.980 -0.075 -5.467 1.00 0.00 C ATOM 1445 CG1 VAL A 92 2.602 1.264 -5.095 1.00 0.00 C ATOM 1446 CG2 VAL A 92 2.991 -0.953 -6.191 1.00 0.00 C ATOM 0 H VAL A 92 0.122 -1.993 -5.307 1.00 0.00 H new ATOM 0 HA VAL A 92 2.264 -1.007 -3.546 1.00 0.00 H new ATOM 0 HB VAL A 92 1.145 0.115 -6.141 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.981 1.751 -5.993 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.848 1.899 -4.629 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.422 1.102 -4.396 1.00 0.00 H new ATOM 0 HG21 VAL A 92 3.366 -0.428 -7.070 1.00 0.00 H new ATOM 0 HG22 VAL A 92 3.821 -1.179 -5.522 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.511 -1.881 -6.501 1.00 0.00 H new ATOM 1456 N LEU A 93 0.794 0.576 -2.329 1.00 0.00 N ATOM 1457 CA LEU A 93 -0.056 1.456 -1.542 1.00 0.00 C ATOM 1458 C LEU A 93 0.338 2.912 -1.794 1.00 0.00 C ATOM 1459 O LEU A 93 1.302 3.417 -1.217 1.00 0.00 O ATOM 1460 CB LEU A 93 0.057 1.094 -0.054 1.00 0.00 C ATOM 1461 CG LEU A 93 -0.443 2.154 0.921 1.00 0.00 C ATOM 1462 CD1 LEU A 93 -1.962 2.127 1.009 1.00 0.00 C ATOM 1463 CD2 LEU A 93 0.174 1.949 2.296 1.00 0.00 C ATOM 0 H LEU A 93 1.687 0.354 -1.888 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.096 1.329 -1.841 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.500 0.173 0.121 1.00 0.00 H new ATOM 0 HB3 LEU A 93 1.102 0.882 0.172 1.00 0.00 H new ATOM 0 HG LEU A 93 -0.138 3.132 0.549 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -2.299 2.891 1.710 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.387 2.324 0.025 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -2.289 1.147 1.356 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.195 2.715 2.978 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.100 0.964 2.674 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.259 2.021 2.222 1.00 0.00 H new ATOM 1475 N LYS A 94 -0.405 3.572 -2.681 1.00 0.00 N ATOM 1476 CA LYS A 94 -0.131 4.963 -3.035 1.00 0.00 C ATOM 1477 C LYS A 94 -1.175 5.901 -2.437 1.00 0.00 C ATOM 1478 O LYS A 94 -2.367 5.761 -2.703 1.00 0.00 O ATOM 1479 CB LYS A 94 -0.097 5.122 -4.559 1.00 0.00 C ATOM 1480 CG LYS A 94 1.183 4.605 -5.198 1.00 0.00 C ATOM 1481 CD LYS A 94 1.102 4.637 -6.717 1.00 0.00 C ATOM 1482 CE LYS A 94 1.691 5.921 -7.285 1.00 0.00 C ATOM 1483 NZ LYS A 94 3.177 5.853 -7.396 1.00 0.00 N ATOM 0 H LYS A 94 -1.203 3.164 -3.168 1.00 0.00 H new ATOM 0 HA LYS A 94 0.842 5.230 -2.623 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -0.947 4.593 -4.990 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.217 6.176 -4.809 1.00 0.00 H new ATOM 0 HG2 LYS A 94 2.027 5.210 -4.865 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.371 3.584 -4.864 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.634 3.779 -7.128 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.061 4.545 -7.028 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.262 6.112 -8.269 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.413 6.760 -6.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 3.470 6.177 -8.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 3.607 6.463 -6.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 3.491 4.872 -7.253 1.00 0.00 H new ATOM 1497 N LYS A 95 -0.720 6.859 -1.631 1.00 0.00 N ATOM 1498 CA LYS A 95 -1.616 7.820 -0.997 1.00 0.00 C ATOM 1499 C LYS A 95 -2.303 8.701 -2.040 1.00 0.00 C ATOM 1500 O LYS A 95 -1.660 9.222 -2.953 1.00 0.00 O ATOM 1501 CB LYS A 95 -0.843 8.678 0.009 1.00 0.00 C ATOM 1502 CG LYS A 95 -1.630 9.861 0.554 1.00 0.00 C ATOM 1503 CD LYS A 95 -1.124 10.306 1.920 1.00 0.00 C ATOM 1504 CE LYS A 95 0.384 10.509 1.934 1.00 0.00 C ATOM 1505 NZ LYS A 95 0.991 10.082 3.225 1.00 0.00 N ATOM 0 H LYS A 95 0.266 6.989 -1.402 1.00 0.00 H new ATOM 0 HA LYS A 95 -2.390 7.267 -0.465 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -0.531 8.049 0.842 1.00 0.00 H new ATOM 0 HB3 LYS A 95 0.064 9.048 -0.468 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -1.563 10.694 -0.146 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -2.684 9.592 0.628 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -1.617 11.236 2.203 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -1.396 9.560 2.667 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.834 9.944 1.117 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.610 11.560 1.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 1.828 10.666 3.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 0.297 10.198 3.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 1.273 9.083 3.162 1.00 0.00 H new ATOM 1519 N ARG A 96 -3.617 8.856 -1.893 1.00 0.00 N ATOM 1520 CA ARG A 96 -4.412 9.665 -2.808 1.00 0.00 C ATOM 1521 C ARG A 96 -4.232 11.154 -2.509 1.00 0.00 C ATOM 1522 O ARG A 96 -4.783 11.673 -1.535 1.00 0.00 O ATOM 1523 CB ARG A 96 -5.888 9.266 -2.699 1.00 0.00 C ATOM 1524 CG ARG A 96 -6.825 10.104 -3.557 1.00 0.00 C ATOM 1525 CD ARG A 96 -7.556 11.154 -2.732 1.00 0.00 C ATOM 1526 NE ARG A 96 -8.372 10.558 -1.671 1.00 0.00 N ATOM 1527 CZ ARG A 96 -8.022 10.512 -0.381 1.00 0.00 C ATOM 1528 NH1 ARG A 96 -6.857 10.997 0.029 1.00 0.00 N ATOM 1529 NH2 ARG A 96 -8.845 9.965 0.503 1.00 0.00 N ATOM 0 H ARG A 96 -4.156 8.427 -1.141 1.00 0.00 H new ATOM 0 HA ARG A 96 -4.071 9.485 -3.827 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -5.992 8.219 -2.983 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -6.198 9.346 -1.657 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -6.255 10.594 -4.347 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -7.551 9.454 -4.044 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -6.830 11.835 -2.289 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -8.193 11.749 -3.387 1.00 0.00 H new ATOM 0 HE ARG A 96 -9.269 10.150 -1.934 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -6.213 11.413 -0.643 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -6.606 10.954 1.017 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -9.740 9.582 0.198 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -8.583 9.927 1.488 1.00 0.00 H new ATOM 1543 N THR A 97 -3.457 11.835 -3.351 1.00 0.00 N ATOM 1544 CA THR A 97 -3.200 13.264 -3.181 1.00 0.00 C ATOM 1545 C THR A 97 -2.917 13.938 -4.526 1.00 0.00 C ATOM 1546 O THR A 97 -2.254 13.309 -5.381 1.00 0.00 O ATOM 1547 CB THR A 97 -2.030 13.488 -2.210 1.00 0.00 C ATOM 1548 OG1 THR A 97 -1.916 14.858 -1.868 1.00 0.00 O ATOM 1549 CG2 THR A 97 -0.689 13.038 -2.755 1.00 0.00 C ATOM 1550 OXT THR A 97 -3.367 15.088 -4.715 1.00 0.00 O ATOM 0 H THR A 97 -2.995 11.419 -4.160 1.00 0.00 H new ATOM 0 HA THR A 97 -4.096 13.719 -2.759 1.00 0.00 H new ATOM 0 HB THR A 97 -2.267 12.878 -1.338 1.00 0.00 H new ATOM 0 HG1 THR A 97 -1.167 14.979 -1.248 1.00 0.00 H new ATOM 0 HG21 THR A 97 0.087 13.228 -2.014 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.726 11.971 -2.977 1.00 0.00 H new ATOM 0 HG23 THR A 97 -0.463 13.591 -3.667 1.00 0.00 H new TER 1558 THR A 97