USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 867 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 76 CYS SG : rot 138:sc= 0.271 USER MOD Set 1.2: A 79 CYS SG : rot 115:sc= 0.693 USER MOD Set 1.3: A 93 CYS SG : rot 130:sc= 1.39 USER MOD Set 1.4: A 96 CYS SG : rot -39:sc= 1.34 USER MOD Set 1.5: A 100 ASN : amide:sc= -0.58 K(o=3.1,f=2) USER MOD Single : A 4 HIS : no HD1:sc= -0.254 X(o=-0.25,f=-0.0087) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot -20:sc= 0.132 USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0.785 K(o=0.78,f=-0.46) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.0537 X(o=-0.054,f=-0.054) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl -167:sc= 0 (180deg=-0.00987) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 74:sc= 0.989 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot -97:sc= -0.404 USER MOD Single : A 61 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.00433) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot -51:sc= 0.12 USER MOD Single : A 81 HIS : no HE2:sc= -0.0458 X(o=-0.046,f=-0.52) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 95:sc= 1.14 USER MOD Single : A 105 GLN : amide:sc= 0.939 K(o=0.94,f=-0.0038) USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 109 MET CE :methyl -154:sc= -1.37 (180deg=-2.75!) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 MET CE :methyl 165:sc= 0 (180deg=-0.144) USER MOD ----------------------------------------------------------------- ATOM 38 N HIS A 4 -15.832 8.479 -3.855 1.00 0.00 N ATOM 39 CA HIS A 4 -14.755 8.087 -2.931 1.00 0.00 C ATOM 40 C HIS A 4 -13.354 8.017 -3.573 1.00 0.00 C ATOM 41 O HIS A 4 -12.348 8.123 -2.872 1.00 0.00 O ATOM 42 CB HIS A 4 -15.112 6.751 -2.257 1.00 0.00 C ATOM 43 CG HIS A 4 -15.030 5.543 -3.164 1.00 0.00 C ATOM 44 ND1 HIS A 4 -16.082 4.928 -3.810 1.00 0.00 N ATOM 45 CD2 HIS A 4 -13.892 4.844 -3.474 1.00 0.00 C ATOM 46 CE1 HIS A 4 -15.587 3.890 -4.509 1.00 0.00 C ATOM 47 NE2 HIS A 4 -14.257 3.802 -4.335 1.00 0.00 N ATOM 0 HA HIS A 4 -14.687 8.882 -2.188 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -14.444 6.598 -1.409 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -16.124 6.820 -1.857 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -12.895 5.058 -3.119 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -16.175 3.223 -5.122 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -13.634 3.110 -4.750 1.00 0.00 H new ATOM 55 N GLU A 5 -13.268 7.872 -4.899 1.00 0.00 N ATOM 56 CA GLU A 5 -12.015 7.767 -5.663 1.00 0.00 C ATOM 57 C GLU A 5 -11.069 8.974 -5.501 1.00 0.00 C ATOM 58 O GLU A 5 -9.855 8.828 -5.641 1.00 0.00 O ATOM 59 CB GLU A 5 -12.339 7.509 -7.146 1.00 0.00 C ATOM 60 CG GLU A 5 -13.010 8.696 -7.858 1.00 0.00 C ATOM 61 CD GLU A 5 -13.521 8.283 -9.252 1.00 0.00 C ATOM 62 OE1 GLU A 5 -12.703 8.161 -10.195 1.00 0.00 O ATOM 63 OE2 GLU A 5 -14.749 8.071 -9.410 1.00 0.00 O ATOM 0 H GLU A 5 -14.096 7.822 -5.493 1.00 0.00 H new ATOM 0 HA GLU A 5 -11.464 6.924 -5.247 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -11.417 7.259 -7.670 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -12.992 6.639 -7.218 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -13.841 9.064 -7.256 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -12.299 9.516 -7.955 1.00 0.00 H new ATOM 70 N TYR A 6 -11.604 10.152 -5.157 1.00 0.00 N ATOM 71 CA TYR A 6 -10.827 11.374 -4.911 1.00 0.00 C ATOM 72 C TYR A 6 -10.441 11.585 -3.437 1.00 0.00 C ATOM 73 O TYR A 6 -9.651 12.483 -3.138 1.00 0.00 O ATOM 74 CB TYR A 6 -11.600 12.578 -5.464 1.00 0.00 C ATOM 75 CG TYR A 6 -11.850 12.506 -6.962 1.00 0.00 C ATOM 76 CD1 TYR A 6 -10.761 12.505 -7.855 1.00 0.00 C ATOM 77 CD2 TYR A 6 -13.166 12.443 -7.460 1.00 0.00 C ATOM 78 CE1 TYR A 6 -10.984 12.457 -9.244 1.00 0.00 C ATOM 79 CE2 TYR A 6 -13.395 12.391 -8.849 1.00 0.00 C ATOM 80 CZ TYR A 6 -12.303 12.400 -9.746 1.00 0.00 C ATOM 81 OH TYR A 6 -12.513 12.365 -11.091 1.00 0.00 O ATOM 0 H TYR A 6 -12.608 10.285 -5.040 1.00 0.00 H new ATOM 0 HA TYR A 6 -9.877 11.264 -5.434 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -12.557 12.653 -4.948 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -11.045 13.489 -5.240 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -9.752 12.541 -7.473 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -14.001 12.435 -6.775 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -10.147 12.464 -9.926 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -14.405 12.344 -9.228 1.00 0.00 H new ATOM 0 HH TYR A 6 -13.476 12.326 -11.271 1.00 0.00 H new ATOM 91 N SER A 7 -10.936 10.752 -2.512 1.00 0.00 N ATOM 92 CA SER A 7 -10.569 10.797 -1.089 1.00 0.00 C ATOM 93 C SER A 7 -9.074 10.526 -0.895 1.00 0.00 C ATOM 94 O SER A 7 -8.358 11.354 -0.328 1.00 0.00 O ATOM 95 CB SER A 7 -11.421 9.803 -0.287 1.00 0.00 C ATOM 96 OG SER A 7 -11.173 9.951 1.100 1.00 0.00 O ATOM 0 H SER A 7 -11.610 10.019 -2.733 1.00 0.00 H new ATOM 0 HA SER A 7 -10.770 11.801 -0.715 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.478 9.970 -0.494 1.00 0.00 H new ATOM 0 HB3 SER A 7 -11.192 8.784 -0.598 1.00 0.00 H new ATOM 0 HG SER A 7 -11.723 9.313 1.601 1.00 0.00 H new ATOM 102 N VAL A 8 -8.573 9.404 -1.435 1.00 0.00 N ATOM 103 CA VAL A 8 -7.146 9.028 -1.397 1.00 0.00 C ATOM 104 C VAL A 8 -6.240 10.090 -2.037 1.00 0.00 C ATOM 105 O VAL A 8 -5.203 10.445 -1.482 1.00 0.00 O ATOM 106 CB VAL A 8 -6.931 7.623 -2.001 1.00 0.00 C ATOM 107 CG1 VAL A 8 -7.210 7.527 -3.502 1.00 0.00 C ATOM 108 CG2 VAL A 8 -5.529 7.097 -1.700 1.00 0.00 C ATOM 0 H VAL A 8 -9.155 8.720 -1.919 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.848 8.982 -0.350 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.675 6.996 -1.510 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -7.033 6.506 -3.840 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -8.247 7.800 -3.698 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -6.549 8.207 -4.039 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.410 6.106 -2.139 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.788 7.774 -2.125 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.387 7.035 -0.621 1.00 0.00 H new ATOM 118 N VAL A 9 -6.664 10.651 -3.173 1.00 0.00 N ATOM 119 CA VAL A 9 -5.983 11.711 -3.932 1.00 0.00 C ATOM 120 C VAL A 9 -5.812 12.980 -3.094 1.00 0.00 C ATOM 121 O VAL A 9 -4.685 13.397 -2.820 1.00 0.00 O ATOM 122 CB VAL A 9 -6.791 12.003 -5.206 1.00 0.00 C ATOM 123 CG1 VAL A 9 -6.203 13.152 -6.020 1.00 0.00 C ATOM 124 CG2 VAL A 9 -6.869 10.771 -6.111 1.00 0.00 C ATOM 0 H VAL A 9 -7.538 10.365 -3.614 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.983 11.370 -4.199 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.787 12.283 -4.864 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.812 13.317 -6.909 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.192 14.058 -5.415 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.185 12.903 -6.318 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.447 11.011 -7.003 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.863 10.468 -6.401 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.353 9.955 -5.574 1.00 0.00 H new ATOM 134 N SER A 10 -6.929 13.579 -2.665 1.00 0.00 N ATOM 135 CA SER A 10 -6.960 14.756 -1.788 1.00 0.00 C ATOM 136 C SER A 10 -6.145 14.535 -0.507 1.00 0.00 C ATOM 137 O SER A 10 -5.366 15.403 -0.107 1.00 0.00 O ATOM 138 CB SER A 10 -8.418 15.095 -1.455 1.00 0.00 C ATOM 139 OG SER A 10 -8.496 16.296 -0.707 1.00 0.00 O ATOM 0 H SER A 10 -7.859 13.251 -2.924 1.00 0.00 H new ATOM 0 HA SER A 10 -6.500 15.593 -2.313 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.992 15.197 -2.376 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.866 14.279 -0.889 1.00 0.00 H new ATOM 0 HG SER A 10 -9.434 16.496 -0.506 1.00 0.00 H new ATOM 145 N SER A 11 -6.262 13.346 0.098 1.00 0.00 N ATOM 146 CA SER A 11 -5.508 12.946 1.295 1.00 0.00 C ATOM 147 C SER A 11 -3.991 12.993 1.069 1.00 0.00 C ATOM 148 O SER A 11 -3.288 13.689 1.804 1.00 0.00 O ATOM 149 CB SER A 11 -5.950 11.558 1.771 1.00 0.00 C ATOM 150 OG SER A 11 -5.303 11.222 2.988 1.00 0.00 O ATOM 0 H SER A 11 -6.896 12.620 -0.237 1.00 0.00 H new ATOM 0 HA SER A 11 -5.733 13.671 2.077 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.031 11.542 1.910 1.00 0.00 H new ATOM 0 HB3 SER A 11 -5.715 10.814 1.010 1.00 0.00 H new ATOM 0 HG SER A 11 -5.596 10.334 3.280 1.00 0.00 H new ATOM 156 N LEU A 12 -3.478 12.318 0.029 1.00 0.00 N ATOM 157 CA LEU A 12 -2.052 12.321 -0.328 1.00 0.00 C ATOM 158 C LEU A 12 -1.520 13.747 -0.514 1.00 0.00 C ATOM 159 O LEU A 12 -0.539 14.115 0.131 1.00 0.00 O ATOM 160 CB LEU A 12 -1.798 11.477 -1.597 1.00 0.00 C ATOM 161 CG LEU A 12 -1.153 10.111 -1.311 1.00 0.00 C ATOM 162 CD1 LEU A 12 -2.091 9.159 -0.568 1.00 0.00 C ATOM 163 CD2 LEU A 12 -0.746 9.462 -2.634 1.00 0.00 C ATOM 0 H LEU A 12 -4.049 11.748 -0.595 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.508 11.869 0.501 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.745 11.321 -2.114 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.154 12.039 -2.273 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.288 10.290 -0.673 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.583 8.211 -0.393 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.375 9.600 0.387 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.985 8.987 -1.168 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.288 8.493 -2.438 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.628 9.326 -3.259 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.031 10.104 -3.149 1.00 0.00 H new ATOM 175 N ILE A 13 -2.181 14.538 -1.367 1.00 0.00 N ATOM 176 CA ILE A 13 -1.822 15.929 -1.681 1.00 0.00 C ATOM 177 C ILE A 13 -1.755 16.781 -0.403 1.00 0.00 C ATOM 178 O ILE A 13 -0.762 17.469 -0.170 1.00 0.00 O ATOM 179 CB ILE A 13 -2.795 16.500 -2.741 1.00 0.00 C ATOM 180 CG1 ILE A 13 -2.596 15.760 -4.085 1.00 0.00 C ATOM 181 CG2 ILE A 13 -2.650 18.022 -2.930 1.00 0.00 C ATOM 182 CD1 ILE A 13 -3.734 15.984 -5.081 1.00 0.00 C ATOM 0 H ILE A 13 -3.006 14.219 -1.874 1.00 0.00 H new ATOM 0 HA ILE A 13 -0.823 15.957 -2.115 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.808 16.332 -2.376 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.660 16.089 -4.536 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.499 14.692 -3.891 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.358 18.364 -3.685 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.855 18.527 -1.986 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.635 18.253 -3.253 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.527 15.435 -6.000 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.670 15.629 -4.650 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.818 17.048 -5.305 1.00 0.00 H new ATOM 194 N ALA A 14 -2.779 16.712 0.456 1.00 0.00 N ATOM 195 CA ALA A 14 -2.809 17.445 1.725 1.00 0.00 C ATOM 196 C ALA A 14 -1.661 17.048 2.677 1.00 0.00 C ATOM 197 O ALA A 14 -0.972 17.920 3.211 1.00 0.00 O ATOM 198 CB ALA A 14 -4.180 17.248 2.381 1.00 0.00 C ATOM 0 H ALA A 14 -3.611 16.145 0.290 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.654 18.502 1.511 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.212 17.790 3.326 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.958 17.627 1.719 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.346 16.187 2.565 1.00 0.00 H new ATOM 204 N LEU A 15 -1.434 15.744 2.883 1.00 0.00 N ATOM 205 CA LEU A 15 -0.355 15.217 3.727 1.00 0.00 C ATOM 206 C LEU A 15 1.031 15.649 3.230 1.00 0.00 C ATOM 207 O LEU A 15 1.816 16.204 3.999 1.00 0.00 O ATOM 208 CB LEU A 15 -0.456 13.679 3.818 1.00 0.00 C ATOM 209 CG LEU A 15 -1.221 13.119 5.034 1.00 0.00 C ATOM 210 CD1 LEU A 15 -0.437 13.320 6.333 1.00 0.00 C ATOM 211 CD2 LEU A 15 -2.620 13.705 5.227 1.00 0.00 C ATOM 0 H LEU A 15 -2.006 15.013 2.460 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.477 15.639 4.724 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.938 13.313 2.911 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.554 13.269 3.830 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.334 12.058 4.809 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.007 12.913 7.168 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.521 12.806 6.263 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.267 14.384 6.494 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.085 13.255 6.104 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.547 14.783 5.368 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.227 13.495 4.346 1.00 0.00 H new ATOM 223 N CYS A 16 1.354 15.402 1.958 1.00 0.00 N ATOM 224 CA CYS A 16 2.676 15.726 1.420 1.00 0.00 C ATOM 225 C CYS A 16 2.948 17.240 1.324 1.00 0.00 C ATOM 226 O CYS A 16 4.079 17.660 1.574 1.00 0.00 O ATOM 227 CB CYS A 16 2.904 14.977 0.106 1.00 0.00 C ATOM 228 SG CYS A 16 1.930 15.659 -1.263 1.00 0.00 S ATOM 0 H CYS A 16 0.718 14.979 1.282 1.00 0.00 H new ATOM 0 HA CYS A 16 3.421 15.376 2.134 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.962 15.016 -0.151 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.647 13.926 0.242 1.00 0.00 H new ATOM 0 HG CYS A 16 0.937 16.350 -0.787 1.00 0.00 H new ATOM 234 N GLU A 17 1.932 18.073 1.069 1.00 0.00 N ATOM 235 CA GLU A 17 2.024 19.534 1.211 1.00 0.00 C ATOM 236 C GLU A 17 2.399 19.933 2.643 1.00 0.00 C ATOM 237 O GLU A 17 3.319 20.730 2.836 1.00 0.00 O ATOM 238 CB GLU A 17 0.714 20.193 0.744 1.00 0.00 C ATOM 239 CG GLU A 17 0.779 21.720 0.568 1.00 0.00 C ATOM 240 CD GLU A 17 0.796 22.544 1.875 1.00 0.00 C ATOM 241 OE1 GLU A 17 0.021 22.243 2.814 1.00 0.00 O ATOM 242 OE2 GLU A 17 1.538 23.554 1.932 1.00 0.00 O ATOM 0 H GLU A 17 1.016 17.752 0.756 1.00 0.00 H new ATOM 0 HA GLU A 17 2.827 19.900 0.570 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.418 19.746 -0.205 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.070 19.959 1.465 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.673 21.964 -0.005 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.077 22.036 -0.028 1.00 0.00 H new ATOM 249 N GLU A 18 1.744 19.337 3.645 1.00 0.00 N ATOM 250 CA GLU A 18 2.009 19.613 5.061 1.00 0.00 C ATOM 251 C GLU A 18 3.436 19.207 5.465 1.00 0.00 C ATOM 252 O GLU A 18 4.142 19.982 6.111 1.00 0.00 O ATOM 253 CB GLU A 18 0.946 18.944 5.948 1.00 0.00 C ATOM 254 CG GLU A 18 1.068 19.377 7.415 1.00 0.00 C ATOM 255 CD GLU A 18 -0.081 18.801 8.263 1.00 0.00 C ATOM 256 OE1 GLU A 18 -1.140 19.463 8.390 1.00 0.00 O ATOM 257 OE2 GLU A 18 0.071 17.689 8.826 1.00 0.00 O ATOM 0 H GLU A 18 1.010 18.645 3.495 1.00 0.00 H new ATOM 0 HA GLU A 18 1.941 20.690 5.214 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.047 19.196 5.577 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.046 17.861 5.880 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.024 19.042 7.818 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.060 20.465 7.478 1.00 0.00 H new ATOM 264 N HIS A 19 3.903 18.029 5.041 1.00 0.00 N ATOM 265 CA HIS A 19 5.285 17.597 5.252 1.00 0.00 C ATOM 266 C HIS A 19 6.295 18.530 4.563 1.00 0.00 C ATOM 267 O HIS A 19 7.317 18.873 5.157 1.00 0.00 O ATOM 268 CB HIS A 19 5.465 16.155 4.764 1.00 0.00 C ATOM 269 CG HIS A 19 4.645 15.130 5.515 1.00 0.00 C ATOM 270 ND1 HIS A 19 4.496 15.044 6.885 1.00 0.00 N ATOM 271 CD2 HIS A 19 3.949 14.090 4.962 1.00 0.00 C ATOM 272 CE1 HIS A 19 3.719 13.980 7.149 1.00 0.00 C ATOM 273 NE2 HIS A 19 3.367 13.364 6.007 1.00 0.00 N ATOM 0 H HIS A 19 3.331 17.348 4.541 1.00 0.00 H new ATOM 0 HA HIS A 19 5.485 17.643 6.322 1.00 0.00 H new ATOM 0 HB2 HIS A 19 5.203 16.107 3.707 1.00 0.00 H new ATOM 0 HB3 HIS A 19 6.519 15.887 4.843 1.00 0.00 H new ATOM 0 HD2 HIS A 19 3.864 13.869 3.908 1.00 0.00 H new ATOM 0 HE1 HIS A 19 3.420 13.665 8.138 1.00 0.00 H new ATOM 0 HE2 HIS A 19 2.788 12.529 5.919 1.00 0.00 H new ATOM 281 N ALA A 20 6.017 18.975 3.331 1.00 0.00 N ATOM 282 CA ALA A 20 6.921 19.841 2.576 1.00 0.00 C ATOM 283 C ALA A 20 7.120 21.204 3.250 1.00 0.00 C ATOM 284 O ALA A 20 8.264 21.615 3.444 1.00 0.00 O ATOM 285 CB ALA A 20 6.427 19.991 1.136 1.00 0.00 C ATOM 0 H ALA A 20 5.158 18.743 2.833 1.00 0.00 H new ATOM 0 HA ALA A 20 7.901 19.365 2.558 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.108 20.638 0.583 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.391 19.011 0.660 1.00 0.00 H new ATOM 0 HB3 ALA A 20 5.430 20.431 1.137 1.00 0.00 H new ATOM 291 N LYS A 21 6.046 21.897 3.659 1.00 0.00 N ATOM 292 CA LYS A 21 6.169 23.159 4.416 1.00 0.00 C ATOM 293 C LYS A 21 6.834 22.973 5.787 1.00 0.00 C ATOM 294 O LYS A 21 7.560 23.861 6.234 1.00 0.00 O ATOM 295 CB LYS A 21 4.812 23.875 4.543 1.00 0.00 C ATOM 296 CG LYS A 21 3.791 23.107 5.398 1.00 0.00 C ATOM 297 CD LYS A 21 2.470 23.861 5.612 1.00 0.00 C ATOM 298 CE LYS A 21 2.643 25.117 6.477 1.00 0.00 C ATOM 299 NZ LYS A 21 1.348 25.815 6.687 1.00 0.00 N ATOM 0 H LYS A 21 5.084 21.608 3.480 1.00 0.00 H new ATOM 0 HA LYS A 21 6.835 23.798 3.836 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.970 24.861 4.979 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.397 24.029 3.547 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.579 22.150 4.922 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.235 22.889 6.369 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.056 24.145 4.644 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.748 23.195 6.084 1.00 0.00 H new ATOM 0 HE2 LYS A 21 3.069 24.840 7.441 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.350 25.795 5.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.500 26.659 7.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.954 26.100 5.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.682 25.175 7.165 1.00 0.00 H new ATOM 313 N LYS A 22 6.639 21.817 6.439 1.00 0.00 N ATOM 314 CA LYS A 22 7.199 21.500 7.767 1.00 0.00 C ATOM 315 C LYS A 22 8.709 21.268 7.689 1.00 0.00 C ATOM 316 O LYS A 22 9.461 21.751 8.535 1.00 0.00 O ATOM 317 CB LYS A 22 6.463 20.278 8.354 1.00 0.00 C ATOM 318 CG LYS A 22 6.784 19.981 9.829 1.00 0.00 C ATOM 319 CD LYS A 22 6.308 21.056 10.821 1.00 0.00 C ATOM 320 CE LYS A 22 4.779 21.216 10.816 1.00 0.00 C ATOM 321 NZ LYS A 22 4.325 22.188 11.846 1.00 0.00 N ATOM 0 H LYS A 22 6.077 21.059 6.052 1.00 0.00 H new ATOM 0 HA LYS A 22 7.047 22.350 8.432 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.389 20.436 8.255 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.713 19.400 7.758 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.329 19.029 10.101 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.862 19.861 9.935 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.641 20.794 11.825 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.772 22.010 10.570 1.00 0.00 H new ATOM 0 HE2 LYS A 22 4.451 21.549 9.831 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.311 20.248 10.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.289 22.270 11.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.616 21.857 12.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.752 23.118 11.658 1.00 0.00 H new ATOM 335 N ASN A 23 9.150 20.589 6.629 1.00 0.00 N ATOM 336 CA ASN A 23 10.564 20.394 6.289 1.00 0.00 C ATOM 337 C ASN A 23 11.178 21.589 5.523 1.00 0.00 C ATOM 338 O ASN A 23 12.360 21.567 5.180 1.00 0.00 O ATOM 339 CB ASN A 23 10.684 19.081 5.495 1.00 0.00 C ATOM 340 CG ASN A 23 12.112 18.556 5.415 1.00 0.00 C ATOM 341 OD1 ASN A 23 12.885 18.616 6.363 1.00 0.00 O ATOM 342 ND2 ASN A 23 12.508 18.002 4.292 1.00 0.00 N ATOM 0 H ASN A 23 8.517 20.146 5.963 1.00 0.00 H new ATOM 0 HA ASN A 23 11.142 20.332 7.211 1.00 0.00 H new ATOM 0 HB2 ASN A 23 10.051 18.324 5.959 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.305 19.239 4.485 1.00 0.00 H new ATOM 0 HD21 ASN A 23 13.453 17.626 4.214 1.00 0.00 H new ATOM 0 HD22 ASN A 23 11.871 17.948 3.498 1.00 0.00 H new ATOM 349 N GLN A 24 10.381 22.633 5.252 1.00 0.00 N ATOM 350 CA GLN A 24 10.739 23.846 4.499 1.00 0.00 C ATOM 351 C GLN A 24 11.244 23.538 3.070 1.00 0.00 C ATOM 352 O GLN A 24 12.043 24.286 2.501 1.00 0.00 O ATOM 353 CB GLN A 24 11.704 24.716 5.334 1.00 0.00 C ATOM 354 CG GLN A 24 11.125 25.129 6.700 1.00 0.00 C ATOM 355 CD GLN A 24 12.210 25.681 7.619 1.00 0.00 C ATOM 356 OE1 GLN A 24 12.505 26.870 7.646 1.00 0.00 O ATOM 357 NE2 GLN A 24 12.854 24.838 8.403 1.00 0.00 N ATOM 0 H GLN A 24 9.412 22.655 5.571 1.00 0.00 H new ATOM 0 HA GLN A 24 9.835 24.433 4.335 1.00 0.00 H new ATOM 0 HB2 GLN A 24 12.633 24.167 5.492 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.956 25.613 4.768 1.00 0.00 H new ATOM 0 HG2 GLN A 24 10.350 25.882 6.556 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.650 24.268 7.171 1.00 0.00 H new ATOM 0 HE21 GLN A 24 12.617 23.846 8.389 1.00 0.00 H new ATOM 0 HE22 GLN A 24 13.589 25.178 9.023 1.00 0.00 H new ATOM 366 N ALA A 25 10.796 22.419 2.487 1.00 0.00 N ATOM 367 CA ALA A 25 11.248 21.917 1.189 1.00 0.00 C ATOM 368 C ALA A 25 10.717 22.740 -0.002 1.00 0.00 C ATOM 369 O ALA A 25 11.381 22.842 -1.034 1.00 0.00 O ATOM 370 CB ALA A 25 10.809 20.453 1.085 1.00 0.00 C ATOM 0 H ALA A 25 10.090 21.824 2.919 1.00 0.00 H new ATOM 0 HA ALA A 25 12.333 22.008 1.135 1.00 0.00 H new ATOM 0 HB1 ALA A 25 11.130 20.044 0.127 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.261 19.879 1.894 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.723 20.393 1.160 1.00 0.00 H new ATOM 376 N HIS A 26 9.518 23.325 0.136 1.00 0.00 N ATOM 377 CA HIS A 26 8.789 24.148 -0.849 1.00 0.00 C ATOM 378 C HIS A 26 8.514 23.494 -2.231 1.00 0.00 C ATOM 379 O HIS A 26 7.899 24.116 -3.099 1.00 0.00 O ATOM 380 CB HIS A 26 9.457 25.535 -0.934 1.00 0.00 C ATOM 381 CG HIS A 26 8.588 26.613 -1.539 1.00 0.00 C ATOM 382 ND1 HIS A 26 8.885 27.364 -2.657 1.00 0.00 N ATOM 383 CD2 HIS A 26 7.371 27.035 -1.070 1.00 0.00 C ATOM 384 CE1 HIS A 26 7.866 28.216 -2.865 1.00 0.00 C ATOM 385 NE2 HIS A 26 6.921 28.053 -1.921 1.00 0.00 N ATOM 0 H HIS A 26 8.990 23.230 1.004 1.00 0.00 H new ATOM 0 HA HIS A 26 7.772 24.255 -0.473 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.752 25.844 0.069 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.370 25.449 -1.523 1.00 0.00 H new ATOM 0 HD2 HIS A 26 6.853 26.653 -0.203 1.00 0.00 H new ATOM 0 HE1 HIS A 26 7.813 28.929 -3.674 1.00 0.00 H new ATOM 0 HE2 HIS A 26 6.046 28.571 -1.841 1.00 0.00 H new ATOM 393 N LYS A 27 8.905 22.227 -2.433 1.00 0.00 N ATOM 394 CA LYS A 27 8.503 21.321 -3.525 1.00 0.00 C ATOM 395 C LYS A 27 8.701 19.848 -3.130 1.00 0.00 C ATOM 396 O LYS A 27 9.222 19.559 -2.052 1.00 0.00 O ATOM 397 CB LYS A 27 9.237 21.688 -4.827 1.00 0.00 C ATOM 398 CG LYS A 27 10.742 21.385 -4.809 1.00 0.00 C ATOM 399 CD LYS A 27 11.418 21.914 -6.080 1.00 0.00 C ATOM 400 CE LYS A 27 11.610 23.437 -6.028 1.00 0.00 C ATOM 401 NZ LYS A 27 12.308 23.943 -7.239 1.00 0.00 N ATOM 0 H LYS A 27 9.557 21.774 -1.793 1.00 0.00 H new ATOM 0 HA LYS A 27 7.436 21.449 -3.709 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.779 21.146 -5.654 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.094 22.750 -5.024 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.199 21.842 -3.931 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.900 20.310 -4.728 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.386 21.429 -6.206 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.815 21.653 -6.949 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.639 23.924 -5.937 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.183 23.702 -5.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.420 24.975 -7.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 13.245 23.497 -7.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 11.748 23.712 -8.084 1.00 0.00 H new ATOM 415 N ILE A 28 8.307 18.924 -4.007 1.00 0.00 N ATOM 416 CA ILE A 28 8.465 17.466 -3.862 1.00 0.00 C ATOM 417 C ILE A 28 9.177 16.909 -5.103 1.00 0.00 C ATOM 418 O ILE A 28 8.914 17.338 -6.227 1.00 0.00 O ATOM 419 CB ILE A 28 7.078 16.813 -3.635 1.00 0.00 C ATOM 420 CG1 ILE A 28 6.529 17.207 -2.246 1.00 0.00 C ATOM 421 CG2 ILE A 28 7.106 15.279 -3.777 1.00 0.00 C ATOM 422 CD1 ILE A 28 5.058 16.832 -2.059 1.00 0.00 C ATOM 0 H ILE A 28 7.847 19.178 -4.881 1.00 0.00 H new ATOM 0 HA ILE A 28 9.080 17.232 -2.993 1.00 0.00 H new ATOM 0 HB ILE A 28 6.418 17.190 -4.416 1.00 0.00 H new ATOM 0 HG12 ILE A 28 7.124 16.719 -1.474 1.00 0.00 H new ATOM 0 HG13 ILE A 28 6.645 18.282 -2.106 1.00 0.00 H new ATOM 0 HG21 ILE A 28 6.106 14.880 -3.607 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.437 15.012 -4.781 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.794 14.858 -3.044 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.729 17.134 -1.065 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.454 17.341 -2.811 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.941 15.754 -2.168 1.00 0.00 H new ATOM 434 N GLU A 29 10.069 15.936 -4.906 1.00 0.00 N ATOM 435 CA GLU A 29 10.684 15.156 -5.985 1.00 0.00 C ATOM 436 C GLU A 29 9.796 13.948 -6.347 1.00 0.00 C ATOM 437 O GLU A 29 9.480 13.741 -7.522 1.00 0.00 O ATOM 438 CB GLU A 29 12.106 14.729 -5.579 1.00 0.00 C ATOM 439 CG GLU A 29 12.878 14.135 -6.770 1.00 0.00 C ATOM 440 CD GLU A 29 14.373 13.854 -6.491 1.00 0.00 C ATOM 441 OE1 GLU A 29 14.891 14.165 -5.391 1.00 0.00 O ATOM 442 OE2 GLU A 29 15.058 13.340 -7.411 1.00 0.00 O ATOM 0 H GLU A 29 10.390 15.663 -3.977 1.00 0.00 H new ATOM 0 HA GLU A 29 10.767 15.774 -6.879 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.647 15.590 -5.186 1.00 0.00 H new ATOM 0 HB3 GLU A 29 12.051 13.994 -4.776 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.397 13.204 -7.071 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.802 14.820 -7.614 1.00 0.00 H new ATOM 449 N ARG A 30 9.363 13.164 -5.343 1.00 0.00 N ATOM 450 CA ARG A 30 8.619 11.902 -5.514 1.00 0.00 C ATOM 451 C ARG A 30 7.686 11.556 -4.341 1.00 0.00 C ATOM 452 O ARG A 30 7.927 11.934 -3.196 1.00 0.00 O ATOM 453 CB ARG A 30 9.659 10.780 -5.699 1.00 0.00 C ATOM 454 CG ARG A 30 9.207 9.581 -6.546 1.00 0.00 C ATOM 455 CD ARG A 30 10.363 8.576 -6.681 1.00 0.00 C ATOM 456 NE ARG A 30 11.537 9.170 -7.349 1.00 0.00 N ATOM 457 CZ ARG A 30 11.715 9.341 -8.646 1.00 0.00 C ATOM 458 NH1 ARG A 30 10.871 8.908 -9.541 1.00 0.00 N ATOM 459 NH2 ARG A 30 12.770 9.974 -9.074 1.00 0.00 N ATOM 0 H ARG A 30 9.525 13.397 -4.363 1.00 0.00 H new ATOM 0 HA ARG A 30 7.966 12.013 -6.379 1.00 0.00 H new ATOM 0 HB2 ARG A 30 10.550 11.209 -6.157 1.00 0.00 H new ATOM 0 HB3 ARG A 30 9.951 10.415 -4.714 1.00 0.00 H new ATOM 0 HG2 ARG A 30 8.346 9.100 -6.082 1.00 0.00 H new ATOM 0 HG3 ARG A 30 8.890 9.919 -7.532 1.00 0.00 H new ATOM 0 HD2 ARG A 30 10.651 8.219 -5.692 1.00 0.00 H new ATOM 0 HD3 ARG A 30 10.025 7.708 -7.247 1.00 0.00 H new ATOM 0 HE ARG A 30 12.294 9.483 -6.742 1.00 0.00 H new ATOM 0 HH11 ARG A 30 10.028 8.412 -9.250 1.00 0.00 H new ATOM 0 HH12 ARG A 30 11.053 9.065 -10.532 1.00 0.00 H new ATOM 0 HH21 ARG A 30 13.453 10.335 -8.408 1.00 0.00 H new ATOM 0 HH22 ARG A 30 12.913 10.109 -10.075 1.00 0.00 H new ATOM 473 N VAL A 31 6.695 10.716 -4.622 1.00 0.00 N ATOM 474 CA VAL A 31 5.934 9.859 -3.700 1.00 0.00 C ATOM 475 C VAL A 31 6.010 8.411 -4.181 1.00 0.00 C ATOM 476 O VAL A 31 5.849 8.131 -5.369 1.00 0.00 O ATOM 477 CB VAL A 31 4.479 10.341 -3.527 1.00 0.00 C ATOM 478 CG1 VAL A 31 3.695 10.575 -4.818 1.00 0.00 C ATOM 479 CG2 VAL A 31 3.639 9.389 -2.661 1.00 0.00 C ATOM 0 H VAL A 31 6.371 10.603 -5.582 1.00 0.00 H new ATOM 0 HA VAL A 31 6.383 9.922 -2.709 1.00 0.00 H new ATOM 0 HB VAL A 31 4.623 11.305 -3.040 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.687 10.911 -4.576 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.197 11.336 -5.416 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.641 9.645 -5.384 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.624 9.777 -2.573 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.611 8.403 -3.126 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.085 9.310 -1.669 1.00 0.00 H new ATOM 489 N VAL A 32 6.268 7.491 -3.255 1.00 0.00 N ATOM 490 CA VAL A 32 6.383 6.046 -3.483 1.00 0.00 C ATOM 491 C VAL A 32 5.279 5.352 -2.689 1.00 0.00 C ATOM 492 O VAL A 32 5.164 5.543 -1.476 1.00 0.00 O ATOM 493 CB VAL A 32 7.781 5.524 -3.095 1.00 0.00 C ATOM 494 CG1 VAL A 32 7.941 4.054 -3.499 1.00 0.00 C ATOM 495 CG2 VAL A 32 8.903 6.316 -3.785 1.00 0.00 C ATOM 0 H VAL A 32 6.410 7.741 -2.276 1.00 0.00 H new ATOM 0 HA VAL A 32 6.263 5.827 -4.544 1.00 0.00 H new ATOM 0 HB VAL A 32 7.862 5.642 -2.014 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.934 3.705 -3.216 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.187 3.453 -2.991 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.816 3.957 -4.577 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.870 5.915 -3.483 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.796 6.231 -4.866 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.839 7.365 -3.495 1.00 0.00 H new ATOM 505 N VAL A 33 4.437 4.578 -3.370 1.00 0.00 N ATOM 506 CA VAL A 33 3.216 3.961 -2.824 1.00 0.00 C ATOM 507 C VAL A 33 3.175 2.462 -3.154 1.00 0.00 C ATOM 508 O VAL A 33 3.751 2.039 -4.157 1.00 0.00 O ATOM 509 CB VAL A 33 1.992 4.733 -3.366 1.00 0.00 C ATOM 510 CG1 VAL A 33 1.700 4.426 -4.830 1.00 0.00 C ATOM 511 CG2 VAL A 33 0.704 4.486 -2.587 1.00 0.00 C ATOM 0 H VAL A 33 4.586 4.351 -4.353 1.00 0.00 H new ATOM 0 HA VAL A 33 3.204 4.028 -1.736 1.00 0.00 H new ATOM 0 HB VAL A 33 2.287 5.776 -3.246 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.830 4.997 -5.155 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.562 4.700 -5.438 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.499 3.361 -4.945 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.106 5.064 -3.031 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.455 3.425 -2.623 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.842 4.792 -1.550 1.00 0.00 H new ATOM 521 N GLY A 34 2.499 1.653 -2.333 1.00 0.00 N ATOM 522 CA GLY A 34 2.372 0.203 -2.510 1.00 0.00 C ATOM 523 C GLY A 34 0.916 -0.215 -2.690 1.00 0.00 C ATOM 524 O GLY A 34 0.045 0.243 -1.949 1.00 0.00 O ATOM 0 H GLY A 34 2.012 1.997 -1.505 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.951 -0.110 -3.379 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.794 -0.308 -1.645 1.00 0.00 H new ATOM 528 N ILE A 35 0.651 -1.084 -3.668 1.00 0.00 N ATOM 529 CA ILE A 35 -0.685 -1.584 -4.035 1.00 0.00 C ATOM 530 C ILE A 35 -0.618 -3.106 -4.177 1.00 0.00 C ATOM 531 O ILE A 35 0.198 -3.620 -4.944 1.00 0.00 O ATOM 532 CB ILE A 35 -1.203 -0.926 -5.338 1.00 0.00 C ATOM 533 CG1 ILE A 35 -1.207 0.612 -5.190 1.00 0.00 C ATOM 534 CG2 ILE A 35 -2.607 -1.463 -5.681 1.00 0.00 C ATOM 535 CD1 ILE A 35 -1.980 1.386 -6.263 1.00 0.00 C ATOM 0 H ILE A 35 1.388 -1.477 -4.253 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.392 -1.320 -3.249 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.536 -1.182 -6.161 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.627 0.863 -4.216 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.174 0.960 -5.192 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.962 -0.994 -6.599 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.559 -2.543 -5.820 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.294 -1.232 -4.867 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.915 2.455 -6.059 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.551 1.177 -7.243 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.025 1.078 -6.252 1.00 0.00 H new ATOM 547 N GLY A 36 -1.459 -3.828 -3.432 1.00 0.00 N ATOM 548 CA GLY A 36 -1.492 -5.295 -3.450 1.00 0.00 C ATOM 549 C GLY A 36 -1.909 -5.867 -4.811 1.00 0.00 C ATOM 550 O GLY A 36 -2.776 -5.317 -5.490 1.00 0.00 O ATOM 0 H GLY A 36 -2.139 -3.411 -2.797 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.506 -5.679 -3.187 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.185 -5.647 -2.686 1.00 0.00 H new ATOM 554 N GLU A 37 -1.356 -7.019 -5.196 1.00 0.00 N ATOM 555 CA GLU A 37 -1.596 -7.668 -6.496 1.00 0.00 C ATOM 556 C GLU A 37 -3.035 -8.201 -6.644 1.00 0.00 C ATOM 557 O GLU A 37 -3.472 -8.546 -7.747 1.00 0.00 O ATOM 558 CB GLU A 37 -0.544 -8.765 -6.755 1.00 0.00 C ATOM 559 CG GLU A 37 -0.502 -9.893 -5.709 1.00 0.00 C ATOM 560 CD GLU A 37 0.358 -11.082 -6.180 1.00 0.00 C ATOM 561 OE1 GLU A 37 -0.020 -11.761 -7.167 1.00 0.00 O ATOM 562 OE2 GLU A 37 1.400 -11.367 -5.544 1.00 0.00 O ATOM 0 H GLU A 37 -0.713 -7.542 -4.602 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.487 -6.903 -7.264 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.735 -9.206 -7.733 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.440 -8.298 -6.802 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.102 -9.505 -4.772 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.516 -10.237 -5.505 1.00 0.00 H new ATOM 569 N ARG A 38 -3.793 -8.227 -5.537 1.00 0.00 N ATOM 570 CA ARG A 38 -5.222 -8.553 -5.467 1.00 0.00 C ATOM 571 C ARG A 38 -6.125 -7.370 -5.071 1.00 0.00 C ATOM 572 O ARG A 38 -7.338 -7.546 -4.959 1.00 0.00 O ATOM 573 CB ARG A 38 -5.433 -9.766 -4.544 1.00 0.00 C ATOM 574 CG ARG A 38 -4.604 -11.024 -4.867 1.00 0.00 C ATOM 575 CD ARG A 38 -4.586 -11.485 -6.331 1.00 0.00 C ATOM 576 NE ARG A 38 -5.936 -11.648 -6.904 1.00 0.00 N ATOM 577 CZ ARG A 38 -6.415 -11.107 -8.011 1.00 0.00 C ATOM 578 NH1 ARG A 38 -5.749 -10.237 -8.720 1.00 0.00 N ATOM 579 NH2 ARG A 38 -7.604 -11.434 -8.433 1.00 0.00 N ATOM 0 H ARG A 38 -3.403 -8.010 -4.620 1.00 0.00 H new ATOM 0 HA ARG A 38 -5.535 -8.806 -6.480 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.208 -9.461 -3.522 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -6.489 -10.036 -4.571 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -3.575 -10.842 -4.556 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.981 -11.845 -4.257 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -4.030 -10.761 -6.927 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.052 -12.432 -6.401 1.00 0.00 H new ATOM 0 HE ARG A 38 -6.575 -12.249 -6.384 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.816 -9.947 -8.426 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -6.161 -9.847 -9.568 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -8.164 -12.107 -7.909 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -7.975 -11.017 -9.287 1.00 0.00 H new ATOM 593 N SER A 39 -5.570 -6.164 -4.891 1.00 0.00 N ATOM 594 CA SER A 39 -6.342 -4.932 -4.616 1.00 0.00 C ATOM 595 C SER A 39 -7.164 -4.448 -5.825 1.00 0.00 C ATOM 596 O SER A 39 -8.103 -3.672 -5.649 1.00 0.00 O ATOM 597 CB SER A 39 -5.407 -3.798 -4.164 1.00 0.00 C ATOM 598 OG SER A 39 -4.836 -4.067 -2.894 1.00 0.00 O ATOM 0 H SER A 39 -4.563 -6.008 -4.931 1.00 0.00 H new ATOM 0 HA SER A 39 -7.042 -5.189 -3.821 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.614 -3.665 -4.899 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.963 -2.862 -4.122 1.00 0.00 H new ATOM 0 HG SER A 39 -4.246 -3.328 -2.637 1.00 0.00 H new ATOM 604 N ALA A 40 -6.835 -4.907 -7.043 1.00 0.00 N ATOM 605 CA ALA A 40 -7.523 -4.635 -8.318 1.00 0.00 C ATOM 606 C ALA A 40 -7.690 -3.137 -8.699 1.00 0.00 C ATOM 607 O ALA A 40 -8.500 -2.798 -9.566 1.00 0.00 O ATOM 608 CB ALA A 40 -8.837 -5.433 -8.345 1.00 0.00 C ATOM 0 H ALA A 40 -6.029 -5.518 -7.173 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.866 -4.980 -9.117 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.359 -5.243 -9.283 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.618 -6.497 -8.261 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.467 -5.125 -7.510 1.00 0.00 H new ATOM 614 N MET A 41 -6.933 -2.235 -8.064 1.00 0.00 N ATOM 615 CA MET A 41 -6.932 -0.791 -8.334 1.00 0.00 C ATOM 616 C MET A 41 -6.270 -0.482 -9.684 1.00 0.00 C ATOM 617 O MET A 41 -5.192 -0.996 -9.992 1.00 0.00 O ATOM 618 CB MET A 41 -6.187 -0.048 -7.212 1.00 0.00 C ATOM 619 CG MET A 41 -6.863 -0.226 -5.848 1.00 0.00 C ATOM 620 SD MET A 41 -6.003 0.592 -4.480 1.00 0.00 S ATOM 621 CE MET A 41 -7.034 0.002 -3.110 1.00 0.00 C ATOM 0 H MET A 41 -6.283 -2.498 -7.324 1.00 0.00 H new ATOM 0 HA MET A 41 -7.968 -0.453 -8.372 1.00 0.00 H new ATOM 0 HB2 MET A 41 -5.161 -0.412 -7.157 1.00 0.00 H new ATOM 0 HB3 MET A 41 -6.136 1.014 -7.454 1.00 0.00 H new ATOM 0 HG2 MET A 41 -7.880 0.161 -5.906 1.00 0.00 H new ATOM 0 HG3 MET A 41 -6.939 -1.291 -5.629 1.00 0.00 H new ATOM 0 HE1 MET A 41 -6.809 0.576 -2.211 1.00 0.00 H new ATOM 0 HE2 MET A 41 -8.086 0.127 -3.366 1.00 0.00 H new ATOM 0 HE3 MET A 41 -6.828 -1.053 -2.928 1.00 0.00 H new ATOM 631 N ASP A 42 -6.888 0.389 -10.482 1.00 0.00 N ATOM 632 CA ASP A 42 -6.302 0.915 -11.719 1.00 0.00 C ATOM 633 C ASP A 42 -5.254 1.992 -11.387 1.00 0.00 C ATOM 634 O ASP A 42 -5.590 3.160 -11.178 1.00 0.00 O ATOM 635 CB ASP A 42 -7.409 1.449 -12.643 1.00 0.00 C ATOM 636 CG ASP A 42 -8.208 0.312 -13.299 1.00 0.00 C ATOM 637 OD1 ASP A 42 -7.652 -0.381 -14.185 1.00 0.00 O ATOM 638 OD2 ASP A 42 -9.398 0.119 -12.950 1.00 0.00 O ATOM 0 H ASP A 42 -7.820 0.754 -10.287 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.791 0.113 -12.253 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -8.085 2.084 -12.070 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -6.965 2.074 -13.418 1.00 0.00 H new ATOM 643 N LYS A 43 -3.970 1.612 -11.319 1.00 0.00 N ATOM 644 CA LYS A 43 -2.860 2.522 -10.993 1.00 0.00 C ATOM 645 C LYS A 43 -2.774 3.742 -11.921 1.00 0.00 C ATOM 646 O LYS A 43 -2.478 4.842 -11.458 1.00 0.00 O ATOM 647 CB LYS A 43 -1.543 1.730 -10.936 1.00 0.00 C ATOM 648 CG LYS A 43 -1.175 0.976 -12.223 1.00 0.00 C ATOM 649 CD LYS A 43 0.260 0.435 -12.177 1.00 0.00 C ATOM 650 CE LYS A 43 0.506 -0.558 -11.031 1.00 0.00 C ATOM 651 NZ LYS A 43 1.921 -1.017 -10.999 1.00 0.00 N ATOM 0 H LYS A 43 -3.668 0.653 -11.491 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.058 2.945 -10.008 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.734 2.419 -10.694 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.605 1.012 -10.119 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.870 0.150 -12.371 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.285 1.642 -13.079 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.486 -0.054 -13.125 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.952 1.271 -12.077 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.254 -0.088 -10.081 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.154 -1.418 -11.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.051 -1.686 -10.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.154 -1.488 -11.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.548 -0.199 -10.864 1.00 0.00 H new ATOM 665 N SER A 44 -3.099 3.555 -13.204 1.00 0.00 N ATOM 666 CA SER A 44 -3.199 4.612 -14.221 1.00 0.00 C ATOM 667 C SER A 44 -4.276 5.645 -13.863 1.00 0.00 C ATOM 668 O SER A 44 -4.009 6.845 -13.849 1.00 0.00 O ATOM 669 CB SER A 44 -3.478 3.985 -15.593 1.00 0.00 C ATOM 670 OG SER A 44 -3.454 4.975 -16.607 1.00 0.00 O ATOM 0 H SER A 44 -3.308 2.630 -13.579 1.00 0.00 H new ATOM 0 HA SER A 44 -2.247 5.142 -14.257 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.733 3.219 -15.807 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.449 3.491 -15.582 1.00 0.00 H new ATOM 0 HG SER A 44 -3.632 4.558 -17.476 1.00 0.00 H new ATOM 676 N LEU A 45 -5.482 5.189 -13.501 1.00 0.00 N ATOM 677 CA LEU A 45 -6.581 6.040 -13.030 1.00 0.00 C ATOM 678 C LEU A 45 -6.202 6.801 -11.749 1.00 0.00 C ATOM 679 O LEU A 45 -6.372 8.017 -11.688 1.00 0.00 O ATOM 680 CB LEU A 45 -7.837 5.164 -12.857 1.00 0.00 C ATOM 681 CG LEU A 45 -9.066 5.859 -12.245 1.00 0.00 C ATOM 682 CD1 LEU A 45 -9.515 7.084 -13.045 1.00 0.00 C ATOM 683 CD2 LEU A 45 -10.233 4.873 -12.186 1.00 0.00 C ATOM 0 H LEU A 45 -5.725 4.199 -13.528 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.794 6.813 -13.769 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.117 4.768 -13.833 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.577 4.311 -12.230 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.775 6.193 -11.249 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -10.385 7.533 -12.566 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.705 7.812 -13.081 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.775 6.781 -14.059 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -11.104 5.365 -11.752 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -10.473 4.532 -13.193 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -9.956 4.017 -11.570 1.00 0.00 H new ATOM 695 N PHE A 46 -5.659 6.110 -10.743 1.00 0.00 N ATOM 696 CA PHE A 46 -5.212 6.721 -9.486 1.00 0.00 C ATOM 697 C PHE A 46 -4.138 7.807 -9.694 1.00 0.00 C ATOM 698 O PHE A 46 -4.339 8.941 -9.251 1.00 0.00 O ATOM 699 CB PHE A 46 -4.765 5.620 -8.518 1.00 0.00 C ATOM 700 CG PHE A 46 -3.999 6.124 -7.309 1.00 0.00 C ATOM 701 CD1 PHE A 46 -4.612 6.940 -6.333 1.00 0.00 C ATOM 702 CD2 PHE A 46 -2.638 5.795 -7.187 1.00 0.00 C ATOM 703 CE1 PHE A 46 -3.856 7.421 -5.248 1.00 0.00 C ATOM 704 CE2 PHE A 46 -1.903 6.241 -6.080 1.00 0.00 C ATOM 705 CZ PHE A 46 -2.505 7.061 -5.116 1.00 0.00 C ATOM 0 H PHE A 46 -5.515 5.101 -10.778 1.00 0.00 H new ATOM 0 HA PHE A 46 -6.055 7.251 -9.042 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -5.645 5.075 -8.175 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -4.140 4.909 -9.059 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.658 7.194 -6.419 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -2.158 5.197 -7.948 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.316 8.068 -4.516 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.868 5.952 -5.969 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.931 7.416 -4.273 1.00 0.00 H new ATOM 715 N VAL A 47 -3.029 7.526 -10.397 1.00 0.00 N ATOM 716 CA VAL A 47 -2.043 8.580 -10.714 1.00 0.00 C ATOM 717 C VAL A 47 -2.621 9.702 -11.553 1.00 0.00 C ATOM 718 O VAL A 47 -2.338 10.866 -11.287 1.00 0.00 O ATOM 719 CB VAL A 47 -0.769 8.043 -11.373 1.00 0.00 C ATOM 720 CG1 VAL A 47 -0.840 7.595 -12.831 1.00 0.00 C ATOM 721 CG2 VAL A 47 0.368 9.060 -11.275 1.00 0.00 C ATOM 0 H VAL A 47 -2.792 6.599 -10.752 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.769 8.989 -9.742 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.600 7.135 -10.794 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.140 7.242 -13.151 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.566 6.788 -12.929 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.145 8.435 -13.455 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.261 8.654 -11.750 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.076 9.982 -11.778 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.579 9.270 -10.226 1.00 0.00 H new ATOM 731 N SER A 48 -3.463 9.389 -12.534 1.00 0.00 N ATOM 732 CA SER A 48 -4.089 10.414 -13.363 1.00 0.00 C ATOM 733 C SER A 48 -5.010 11.333 -12.540 1.00 0.00 C ATOM 734 O SER A 48 -5.107 12.532 -12.814 1.00 0.00 O ATOM 735 CB SER A 48 -4.840 9.744 -14.516 1.00 0.00 C ATOM 736 OG SER A 48 -5.378 10.692 -15.423 1.00 0.00 O ATOM 0 H SER A 48 -3.727 8.434 -12.774 1.00 0.00 H new ATOM 0 HA SER A 48 -3.310 11.055 -13.775 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.164 9.076 -15.049 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.645 9.129 -14.115 1.00 0.00 H new ATOM 0 HG SER A 48 -5.848 10.224 -16.145 1.00 0.00 H new ATOM 742 N ALA A 49 -5.619 10.812 -11.469 1.00 0.00 N ATOM 743 CA ALA A 49 -6.404 11.599 -10.516 1.00 0.00 C ATOM 744 C ALA A 49 -5.512 12.516 -9.653 1.00 0.00 C ATOM 745 O ALA A 49 -5.828 13.696 -9.490 1.00 0.00 O ATOM 746 CB ALA A 49 -7.275 10.660 -9.673 1.00 0.00 C ATOM 0 H ALA A 49 -5.579 9.819 -11.238 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.063 12.269 -11.069 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.860 11.245 -8.963 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.948 10.104 -10.326 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.638 9.962 -9.130 1.00 0.00 H new ATOM 752 N PHE A 50 -4.365 12.023 -9.163 1.00 0.00 N ATOM 753 CA PHE A 50 -3.314 12.865 -8.566 1.00 0.00 C ATOM 754 C PHE A 50 -2.835 13.974 -9.525 1.00 0.00 C ATOM 755 O PHE A 50 -2.835 15.148 -9.161 1.00 0.00 O ATOM 756 CB PHE A 50 -2.164 11.977 -8.067 1.00 0.00 C ATOM 757 CG PHE A 50 -0.978 12.738 -7.501 1.00 0.00 C ATOM 758 CD1 PHE A 50 -1.005 13.209 -6.173 1.00 0.00 C ATOM 759 CD2 PHE A 50 0.153 12.985 -8.306 1.00 0.00 C ATOM 760 CE1 PHE A 50 0.091 13.923 -5.656 1.00 0.00 C ATOM 761 CE2 PHE A 50 1.240 13.715 -7.792 1.00 0.00 C ATOM 762 CZ PHE A 50 1.209 14.183 -6.466 1.00 0.00 C ATOM 0 H PHE A 50 -4.138 11.029 -9.169 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.736 13.390 -7.709 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.548 11.305 -7.299 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.819 11.354 -8.892 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.868 13.021 -5.552 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.185 12.613 -9.319 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.073 14.272 -4.634 1.00 0.00 H new ATOM 0 HE2 PHE A 50 2.099 13.916 -8.416 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.044 14.742 -6.071 1.00 0.00 H new ATOM 772 N GLU A 51 -2.498 13.636 -10.771 1.00 0.00 N ATOM 773 CA GLU A 51 -2.062 14.575 -11.821 1.00 0.00 C ATOM 774 C GLU A 51 -3.134 15.606 -12.210 1.00 0.00 C ATOM 775 O GLU A 51 -2.816 16.689 -12.704 1.00 0.00 O ATOM 776 CB GLU A 51 -1.659 13.798 -13.082 1.00 0.00 C ATOM 777 CG GLU A 51 -0.408 12.941 -12.885 1.00 0.00 C ATOM 778 CD GLU A 51 0.879 13.775 -13.029 1.00 0.00 C ATOM 779 OE1 GLU A 51 1.272 14.463 -12.059 1.00 0.00 O ATOM 780 OE2 GLU A 51 1.500 13.749 -14.121 1.00 0.00 O ATOM 0 H GLU A 51 -2.520 12.669 -11.094 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.217 15.121 -11.402 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.487 13.157 -13.387 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.485 14.502 -13.895 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.434 12.479 -11.898 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.402 12.132 -13.615 1.00 0.00 H new ATOM 787 N THR A 52 -4.405 15.283 -11.973 1.00 0.00 N ATOM 788 CA THR A 52 -5.540 16.215 -12.060 1.00 0.00 C ATOM 789 C THR A 52 -5.564 17.170 -10.858 1.00 0.00 C ATOM 790 O THR A 52 -5.472 18.386 -11.033 1.00 0.00 O ATOM 791 CB THR A 52 -6.872 15.454 -12.198 1.00 0.00 C ATOM 792 OG1 THR A 52 -6.866 14.671 -13.374 1.00 0.00 O ATOM 793 CG2 THR A 52 -8.076 16.388 -12.308 1.00 0.00 C ATOM 0 H THR A 52 -4.687 14.339 -11.707 1.00 0.00 H new ATOM 0 HA THR A 52 -5.410 16.819 -12.958 1.00 0.00 H new ATOM 0 HB THR A 52 -6.961 14.845 -11.298 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.282 13.895 -13.247 1.00 0.00 H new ATOM 0 HG21 THR A 52 -8.987 15.797 -12.403 1.00 0.00 H new ATOM 0 HG22 THR A 52 -8.138 17.009 -11.414 1.00 0.00 H new ATOM 0 HG23 THR A 52 -7.963 17.025 -13.185 1.00 0.00 H new ATOM 801 N PHE A 53 -5.684 16.648 -9.630 1.00 0.00 N ATOM 802 CA PHE A 53 -5.850 17.455 -8.409 1.00 0.00 C ATOM 803 C PHE A 53 -4.580 18.165 -7.898 1.00 0.00 C ATOM 804 O PHE A 53 -4.698 19.013 -7.012 1.00 0.00 O ATOM 805 CB PHE A 53 -6.488 16.604 -7.294 1.00 0.00 C ATOM 806 CG PHE A 53 -7.980 16.818 -7.122 1.00 0.00 C ATOM 807 CD1 PHE A 53 -8.460 18.086 -6.734 1.00 0.00 C ATOM 808 CD2 PHE A 53 -8.887 15.758 -7.307 1.00 0.00 C ATOM 809 CE1 PHE A 53 -9.839 18.300 -6.559 1.00 0.00 C ATOM 810 CE2 PHE A 53 -10.266 15.975 -7.130 1.00 0.00 C ATOM 811 CZ PHE A 53 -10.743 17.244 -6.760 1.00 0.00 C ATOM 0 H PHE A 53 -5.669 15.644 -9.452 1.00 0.00 H new ATOM 0 HA PHE A 53 -6.515 18.269 -8.697 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -6.306 15.551 -7.508 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -5.989 16.829 -6.351 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -7.765 18.897 -6.570 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -8.525 14.779 -7.585 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -10.202 19.275 -6.270 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -10.961 15.162 -7.279 1.00 0.00 H new ATOM 0 HZ PHE A 53 -11.803 17.407 -6.630 1.00 0.00 H new ATOM 821 N ARG A 54 -3.387 17.893 -8.453 1.00 0.00 N ATOM 822 CA ARG A 54 -2.094 18.504 -8.061 1.00 0.00 C ATOM 823 C ARG A 54 -2.133 20.032 -7.951 1.00 0.00 C ATOM 824 O ARG A 54 -1.420 20.606 -7.135 1.00 0.00 O ATOM 825 CB ARG A 54 -0.968 18.050 -9.017 1.00 0.00 C ATOM 826 CG ARG A 54 -1.128 18.565 -10.457 1.00 0.00 C ATOM 827 CD ARG A 54 -0.084 17.984 -11.421 1.00 0.00 C ATOM 828 NE ARG A 54 -0.457 18.302 -12.810 1.00 0.00 N ATOM 829 CZ ARG A 54 0.156 19.071 -13.691 1.00 0.00 C ATOM 830 NH1 ARG A 54 1.330 19.602 -13.490 1.00 0.00 N ATOM 831 NH2 ARG A 54 -0.423 19.329 -14.830 1.00 0.00 N ATOM 0 H ARG A 54 -3.287 17.220 -9.213 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.885 18.143 -7.054 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.011 18.392 -8.623 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.935 16.961 -9.033 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.126 18.316 -10.817 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.051 19.652 -10.459 1.00 0.00 H new ATOM 0 HD2 ARG A 54 0.900 18.394 -11.196 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.017 16.904 -11.291 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.316 17.863 -13.140 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.824 19.431 -12.614 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.754 20.189 -14.209 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.342 18.938 -15.035 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.043 19.922 -15.516 1.00 0.00 H new ATOM 845 N GLU A 55 -2.992 20.664 -8.749 1.00 0.00 N ATOM 846 CA GLU A 55 -3.233 22.107 -8.837 1.00 0.00 C ATOM 847 C GLU A 55 -3.636 22.763 -7.502 1.00 0.00 C ATOM 848 O GLU A 55 -3.399 23.953 -7.293 1.00 0.00 O ATOM 849 CB GLU A 55 -4.382 22.349 -9.826 1.00 0.00 C ATOM 850 CG GLU A 55 -4.119 21.866 -11.254 1.00 0.00 C ATOM 851 CD GLU A 55 -3.337 22.906 -12.080 1.00 0.00 C ATOM 852 OE1 GLU A 55 -2.084 22.882 -12.059 1.00 0.00 O ATOM 853 OE2 GLU A 55 -3.972 23.751 -12.758 1.00 0.00 O ATOM 0 H GLU A 55 -3.582 20.145 -9.399 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.290 22.554 -9.152 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -5.276 21.852 -9.449 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.599 23.417 -9.854 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.559 20.932 -11.223 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -5.068 21.652 -11.745 1.00 0.00 H new ATOM 860 N GLU A 56 -4.266 21.997 -6.605 1.00 0.00 N ATOM 861 CA GLU A 56 -4.731 22.443 -5.278 1.00 0.00 C ATOM 862 C GLU A 56 -3.583 22.865 -4.327 1.00 0.00 C ATOM 863 O GLU A 56 -3.820 23.552 -3.331 1.00 0.00 O ATOM 864 CB GLU A 56 -5.601 21.331 -4.650 1.00 0.00 C ATOM 865 CG GLU A 56 -6.887 21.822 -3.965 1.00 0.00 C ATOM 866 CD GLU A 56 -6.667 22.560 -2.628 1.00 0.00 C ATOM 867 OE1 GLU A 56 -6.269 21.912 -1.628 1.00 0.00 O ATOM 868 OE2 GLU A 56 -6.976 23.775 -2.548 1.00 0.00 O ATOM 0 H GLU A 56 -4.476 21.015 -6.785 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.325 23.345 -5.423 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.871 20.618 -5.429 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.001 20.791 -3.918 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.415 22.487 -4.648 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.537 20.965 -3.788 1.00 0.00 H new ATOM 875 N SER A 57 -2.332 22.516 -4.652 1.00 0.00 N ATOM 876 CA SER A 57 -1.105 22.904 -3.934 1.00 0.00 C ATOM 877 C SER A 57 -0.009 23.343 -4.918 1.00 0.00 C ATOM 878 O SER A 57 -0.128 23.128 -6.120 1.00 0.00 O ATOM 879 CB SER A 57 -0.604 21.726 -3.081 1.00 0.00 C ATOM 880 OG SER A 57 -1.601 21.271 -2.180 1.00 0.00 O ATOM 0 H SER A 57 -2.135 21.927 -5.461 1.00 0.00 H new ATOM 0 HA SER A 57 -1.339 23.747 -3.284 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.301 20.907 -3.733 1.00 0.00 H new ATOM 0 HB3 SER A 57 0.280 22.031 -2.522 1.00 0.00 H new ATOM 0 HG SER A 57 -1.250 20.521 -1.655 1.00 0.00 H new ATOM 886 N LEU A 58 1.090 23.936 -4.432 1.00 0.00 N ATOM 887 CA LEU A 58 2.258 24.271 -5.266 1.00 0.00 C ATOM 888 C LEU A 58 3.185 23.057 -5.449 1.00 0.00 C ATOM 889 O LEU A 58 3.587 22.733 -6.566 1.00 0.00 O ATOM 890 CB LEU A 58 3.037 25.457 -4.651 1.00 0.00 C ATOM 891 CG LEU A 58 2.510 26.876 -4.952 1.00 0.00 C ATOM 892 CD1 LEU A 58 2.554 27.209 -6.445 1.00 0.00 C ATOM 893 CD2 LEU A 58 1.088 27.120 -4.446 1.00 0.00 C ATOM 0 H LEU A 58 1.197 24.198 -3.452 1.00 0.00 H new ATOM 0 HA LEU A 58 1.892 24.562 -6.251 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.055 25.325 -3.569 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.069 25.399 -4.996 1.00 0.00 H new ATOM 0 HG LEU A 58 3.188 27.533 -4.407 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.173 28.218 -6.604 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.583 27.149 -6.801 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.938 26.497 -6.995 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.784 28.137 -4.692 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.407 26.413 -4.919 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.058 26.984 -3.365 1.00 0.00 H new ATOM 905 N VAL A 59 3.513 22.377 -4.346 1.00 0.00 N ATOM 906 CA VAL A 59 4.553 21.330 -4.257 1.00 0.00 C ATOM 907 C VAL A 59 4.221 20.063 -5.048 1.00 0.00 C ATOM 908 O VAL A 59 5.118 19.326 -5.451 1.00 0.00 O ATOM 909 CB VAL A 59 4.837 20.951 -2.787 1.00 0.00 C ATOM 910 CG1 VAL A 59 5.137 22.187 -1.930 1.00 0.00 C ATOM 911 CG2 VAL A 59 3.709 20.184 -2.089 1.00 0.00 C ATOM 0 H VAL A 59 3.048 22.542 -3.453 1.00 0.00 H new ATOM 0 HA VAL A 59 5.442 21.771 -4.709 1.00 0.00 H new ATOM 0 HB VAL A 59 5.703 20.293 -2.862 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.331 21.879 -0.903 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.013 22.701 -2.327 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.280 22.861 -1.951 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.001 19.963 -1.062 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.804 20.791 -2.086 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.519 19.252 -2.621 1.00 0.00 H new ATOM 921 N CYS A 60 2.929 19.810 -5.264 1.00 0.00 N ATOM 922 CA CYS A 60 2.416 18.668 -6.013 1.00 0.00 C ATOM 923 C CYS A 60 2.600 18.806 -7.529 1.00 0.00 C ATOM 924 O CYS A 60 2.663 17.793 -8.228 1.00 0.00 O ATOM 925 CB CYS A 60 0.932 18.501 -5.647 1.00 0.00 C ATOM 926 SG CYS A 60 0.848 17.436 -4.184 1.00 0.00 S ATOM 0 H CYS A 60 2.189 20.416 -4.910 1.00 0.00 H new ATOM 0 HA CYS A 60 2.988 17.782 -5.738 1.00 0.00 H new ATOM 0 HB2 CYS A 60 0.476 19.470 -5.443 1.00 0.00 H new ATOM 0 HB3 CYS A 60 0.380 18.058 -6.476 1.00 0.00 H new ATOM 0 HG CYS A 60 0.615 16.211 -4.552 1.00 0.00 H new ATOM 932 N LYS A 61 2.676 20.035 -8.058 1.00 0.00 N ATOM 933 CA LYS A 61 2.544 20.279 -9.509 1.00 0.00 C ATOM 934 C LYS A 61 3.691 19.742 -10.368 1.00 0.00 C ATOM 935 O LYS A 61 3.473 19.482 -11.551 1.00 0.00 O ATOM 936 CB LYS A 61 2.267 21.762 -9.789 1.00 0.00 C ATOM 937 CG LYS A 61 1.024 22.191 -9.000 1.00 0.00 C ATOM 938 CD LYS A 61 0.390 23.522 -9.398 1.00 0.00 C ATOM 939 CE LYS A 61 1.332 24.735 -9.361 1.00 0.00 C ATOM 940 NZ LYS A 61 1.988 24.992 -10.673 1.00 0.00 N ATOM 0 H LYS A 61 2.828 20.879 -7.506 1.00 0.00 H new ATOM 0 HA LYS A 61 1.682 19.689 -9.821 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.126 22.367 -9.499 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.110 21.922 -10.856 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.270 21.410 -9.101 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.291 22.242 -7.944 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.013 23.426 -10.406 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.453 23.717 -8.735 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.769 25.619 -9.062 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.097 24.573 -8.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.890 25.486 -10.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.166 24.088 -11.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.367 25.582 -11.262 1.00 0.00 H new ATOM 954 N ASP A 62 4.865 19.525 -9.778 1.00 0.00 N ATOM 955 CA ASP A 62 6.067 18.956 -10.408 1.00 0.00 C ATOM 956 C ASP A 62 6.571 17.657 -9.735 1.00 0.00 C ATOM 957 O ASP A 62 7.638 17.149 -10.088 1.00 0.00 O ATOM 958 CB ASP A 62 7.159 20.036 -10.516 1.00 0.00 C ATOM 959 CG ASP A 62 7.858 20.367 -9.183 1.00 0.00 C ATOM 960 OD1 ASP A 62 7.161 20.595 -8.166 1.00 0.00 O ATOM 961 OD2 ASP A 62 9.109 20.455 -9.167 1.00 0.00 O ATOM 0 H ASP A 62 5.017 19.752 -8.795 1.00 0.00 H new ATOM 0 HA ASP A 62 5.790 18.641 -11.414 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.910 19.706 -11.234 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.714 20.947 -10.915 1.00 0.00 H new ATOM 966 N ALA A 63 5.808 17.102 -8.785 1.00 0.00 N ATOM 967 CA ALA A 63 6.070 15.801 -8.162 1.00 0.00 C ATOM 968 C ALA A 63 5.858 14.618 -9.137 1.00 0.00 C ATOM 969 O ALA A 63 5.188 14.751 -10.165 1.00 0.00 O ATOM 970 CB ALA A 63 5.147 15.666 -6.944 1.00 0.00 C ATOM 0 H ALA A 63 4.971 17.557 -8.420 1.00 0.00 H new ATOM 0 HA ALA A 63 7.118 15.761 -7.864 1.00 0.00 H new ATOM 0 HB1 ALA A 63 5.321 14.705 -6.460 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.355 16.470 -6.239 1.00 0.00 H new ATOM 0 HB3 ALA A 63 4.108 15.727 -7.267 1.00 0.00 H new ATOM 976 N ILE A 64 6.364 13.434 -8.769 1.00 0.00 N ATOM 977 CA ILE A 64 6.193 12.157 -9.489 1.00 0.00 C ATOM 978 C ILE A 64 5.631 11.095 -8.532 1.00 0.00 C ATOM 979 O ILE A 64 6.061 11.018 -7.381 1.00 0.00 O ATOM 980 CB ILE A 64 7.544 11.697 -10.090 1.00 0.00 C ATOM 981 CG1 ILE A 64 8.218 12.733 -11.018 1.00 0.00 C ATOM 982 CG2 ILE A 64 7.429 10.335 -10.799 1.00 0.00 C ATOM 983 CD1 ILE A 64 7.455 13.014 -12.314 1.00 0.00 C ATOM 0 H ILE A 64 6.929 13.331 -7.926 1.00 0.00 H new ATOM 0 HA ILE A 64 5.488 12.297 -10.308 1.00 0.00 H new ATOM 0 HB ILE A 64 8.200 11.591 -9.226 1.00 0.00 H new ATOM 0 HG12 ILE A 64 8.337 13.668 -10.471 1.00 0.00 H new ATOM 0 HG13 ILE A 64 9.218 12.381 -11.269 1.00 0.00 H new ATOM 0 HG21 ILE A 64 8.401 10.053 -11.205 1.00 0.00 H new ATOM 0 HG22 ILE A 64 7.101 9.580 -10.085 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.704 10.407 -11.610 1.00 0.00 H new ATOM 0 HD11 ILE A 64 7.999 13.752 -12.904 1.00 0.00 H new ATOM 0 HD12 ILE A 64 7.358 12.092 -12.886 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.463 13.399 -12.076 1.00 0.00 H new ATOM 995 N LEU A 65 4.697 10.261 -8.997 1.00 0.00 N ATOM 996 CA LEU A 65 4.035 9.212 -8.212 1.00 0.00 C ATOM 997 C LEU A 65 4.390 7.816 -8.748 1.00 0.00 C ATOM 998 O LEU A 65 3.957 7.416 -9.829 1.00 0.00 O ATOM 999 CB LEU A 65 2.532 9.553 -8.116 1.00 0.00 C ATOM 1000 CG LEU A 65 1.528 8.427 -7.791 1.00 0.00 C ATOM 1001 CD1 LEU A 65 1.884 7.482 -6.647 1.00 0.00 C ATOM 1002 CD2 LEU A 65 0.186 9.046 -7.392 1.00 0.00 C ATOM 0 H LEU A 65 4.369 10.297 -9.962 1.00 0.00 H new ATOM 0 HA LEU A 65 4.399 9.178 -7.185 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.418 10.325 -7.355 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.234 9.995 -9.066 1.00 0.00 H new ATOM 0 HG LEU A 65 1.520 7.837 -8.708 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.093 6.741 -6.528 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.824 6.977 -6.871 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.990 8.052 -5.724 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.526 8.254 -7.162 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.323 9.677 -6.514 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.196 9.649 -8.216 1.00 0.00 H new ATOM 1014 N ASP A 66 5.209 7.090 -7.979 1.00 0.00 N ATOM 1015 CA ASP A 66 5.730 5.751 -8.299 1.00 0.00 C ATOM 1016 C ASP A 66 4.992 4.630 -7.537 1.00 0.00 C ATOM 1017 O ASP A 66 5.039 4.551 -6.307 1.00 0.00 O ATOM 1018 CB ASP A 66 7.244 5.700 -8.040 1.00 0.00 C ATOM 1019 CG ASP A 66 8.039 6.245 -9.236 1.00 0.00 C ATOM 1020 OD1 ASP A 66 8.143 5.531 -10.262 1.00 0.00 O ATOM 1021 OD2 ASP A 66 8.583 7.371 -9.147 1.00 0.00 O ATOM 0 H ASP A 66 5.543 7.432 -7.078 1.00 0.00 H new ATOM 0 HA ASP A 66 5.546 5.570 -9.358 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.481 6.281 -7.149 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.545 4.672 -7.840 1.00 0.00 H new ATOM 1026 N ILE A 67 4.290 3.766 -8.283 1.00 0.00 N ATOM 1027 CA ILE A 67 3.340 2.762 -7.779 1.00 0.00 C ATOM 1028 C ILE A 67 3.939 1.347 -7.825 1.00 0.00 C ATOM 1029 O ILE A 67 3.985 0.704 -8.880 1.00 0.00 O ATOM 1030 CB ILE A 67 2.005 2.870 -8.551 1.00 0.00 C ATOM 1031 CG1 ILE A 67 1.413 4.296 -8.441 1.00 0.00 C ATOM 1032 CG2 ILE A 67 1.004 1.844 -7.992 1.00 0.00 C ATOM 1033 CD1 ILE A 67 0.267 4.571 -9.408 1.00 0.00 C ATOM 0 H ILE A 67 4.372 3.746 -9.300 1.00 0.00 H new ATOM 0 HA ILE A 67 3.133 2.965 -6.728 1.00 0.00 H new ATOM 0 HB ILE A 67 2.196 2.662 -9.604 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.060 4.453 -7.422 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.206 5.022 -8.619 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.063 1.920 -8.536 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.410 0.839 -8.108 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.829 2.045 -6.935 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -0.091 5.591 -9.267 1.00 0.00 H new ATOM 0 HD12 ILE A 67 0.618 4.448 -10.433 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -0.546 3.871 -9.217 1.00 0.00 H new ATOM 1045 N VAL A 68 4.395 0.860 -6.670 1.00 0.00 N ATOM 1046 CA VAL A 68 4.961 -0.483 -6.454 1.00 0.00 C ATOM 1047 C VAL A 68 3.867 -1.557 -6.444 1.00 0.00 C ATOM 1048 O VAL A 68 2.935 -1.518 -5.637 1.00 0.00 O ATOM 1049 CB VAL A 68 5.777 -0.537 -5.143 1.00 0.00 C ATOM 1050 CG1 VAL A 68 6.423 -1.914 -4.925 1.00 0.00 C ATOM 1051 CG2 VAL A 68 6.911 0.496 -5.176 1.00 0.00 C ATOM 0 H VAL A 68 4.381 1.415 -5.814 1.00 0.00 H new ATOM 0 HA VAL A 68 5.632 -0.690 -7.288 1.00 0.00 H new ATOM 0 HB VAL A 68 5.076 -0.328 -4.335 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.987 -1.908 -3.992 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.646 -2.677 -4.874 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.095 -2.136 -5.754 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.476 0.445 -4.245 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.573 0.283 -6.015 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.490 1.495 -5.291 1.00 0.00 H new ATOM 1061 N ASP A 69 4.001 -2.536 -7.340 1.00 0.00 N ATOM 1062 CA ASP A 69 3.221 -3.783 -7.352 1.00 0.00 C ATOM 1063 C ASP A 69 3.641 -4.703 -6.189 1.00 0.00 C ATOM 1064 O ASP A 69 4.713 -5.313 -6.209 1.00 0.00 O ATOM 1065 CB ASP A 69 3.394 -4.480 -8.710 1.00 0.00 C ATOM 1066 CG ASP A 69 2.558 -5.767 -8.807 1.00 0.00 C ATOM 1067 OD1 ASP A 69 1.309 -5.674 -8.758 1.00 0.00 O ATOM 1068 OD2 ASP A 69 3.142 -6.865 -8.969 1.00 0.00 O ATOM 0 H ASP A 69 4.676 -2.485 -8.103 1.00 0.00 H new ATOM 0 HA ASP A 69 2.166 -3.549 -7.212 1.00 0.00 H new ATOM 0 HB2 ASP A 69 3.102 -3.797 -9.508 1.00 0.00 H new ATOM 0 HB3 ASP A 69 4.446 -4.719 -8.864 1.00 0.00 H new ATOM 1073 N GLU A 70 2.823 -4.758 -5.140 1.00 0.00 N ATOM 1074 CA GLU A 70 3.104 -5.415 -3.867 1.00 0.00 C ATOM 1075 C GLU A 70 2.448 -6.806 -3.780 1.00 0.00 C ATOM 1076 O GLU A 70 1.340 -7.018 -4.277 1.00 0.00 O ATOM 1077 CB GLU A 70 2.561 -4.484 -2.773 1.00 0.00 C ATOM 1078 CG GLU A 70 3.294 -4.610 -1.446 1.00 0.00 C ATOM 1079 CD GLU A 70 4.724 -4.040 -1.515 1.00 0.00 C ATOM 1080 OE1 GLU A 70 4.893 -2.809 -1.351 1.00 0.00 O ATOM 1081 OE2 GLU A 70 5.678 -4.828 -1.721 1.00 0.00 O ATOM 0 H GLU A 70 1.900 -4.324 -5.157 1.00 0.00 H new ATOM 0 HA GLU A 70 4.175 -5.584 -3.753 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.628 -3.453 -3.119 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.504 -4.699 -2.616 1.00 0.00 H new ATOM 0 HG2 GLU A 70 2.733 -4.087 -0.672 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.337 -5.659 -1.154 1.00 0.00 H new ATOM 1088 N LYS A 71 3.104 -7.770 -3.125 1.00 0.00 N ATOM 1089 CA LYS A 71 2.579 -9.136 -2.957 1.00 0.00 C ATOM 1090 C LYS A 71 1.452 -9.226 -1.919 1.00 0.00 C ATOM 1091 O LYS A 71 1.235 -8.291 -1.143 1.00 0.00 O ATOM 1092 CB LYS A 71 3.733 -10.077 -2.605 1.00 0.00 C ATOM 1093 CG LYS A 71 4.747 -10.140 -3.758 1.00 0.00 C ATOM 1094 CD LYS A 71 5.723 -11.275 -3.468 1.00 0.00 C ATOM 1095 CE LYS A 71 6.780 -11.474 -4.565 1.00 0.00 C ATOM 1096 NZ LYS A 71 7.775 -10.368 -4.605 1.00 0.00 N ATOM 0 H LYS A 71 4.017 -7.628 -2.694 1.00 0.00 H new ATOM 0 HA LYS A 71 2.130 -9.439 -3.903 1.00 0.00 H new ATOM 0 HB2 LYS A 71 4.227 -9.732 -1.697 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.346 -11.075 -2.398 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.236 -10.310 -4.706 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.280 -9.193 -3.849 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.227 -11.077 -2.522 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.163 -12.202 -3.343 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.298 -12.419 -4.399 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.285 -11.548 -5.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.466 -10.549 -5.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 7.287 -9.469 -4.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.269 -10.312 -3.691 1.00 0.00 H new ATOM 1110 N VAL A 72 0.785 -10.381 -1.860 1.00 0.00 N ATOM 1111 CA VAL A 72 -0.236 -10.721 -0.849 1.00 0.00 C ATOM 1112 C VAL A 72 0.096 -11.996 -0.072 1.00 0.00 C ATOM 1113 O VAL A 72 0.845 -12.851 -0.548 1.00 0.00 O ATOM 1114 CB VAL A 72 -1.648 -10.834 -1.458 1.00 0.00 C ATOM 1115 CG1 VAL A 72 -2.125 -9.504 -2.048 1.00 0.00 C ATOM 1116 CG2 VAL A 72 -1.742 -11.920 -2.537 1.00 0.00 C ATOM 0 H VAL A 72 0.940 -11.133 -2.532 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.227 -9.888 -0.146 1.00 0.00 H new ATOM 0 HB VAL A 72 -2.297 -11.114 -0.628 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.124 -9.629 -2.466 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.152 -8.747 -1.264 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.439 -9.188 -2.834 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -2.758 -11.955 -2.931 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.047 -11.691 -3.345 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.488 -12.887 -2.103 1.00 0.00 H new ATOM 1126 N GLU A 73 -0.488 -12.147 1.120 1.00 0.00 N ATOM 1127 CA GLU A 73 -0.341 -13.337 1.973 1.00 0.00 C ATOM 1128 C GLU A 73 -1.550 -13.505 2.912 1.00 0.00 C ATOM 1129 O GLU A 73 -2.097 -12.516 3.406 1.00 0.00 O ATOM 1130 CB GLU A 73 0.969 -13.194 2.767 1.00 0.00 C ATOM 1131 CG GLU A 73 1.483 -14.515 3.345 1.00 0.00 C ATOM 1132 CD GLU A 73 2.945 -14.358 3.812 1.00 0.00 C ATOM 1133 OE1 GLU A 73 3.204 -13.601 4.780 1.00 0.00 O ATOM 1134 OE2 GLU A 73 3.849 -14.981 3.205 1.00 0.00 O ATOM 0 H GLU A 73 -1.089 -11.433 1.530 1.00 0.00 H new ATOM 0 HA GLU A 73 -0.303 -14.234 1.355 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.734 -12.770 2.116 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.815 -12.486 3.582 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.857 -14.822 4.183 1.00 0.00 H new ATOM 0 HG3 GLU A 73 1.416 -15.300 2.592 1.00 0.00 H new ATOM 1141 N LEU A 74 -1.967 -14.749 3.167 1.00 0.00 N ATOM 1142 CA LEU A 74 -3.155 -15.138 3.942 1.00 0.00 C ATOM 1143 C LEU A 74 -2.742 -15.893 5.221 1.00 0.00 C ATOM 1144 O LEU A 74 -2.364 -17.065 5.156 1.00 0.00 O ATOM 1145 CB LEU A 74 -4.080 -16.008 3.057 1.00 0.00 C ATOM 1146 CG LEU A 74 -5.078 -15.296 2.120 1.00 0.00 C ATOM 1147 CD1 LEU A 74 -6.262 -14.721 2.891 1.00 0.00 C ATOM 1148 CD2 LEU A 74 -4.476 -14.158 1.297 1.00 0.00 C ATOM 0 H LEU A 74 -1.456 -15.560 2.819 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.698 -14.244 4.248 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.447 -16.648 2.443 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.651 -16.662 3.716 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.394 -16.083 1.435 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.943 -14.227 2.197 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -6.788 -15.526 3.404 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.903 -13.998 3.623 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.249 -13.716 0.668 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.074 -13.398 1.967 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.675 -14.548 0.668 1.00 0.00 H new ATOM 1160 N GLU A 75 -2.790 -15.238 6.385 1.00 0.00 N ATOM 1161 CA GLU A 75 -2.622 -15.881 7.696 1.00 0.00 C ATOM 1162 C GLU A 75 -3.911 -16.552 8.200 1.00 0.00 C ATOM 1163 O GLU A 75 -5.018 -16.098 7.904 1.00 0.00 O ATOM 1164 CB GLU A 75 -2.088 -14.884 8.748 1.00 0.00 C ATOM 1165 CG GLU A 75 -3.114 -13.879 9.299 1.00 0.00 C ATOM 1166 CD GLU A 75 -2.486 -12.916 10.329 1.00 0.00 C ATOM 1167 OE1 GLU A 75 -1.955 -13.378 11.367 1.00 0.00 O ATOM 1168 OE2 GLU A 75 -2.529 -11.680 10.114 1.00 0.00 O ATOM 0 H GLU A 75 -2.949 -14.232 6.446 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.883 -16.669 7.554 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.678 -15.451 9.584 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -1.262 -14.326 8.306 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.536 -13.303 8.475 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.938 -14.420 9.764 1.00 0.00 H new ATOM 1175 N CYS A 76 -3.768 -17.593 9.024 1.00 0.00 N ATOM 1176 CA CYS A 76 -4.857 -18.145 9.829 1.00 0.00 C ATOM 1177 C CYS A 76 -5.122 -17.285 11.088 1.00 0.00 C ATOM 1178 O CYS A 76 -4.230 -16.604 11.606 1.00 0.00 O ATOM 1179 CB CYS A 76 -4.461 -19.572 10.209 1.00 0.00 C ATOM 1180 SG CYS A 76 -5.919 -20.579 10.629 1.00 0.00 S ATOM 0 H CYS A 76 -2.881 -18.081 9.151 1.00 0.00 H new ATOM 0 HA CYS A 76 -5.786 -18.145 9.258 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -3.924 -20.035 9.381 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -3.778 -19.547 11.058 1.00 0.00 H new ATOM 0 HG CYS A 76 -5.795 -21.762 10.104 1.00 0.00 H new ATOM 1185 N LYS A 77 -6.353 -17.356 11.605 1.00 0.00 N ATOM 1186 CA LYS A 77 -6.842 -16.644 12.803 1.00 0.00 C ATOM 1187 C LYS A 77 -6.125 -17.026 14.105 1.00 0.00 C ATOM 1188 O LYS A 77 -5.524 -16.171 14.754 1.00 0.00 O ATOM 1189 CB LYS A 77 -8.363 -16.859 12.952 1.00 0.00 C ATOM 1190 CG LYS A 77 -9.199 -15.977 12.010 1.00 0.00 C ATOM 1191 CD LYS A 77 -9.218 -14.488 12.392 1.00 0.00 C ATOM 1192 CE LYS A 77 -9.933 -14.225 13.717 1.00 0.00 C ATOM 1193 NZ LYS A 77 -10.010 -12.772 14.025 1.00 0.00 N ATOM 0 H LYS A 77 -7.076 -17.939 11.183 1.00 0.00 H new ATOM 0 HA LYS A 77 -6.615 -15.590 12.641 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -8.595 -17.906 12.759 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -8.652 -16.653 13.983 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -8.809 -16.076 10.997 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -10.223 -16.350 11.995 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -8.194 -14.122 12.458 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -9.709 -13.921 11.601 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -10.939 -14.641 13.676 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -9.408 -14.740 14.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -10.502 -12.635 14.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -9.049 -12.379 14.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -10.533 -12.284 13.270 1.00 0.00 H new ATOM 1207 N ASP A 78 -6.241 -18.288 14.512 1.00 0.00 N ATOM 1208 CA ASP A 78 -5.838 -18.807 15.832 1.00 0.00 C ATOM 1209 C ASP A 78 -4.933 -20.049 15.690 1.00 0.00 C ATOM 1210 O ASP A 78 -5.253 -21.153 16.143 1.00 0.00 O ATOM 1211 CB ASP A 78 -7.100 -19.046 16.683 1.00 0.00 C ATOM 1212 CG ASP A 78 -6.783 -19.459 18.133 1.00 0.00 C ATOM 1213 OD1 ASP A 78 -5.834 -18.905 18.738 1.00 0.00 O ATOM 1214 OD2 ASP A 78 -7.520 -20.307 18.697 1.00 0.00 O ATOM 0 H ASP A 78 -6.634 -19.013 13.912 1.00 0.00 H new ATOM 0 HA ASP A 78 -5.227 -18.073 16.357 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -7.701 -18.137 16.694 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -7.705 -19.822 16.215 1.00 0.00 H new ATOM 1219 N CYS A 79 -3.816 -19.849 14.986 1.00 0.00 N ATOM 1220 CA CYS A 79 -2.946 -20.877 14.412 1.00 0.00 C ATOM 1221 C CYS A 79 -1.454 -20.478 14.522 1.00 0.00 C ATOM 1222 O CYS A 79 -1.065 -19.680 15.379 1.00 0.00 O ATOM 1223 CB CYS A 79 -3.407 -21.033 12.956 1.00 0.00 C ATOM 1224 SG CYS A 79 -3.600 -22.751 12.413 1.00 0.00 S ATOM 0 H CYS A 79 -3.475 -18.908 14.790 1.00 0.00 H new ATOM 0 HA CYS A 79 -3.022 -21.824 14.947 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -4.359 -20.516 12.831 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -2.687 -20.537 12.305 1.00 0.00 H new ATOM 0 HG CYS A 79 -4.850 -22.983 12.143 1.00 0.00 H new ATOM 1229 N SER A 80 -0.620 -21.032 13.635 1.00 0.00 N ATOM 1230 CA SER A 80 0.815 -20.705 13.509 1.00 0.00 C ATOM 1231 C SER A 80 1.327 -20.794 12.056 1.00 0.00 C ATOM 1232 O SER A 80 2.506 -21.069 11.816 1.00 0.00 O ATOM 1233 CB SER A 80 1.623 -21.596 14.468 1.00 0.00 C ATOM 1234 OG SER A 80 2.921 -21.073 14.705 1.00 0.00 O ATOM 0 H SER A 80 -0.926 -21.738 12.966 1.00 0.00 H new ATOM 0 HA SER A 80 0.954 -19.662 13.792 1.00 0.00 H new ATOM 0 HB2 SER A 80 1.090 -21.689 15.414 1.00 0.00 H new ATOM 0 HB3 SER A 80 1.706 -22.599 14.049 1.00 0.00 H new ATOM 0 HG SER A 80 3.356 -20.877 13.849 1.00 0.00 H new ATOM 1240 N HIS A 81 0.438 -20.618 11.070 1.00 0.00 N ATOM 1241 CA HIS A 81 0.717 -20.820 9.643 1.00 0.00 C ATOM 1242 C HIS A 81 0.050 -19.754 8.749 1.00 0.00 C ATOM 1243 O HIS A 81 -1.028 -19.239 9.067 1.00 0.00 O ATOM 1244 CB HIS A 81 0.252 -22.236 9.273 1.00 0.00 C ATOM 1245 CG HIS A 81 0.476 -22.576 7.824 1.00 0.00 C ATOM 1246 ND1 HIS A 81 1.698 -22.787 7.220 1.00 0.00 N ATOM 1247 CD2 HIS A 81 -0.490 -22.645 6.857 1.00 0.00 C ATOM 1248 CE1 HIS A 81 1.475 -22.972 5.907 1.00 0.00 C ATOM 1249 NE2 HIS A 81 0.159 -22.888 5.643 1.00 0.00 N ATOM 0 H HIS A 81 -0.522 -20.323 11.248 1.00 0.00 H new ATOM 0 HA HIS A 81 1.787 -20.712 9.467 1.00 0.00 H new ATOM 0 HB2 HIS A 81 0.781 -22.959 9.895 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -0.809 -22.334 9.502 1.00 0.00 H new ATOM 0 HD1 HIS A 81 2.606 -22.800 7.685 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -1.554 -22.533 7.004 1.00 0.00 H new ATOM 0 HE1 HIS A 81 2.242 -23.161 5.171 1.00 0.00 H new ATOM 1257 N VAL A 82 0.687 -19.448 7.611 1.00 0.00 N ATOM 1258 CA VAL A 82 0.196 -18.565 6.542 1.00 0.00 C ATOM 1259 C VAL A 82 0.532 -19.153 5.158 1.00 0.00 C ATOM 1260 O VAL A 82 1.540 -19.852 5.013 1.00 0.00 O ATOM 1261 CB VAL A 82 0.749 -17.124 6.693 1.00 0.00 C ATOM 1262 CG1 VAL A 82 0.891 -16.639 8.147 1.00 0.00 C ATOM 1263 CG2 VAL A 82 2.110 -16.881 6.040 1.00 0.00 C ATOM 0 H VAL A 82 1.609 -19.830 7.399 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.889 -18.502 6.630 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.026 -16.561 6.173 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.284 -15.622 8.155 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.085 -16.654 8.633 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.574 -17.296 8.685 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.411 -15.846 6.200 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.850 -17.547 6.484 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.040 -17.077 4.970 1.00 0.00 H new ATOM 1273 N PHE A 83 -0.264 -18.845 4.130 1.00 0.00 N ATOM 1274 CA PHE A 83 -0.072 -19.316 2.745 1.00 0.00 C ATOM 1275 C PHE A 83 -0.462 -18.257 1.688 1.00 0.00 C ATOM 1276 O PHE A 83 -0.842 -17.134 2.032 1.00 0.00 O ATOM 1277 CB PHE A 83 -0.801 -20.665 2.561 1.00 0.00 C ATOM 1278 CG PHE A 83 -2.297 -20.657 2.821 1.00 0.00 C ATOM 1279 CD1 PHE A 83 -3.180 -20.158 1.845 1.00 0.00 C ATOM 1280 CD2 PHE A 83 -2.820 -21.165 4.026 1.00 0.00 C ATOM 1281 CE1 PHE A 83 -4.567 -20.147 2.065 1.00 0.00 C ATOM 1282 CE2 PHE A 83 -4.204 -21.123 4.261 1.00 0.00 C ATOM 1283 CZ PHE A 83 -5.081 -20.633 3.278 1.00 0.00 C ATOM 0 H PHE A 83 -1.083 -18.246 4.235 1.00 0.00 H new ATOM 0 HA PHE A 83 0.992 -19.479 2.576 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -0.632 -21.010 1.541 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.341 -21.397 3.225 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -2.785 -19.778 0.914 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -2.158 -21.586 4.768 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -5.234 -19.767 1.306 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -4.598 -21.470 5.205 1.00 0.00 H new ATOM 0 HZ PHE A 83 -6.146 -20.630 3.455 1.00 0.00 H new ATOM 1293 N LYS A 84 -0.354 -18.591 0.392 1.00 0.00 N ATOM 1294 CA LYS A 84 -0.710 -17.718 -0.749 1.00 0.00 C ATOM 1295 C LYS A 84 -2.103 -18.054 -1.329 1.00 0.00 C ATOM 1296 O LYS A 84 -2.447 -19.235 -1.414 1.00 0.00 O ATOM 1297 CB LYS A 84 0.397 -17.762 -1.823 1.00 0.00 C ATOM 1298 CG LYS A 84 0.549 -19.115 -2.541 1.00 0.00 C ATOM 1299 CD LYS A 84 1.672 -19.063 -3.585 1.00 0.00 C ATOM 1300 CE LYS A 84 1.771 -20.409 -4.315 1.00 0.00 C ATOM 1301 NZ LYS A 84 2.829 -20.389 -5.359 1.00 0.00 N ATOM 0 H LYS A 84 -0.006 -19.503 0.095 1.00 0.00 H new ATOM 0 HA LYS A 84 -0.780 -16.694 -0.381 1.00 0.00 H new ATOM 0 HB2 LYS A 84 0.192 -16.993 -2.568 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.348 -17.507 -1.355 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.763 -19.896 -1.811 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.390 -19.381 -3.026 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.477 -18.265 -4.301 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.620 -18.832 -3.100 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.984 -21.199 -3.595 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.811 -20.646 -4.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.868 -21.315 -5.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.612 -19.651 -6.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.749 -20.187 -4.917 1.00 0.00 H new ATOM 1315 N PRO A 85 -2.911 -17.058 -1.740 1.00 0.00 N ATOM 1316 CA PRO A 85 -4.283 -17.283 -2.200 1.00 0.00 C ATOM 1317 C PRO A 85 -4.317 -17.985 -3.570 1.00 0.00 C ATOM 1318 O PRO A 85 -3.770 -17.478 -4.553 1.00 0.00 O ATOM 1319 CB PRO A 85 -4.938 -15.899 -2.222 1.00 0.00 C ATOM 1320 CG PRO A 85 -3.769 -14.936 -2.436 1.00 0.00 C ATOM 1321 CD PRO A 85 -2.577 -15.641 -1.784 1.00 0.00 C ATOM 0 HA PRO A 85 -4.829 -17.957 -1.539 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -5.673 -15.818 -3.023 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -5.460 -15.690 -1.288 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -3.592 -14.753 -3.496 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -3.961 -13.968 -1.973 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -1.666 -15.474 -2.358 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -2.397 -15.253 -0.781 1.00 0.00 H new ATOM 1329 N ASN A 86 -4.949 -19.162 -3.634 1.00 0.00 N ATOM 1330 CA ASN A 86 -5.077 -19.982 -4.847 1.00 0.00 C ATOM 1331 C ASN A 86 -6.445 -20.695 -4.922 1.00 0.00 C ATOM 1332 O ASN A 86 -7.250 -20.398 -5.808 1.00 0.00 O ATOM 1333 CB ASN A 86 -3.885 -20.957 -4.908 1.00 0.00 C ATOM 1334 CG ASN A 86 -3.913 -21.813 -6.164 1.00 0.00 C ATOM 1335 OD1 ASN A 86 -4.440 -22.916 -6.182 1.00 0.00 O ATOM 1336 ND2 ASN A 86 -3.364 -21.331 -7.256 1.00 0.00 N ATOM 0 H ASN A 86 -5.399 -19.584 -2.821 1.00 0.00 H new ATOM 0 HA ASN A 86 -5.047 -19.341 -5.728 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -2.953 -20.393 -4.875 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -3.899 -21.602 -4.029 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -3.378 -21.877 -8.118 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -2.924 -20.411 -7.242 1.00 0.00 H new ATOM 1405 N GLY A 91 -10.119 -24.059 0.208 1.00 0.00 N ATOM 1406 CA GLY A 91 -9.205 -23.012 0.698 1.00 0.00 C ATOM 1407 C GLY A 91 -8.939 -23.048 2.211 1.00 0.00 C ATOM 1408 O GLY A 91 -8.645 -22.015 2.815 1.00 0.00 O ATOM 0 HA2 GLY A 91 -8.254 -23.105 0.173 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.619 -22.037 0.439 1.00 0.00 H new ATOM 1412 N VAL A 92 -9.092 -24.219 2.833 1.00 0.00 N ATOM 1413 CA VAL A 92 -8.803 -24.487 4.251 1.00 0.00 C ATOM 1414 C VAL A 92 -7.310 -24.340 4.590 1.00 0.00 C ATOM 1415 O VAL A 92 -6.441 -24.481 3.724 1.00 0.00 O ATOM 1416 CB VAL A 92 -9.303 -25.886 4.662 1.00 0.00 C ATOM 1417 CG1 VAL A 92 -10.833 -25.935 4.740 1.00 0.00 C ATOM 1418 CG2 VAL A 92 -8.857 -26.990 3.697 1.00 0.00 C ATOM 0 H VAL A 92 -9.436 -25.045 2.344 1.00 0.00 H new ATOM 0 HA VAL A 92 -9.343 -23.732 4.822 1.00 0.00 H new ATOM 0 HB VAL A 92 -8.860 -26.066 5.641 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -11.151 -26.936 5.032 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -11.183 -25.213 5.478 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -11.255 -25.691 3.765 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -9.240 -27.951 4.041 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -9.245 -26.780 2.700 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -7.768 -27.025 3.663 1.00 0.00 H new ATOM 1428 N CYS A 93 -7.015 -24.080 5.866 1.00 0.00 N ATOM 1429 CA CYS A 93 -5.664 -23.959 6.414 1.00 0.00 C ATOM 1430 C CYS A 93 -4.927 -25.317 6.435 1.00 0.00 C ATOM 1431 O CYS A 93 -5.531 -26.395 6.505 1.00 0.00 O ATOM 1432 CB CYS A 93 -5.787 -23.204 7.754 1.00 0.00 C ATOM 1433 SG CYS A 93 -4.406 -23.425 8.929 1.00 0.00 S ATOM 0 H CYS A 93 -7.739 -23.943 6.572 1.00 0.00 H new ATOM 0 HA CYS A 93 -5.005 -23.368 5.778 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -5.889 -22.140 7.540 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -6.708 -23.521 8.243 1.00 0.00 H new ATOM 0 HG CYS A 93 -3.999 -22.262 9.344 1.00 0.00 H new ATOM 1438 N GLU A 94 -3.600 -25.268 6.282 1.00 0.00 N ATOM 1439 CA GLU A 94 -2.763 -26.469 6.152 1.00 0.00 C ATOM 1440 C GLU A 94 -2.673 -27.267 7.460 1.00 0.00 C ATOM 1441 O GLU A 94 -2.596 -28.499 7.439 1.00 0.00 O ATOM 1442 CB GLU A 94 -1.349 -26.125 5.664 1.00 0.00 C ATOM 1443 CG GLU A 94 -1.387 -25.465 4.279 1.00 0.00 C ATOM 1444 CD GLU A 94 -0.038 -25.487 3.520 1.00 0.00 C ATOM 1445 OE1 GLU A 94 0.994 -25.978 4.044 1.00 0.00 O ATOM 1446 OE2 GLU A 94 -0.011 -25.048 2.342 1.00 0.00 O ATOM 0 H GLU A 94 -3.074 -24.395 6.245 1.00 0.00 H new ATOM 0 HA GLU A 94 -3.255 -27.094 5.406 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -0.868 -25.455 6.376 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -0.745 -27.031 5.622 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.139 -25.968 3.671 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -1.709 -24.430 4.393 1.00 0.00 H new ATOM 1453 N LYS A 95 -2.700 -26.562 8.598 1.00 0.00 N ATOM 1454 CA LYS A 95 -2.760 -27.149 9.945 1.00 0.00 C ATOM 1455 C LYS A 95 -4.184 -27.535 10.349 1.00 0.00 C ATOM 1456 O LYS A 95 -4.426 -28.688 10.712 1.00 0.00 O ATOM 1457 CB LYS A 95 -2.193 -26.179 10.985 1.00 0.00 C ATOM 1458 CG LYS A 95 -0.705 -25.880 10.766 1.00 0.00 C ATOM 1459 CD LYS A 95 -0.138 -25.119 11.966 1.00 0.00 C ATOM 1460 CE LYS A 95 0.069 -26.064 13.163 1.00 0.00 C ATOM 1461 NZ LYS A 95 0.643 -25.368 14.343 1.00 0.00 N ATOM 0 H LYS A 95 -2.680 -25.542 8.609 1.00 0.00 H new ATOM 0 HA LYS A 95 -2.156 -28.056 9.913 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.756 -25.246 10.951 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -2.332 -26.599 11.981 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -0.156 -26.811 10.624 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -0.574 -25.291 9.858 1.00 0.00 H new ATOM 0 HD2 LYS A 95 0.811 -24.656 11.694 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -0.817 -24.314 12.246 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -0.886 -26.512 13.438 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.730 -26.879 12.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.763 -26.047 15.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 1.567 -24.963 14.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 0.001 -24.607 14.643 1.00 0.00 H new ATOM 1475 N CYS A 96 -5.099 -26.562 10.317 1.00 0.00 N ATOM 1476 CA CYS A 96 -6.479 -26.680 10.792 1.00 0.00 C ATOM 1477 C CYS A 96 -7.489 -26.591 9.623 1.00 0.00 C ATOM 1478 O CYS A 96 -7.409 -25.708 8.774 1.00 0.00 O ATOM 1479 CB CYS A 96 -6.699 -25.699 11.966 1.00 0.00 C ATOM 1480 SG CYS A 96 -6.913 -23.966 11.512 1.00 0.00 S ATOM 0 H CYS A 96 -4.890 -25.635 9.945 1.00 0.00 H new ATOM 0 HA CYS A 96 -6.668 -27.672 11.203 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -7.579 -26.020 12.523 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -5.848 -25.775 12.643 1.00 0.00 H new ATOM 0 HG CYS A 96 -6.102 -23.669 10.540 1.00 0.00 H new ATOM 1485 N HIS A 97 -8.413 -27.552 9.516 1.00 0.00 N ATOM 1486 CA HIS A 97 -9.264 -27.714 8.323 1.00 0.00 C ATOM 1487 C HIS A 97 -10.464 -26.739 8.282 1.00 0.00 C ATOM 1488 O HIS A 97 -11.624 -27.144 8.156 1.00 0.00 O ATOM 1489 CB HIS A 97 -9.689 -29.179 8.165 1.00 0.00 C ATOM 1490 CG HIS A 97 -8.554 -30.173 8.241 1.00 0.00 C ATOM 1491 ND1 HIS A 97 -8.492 -31.265 9.080 1.00 0.00 N ATOM 1492 CD2 HIS A 97 -7.408 -30.158 7.491 1.00 0.00 C ATOM 1493 CE1 HIS A 97 -7.330 -31.900 8.844 1.00 0.00 C ATOM 1494 NE2 HIS A 97 -6.637 -31.262 7.881 1.00 0.00 N ATOM 0 H HIS A 97 -8.595 -28.239 10.248 1.00 0.00 H new ATOM 0 HA HIS A 97 -8.659 -27.441 7.459 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -10.417 -29.418 8.940 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -10.194 -29.296 7.206 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -7.146 -29.430 6.738 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -7.000 -32.793 9.353 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -5.727 -31.530 7.508 1.00 0.00 H new ATOM 1502 N SER A 98 -10.173 -25.440 8.357 1.00 0.00 N ATOM 1503 CA SER A 98 -11.115 -24.316 8.285 1.00 0.00 C ATOM 1504 C SER A 98 -10.547 -23.216 7.382 1.00 0.00 C ATOM 1505 O SER A 98 -9.332 -23.050 7.279 1.00 0.00 O ATOM 1506 CB SER A 98 -11.383 -23.762 9.691 1.00 0.00 C ATOM 1507 OG SER A 98 -12.118 -24.695 10.470 1.00 0.00 O ATOM 0 H SER A 98 -9.212 -25.121 8.477 1.00 0.00 H new ATOM 0 HA SER A 98 -12.056 -24.668 7.863 1.00 0.00 H new ATOM 0 HB2 SER A 98 -10.437 -23.535 10.184 1.00 0.00 H new ATOM 0 HB3 SER A 98 -11.937 -22.826 9.618 1.00 0.00 H new ATOM 0 HG SER A 98 -12.276 -24.323 11.363 1.00 0.00 H new ATOM 1513 N LYS A 99 -11.424 -22.462 6.706 1.00 0.00 N ATOM 1514 CA LYS A 99 -11.080 -21.453 5.675 1.00 0.00 C ATOM 1515 C LYS A 99 -11.235 -20.003 6.167 1.00 0.00 C ATOM 1516 O LYS A 99 -11.445 -19.075 5.390 1.00 0.00 O ATOM 1517 CB LYS A 99 -11.810 -21.799 4.361 1.00 0.00 C ATOM 1518 CG LYS A 99 -13.343 -21.662 4.418 1.00 0.00 C ATOM 1519 CD LYS A 99 -14.052 -22.465 3.314 1.00 0.00 C ATOM 1520 CE LYS A 99 -14.024 -23.972 3.617 1.00 0.00 C ATOM 1521 NZ LYS A 99 -14.817 -24.752 2.631 1.00 0.00 N ATOM 0 H LYS A 99 -12.429 -22.534 6.862 1.00 0.00 H new ATOM 0 HA LYS A 99 -10.013 -21.503 5.459 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -11.431 -21.152 3.570 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -11.561 -22.823 4.082 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -13.698 -21.999 5.392 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -13.613 -20.610 4.327 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -15.085 -22.129 3.223 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -13.569 -22.275 2.355 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -12.992 -24.324 3.612 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -14.416 -24.148 4.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -14.772 -25.763 2.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -15.807 -24.435 2.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -14.427 -24.605 1.678 1.00 0.00 H new ATOM 1535 N ASN A 100 -11.112 -19.824 7.484 1.00 0.00 N ATOM 1536 CA ASN A 100 -11.205 -18.574 8.255 1.00 0.00 C ATOM 1537 C ASN A 100 -10.065 -17.552 8.019 1.00 0.00 C ATOM 1538 O ASN A 100 -10.016 -16.533 8.709 1.00 0.00 O ATOM 1539 CB ASN A 100 -11.276 -18.965 9.746 1.00 0.00 C ATOM 1540 CG ASN A 100 -10.042 -19.725 10.215 1.00 0.00 C ATOM 1541 OD1 ASN A 100 -10.065 -20.934 10.366 1.00 0.00 O ATOM 1542 ND2 ASN A 100 -8.926 -19.057 10.408 1.00 0.00 N ATOM 0 H ASN A 100 -10.928 -20.619 8.096 1.00 0.00 H new ATOM 0 HA ASN A 100 -12.097 -18.049 7.912 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -11.393 -18.064 10.348 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -12.161 -19.578 9.915 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -8.077 -19.551 10.685 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -8.909 -18.045 10.281 1.00 0.00 H new ATOM 1549 N VAL A 101 -9.103 -17.842 7.140 1.00 0.00 N ATOM 1550 CA VAL A 101 -7.908 -17.019 6.882 1.00 0.00 C ATOM 1551 C VAL A 101 -8.221 -15.561 6.514 1.00 0.00 C ATOM 1552 O VAL A 101 -9.241 -15.266 5.883 1.00 0.00 O ATOM 1553 CB VAL A 101 -7.024 -17.647 5.784 1.00 0.00 C ATOM 1554 CG1 VAL A 101 -6.363 -18.936 6.278 1.00 0.00 C ATOM 1555 CG2 VAL A 101 -7.778 -17.976 4.486 1.00 0.00 C ATOM 0 H VAL A 101 -9.131 -18.685 6.566 1.00 0.00 H new ATOM 0 HA VAL A 101 -7.369 -16.999 7.829 1.00 0.00 H new ATOM 0 HB VAL A 101 -6.280 -16.882 5.561 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -5.746 -19.356 5.484 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -5.739 -18.716 7.144 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -7.133 -19.655 6.559 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -7.087 -18.414 3.765 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -8.578 -18.685 4.699 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -8.205 -17.063 4.072 1.00 0.00 H new ATOM 1565 N ILE A 102 -7.309 -14.651 6.869 1.00 0.00 N ATOM 1566 CA ILE A 102 -7.358 -13.215 6.550 1.00 0.00 C ATOM 1567 C ILE A 102 -6.051 -12.718 5.919 1.00 0.00 C ATOM 1568 O ILE A 102 -4.978 -13.287 6.126 1.00 0.00 O ATOM 1569 CB ILE A 102 -7.736 -12.355 7.778 1.00 0.00 C ATOM 1570 CG1 ILE A 102 -6.717 -12.397 8.941 1.00 0.00 C ATOM 1571 CG2 ILE A 102 -9.176 -12.643 8.239 1.00 0.00 C ATOM 1572 CD1 ILE A 102 -6.792 -13.600 9.895 1.00 0.00 C ATOM 0 H ILE A 102 -6.481 -14.902 7.409 1.00 0.00 H new ATOM 0 HA ILE A 102 -8.149 -13.097 5.810 1.00 0.00 H new ATOM 0 HB ILE A 102 -7.693 -11.322 7.433 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -5.715 -12.366 8.514 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -6.840 -11.489 9.531 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -9.412 -12.023 9.104 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -9.870 -12.416 7.429 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -9.268 -13.695 8.511 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -6.024 -13.504 10.662 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -7.774 -13.630 10.367 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -6.631 -14.520 9.333 1.00 0.00 H new ATOM 1584 N ILE A 103 -6.138 -11.645 5.129 1.00 0.00 N ATOM 1585 CA ILE A 103 -5.023 -11.106 4.346 1.00 0.00 C ATOM 1586 C ILE A 103 -4.104 -10.302 5.276 1.00 0.00 C ATOM 1587 O ILE A 103 -4.471 -9.224 5.747 1.00 0.00 O ATOM 1588 CB ILE A 103 -5.555 -10.268 3.166 1.00 0.00 C ATOM 1589 CG1 ILE A 103 -6.536 -11.049 2.257 1.00 0.00 C ATOM 1590 CG2 ILE A 103 -4.383 -9.776 2.305 1.00 0.00 C ATOM 1591 CD1 ILE A 103 -7.629 -10.129 1.711 1.00 0.00 C ATOM 0 H ILE A 103 -7.002 -11.116 5.013 1.00 0.00 H new ATOM 0 HA ILE A 103 -4.436 -11.915 3.912 1.00 0.00 H new ATOM 0 HB ILE A 103 -6.100 -9.433 3.605 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -5.989 -11.501 1.429 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -6.990 -11.864 2.821 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -4.766 -9.185 1.473 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -3.719 -9.161 2.912 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -3.831 -10.633 1.918 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -8.304 -10.703 1.076 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -8.190 -9.698 2.540 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -7.173 -9.329 1.127 1.00 0.00 H new ATOM 1603 N THR A 104 -2.919 -10.838 5.572 1.00 0.00 N ATOM 1604 CA THR A 104 -1.951 -10.258 6.524 1.00 0.00 C ATOM 1605 C THR A 104 -1.014 -9.229 5.865 1.00 0.00 C ATOM 1606 O THR A 104 -0.268 -8.512 6.535 1.00 0.00 O ATOM 1607 CB THR A 104 -1.174 -11.391 7.219 1.00 0.00 C ATOM 1608 OG1 THR A 104 -0.530 -10.940 8.387 1.00 0.00 O ATOM 1609 CG2 THR A 104 -0.143 -12.112 6.353 1.00 0.00 C ATOM 0 H THR A 104 -2.591 -11.707 5.151 1.00 0.00 H new ATOM 0 HA THR A 104 -2.506 -9.699 7.278 1.00 0.00 H new ATOM 0 HB THR A 104 -1.953 -12.116 7.453 1.00 0.00 H new ATOM 0 HG1 THR A 104 -1.101 -11.115 9.164 1.00 0.00 H new ATOM 0 HG21 THR A 104 0.345 -12.890 6.940 1.00 0.00 H new ATOM 0 HG22 THR A 104 -0.641 -12.564 5.495 1.00 0.00 H new ATOM 0 HG23 THR A 104 0.603 -11.398 6.005 1.00 0.00 H new ATOM 1617 N GLN A 105 -1.058 -9.145 4.532 1.00 0.00 N ATOM 1618 CA GLN A 105 -0.140 -8.412 3.667 1.00 0.00 C ATOM 1619 C GLN A 105 -0.863 -8.132 2.346 1.00 0.00 C ATOM 1620 O GLN A 105 -1.384 -9.059 1.727 1.00 0.00 O ATOM 1621 CB GLN A 105 1.113 -9.292 3.469 1.00 0.00 C ATOM 1622 CG GLN A 105 2.008 -8.938 2.276 1.00 0.00 C ATOM 1623 CD GLN A 105 2.433 -7.471 2.228 1.00 0.00 C ATOM 1624 OE1 GLN A 105 2.869 -6.876 3.204 1.00 0.00 O ATOM 1625 NE2 GLN A 105 2.285 -6.819 1.096 1.00 0.00 N ATOM 0 H GLN A 105 -1.785 -9.620 3.997 1.00 0.00 H new ATOM 0 HA GLN A 105 0.171 -7.458 4.093 1.00 0.00 H new ATOM 0 HB2 GLN A 105 1.715 -9.240 4.376 1.00 0.00 H new ATOM 0 HB3 GLN A 105 0.790 -10.327 3.360 1.00 0.00 H new ATOM 0 HG2 GLN A 105 2.901 -9.563 2.307 1.00 0.00 H new ATOM 0 HG3 GLN A 105 1.480 -9.182 1.354 1.00 0.00 H new ATOM 0 HE21 GLN A 105 1.923 -7.301 0.273 1.00 0.00 H new ATOM 0 HE22 GLN A 105 2.533 -5.831 1.040 1.00 0.00 H new ATOM 1634 N GLY A 106 -0.911 -6.870 1.916 1.00 0.00 N ATOM 1635 CA GLY A 106 -1.464 -6.476 0.616 1.00 0.00 C ATOM 1636 C GLY A 106 -2.997 -6.452 0.543 1.00 0.00 C ATOM 1637 O GLY A 106 -3.563 -6.468 -0.551 1.00 0.00 O ATOM 0 H GLY A 106 -0.564 -6.084 2.465 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -1.088 -5.485 0.364 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -1.090 -7.162 -0.144 1.00 0.00 H new ATOM 1641 N ASN A 107 -3.670 -6.416 1.700 1.00 0.00 N ATOM 1642 CA ASN A 107 -5.128 -6.302 1.832 1.00 0.00 C ATOM 1643 C ASN A 107 -5.663 -5.007 1.182 1.00 0.00 C ATOM 1644 O ASN A 107 -6.714 -5.001 0.539 1.00 0.00 O ATOM 1645 CB ASN A 107 -5.451 -6.370 3.340 1.00 0.00 C ATOM 1646 CG ASN A 107 -6.915 -6.620 3.676 1.00 0.00 C ATOM 1647 OD1 ASN A 107 -7.805 -6.662 2.840 1.00 0.00 O ATOM 1648 ND2 ASN A 107 -7.208 -6.825 4.939 1.00 0.00 N ATOM 0 H ASN A 107 -3.197 -6.467 2.602 1.00 0.00 H new ATOM 0 HA ASN A 107 -5.624 -7.116 1.303 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -4.851 -7.161 3.789 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -5.142 -5.433 3.805 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -8.171 -7.017 5.214 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -6.473 -6.792 5.645 1.00 0.00 H new ATOM 1655 N GLU A 108 -4.911 -3.912 1.325 1.00 0.00 N ATOM 1656 CA GLU A 108 -5.191 -2.599 0.737 1.00 0.00 C ATOM 1657 C GLU A 108 -3.904 -1.819 0.404 1.00 0.00 C ATOM 1658 O GLU A 108 -2.806 -2.167 0.851 1.00 0.00 O ATOM 1659 CB GLU A 108 -6.106 -1.807 1.690 1.00 0.00 C ATOM 1660 CG GLU A 108 -5.488 -1.491 3.062 1.00 0.00 C ATOM 1661 CD GLU A 108 -6.513 -0.789 3.975 1.00 0.00 C ATOM 1662 OE1 GLU A 108 -6.695 0.447 3.861 1.00 0.00 O ATOM 1663 OE2 GLU A 108 -7.145 -1.470 4.821 1.00 0.00 O ATOM 0 H GLU A 108 -4.054 -3.917 1.877 1.00 0.00 H new ATOM 0 HA GLU A 108 -5.702 -2.746 -0.214 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -6.385 -0.870 1.208 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -7.025 -2.373 1.843 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -5.146 -2.413 3.533 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -4.612 -0.855 2.934 1.00 0.00 H new ATOM 1670 N MET A 109 -4.044 -0.744 -0.376 1.00 0.00 N ATOM 1671 CA MET A 109 -2.973 0.203 -0.712 1.00 0.00 C ATOM 1672 C MET A 109 -2.555 1.072 0.487 1.00 0.00 C ATOM 1673 O MET A 109 -3.369 1.383 1.361 1.00 0.00 O ATOM 1674 CB MET A 109 -3.459 1.040 -1.908 1.00 0.00 C ATOM 1675 CG MET A 109 -2.685 2.308 -2.275 1.00 0.00 C ATOM 1676 SD MET A 109 -3.030 3.778 -1.274 1.00 0.00 S ATOM 1677 CE MET A 109 -2.931 4.997 -2.603 1.00 0.00 C ATOM 0 H MET A 109 -4.936 -0.499 -0.807 1.00 0.00 H new ATOM 0 HA MET A 109 -2.067 -0.340 -0.982 1.00 0.00 H new ATOM 0 HB2 MET A 109 -3.468 0.392 -2.784 1.00 0.00 H new ATOM 0 HB3 MET A 109 -4.492 1.327 -1.713 1.00 0.00 H new ATOM 0 HG2 MET A 109 -1.619 2.090 -2.206 1.00 0.00 H new ATOM 0 HG3 MET A 109 -2.895 2.547 -3.318 1.00 0.00 H new ATOM 0 HE1 MET A 109 -2.654 5.966 -2.188 1.00 0.00 H new ATOM 0 HE2 MET A 109 -2.179 4.685 -3.328 1.00 0.00 H new ATOM 0 HE3 MET A 109 -3.900 5.077 -3.096 1.00 0.00 H new ATOM 1687 N ARG A 110 -1.282 1.493 0.502 1.00 0.00 N ATOM 1688 CA ARG A 110 -0.707 2.463 1.454 1.00 0.00 C ATOM 1689 C ARG A 110 0.515 3.181 0.874 1.00 0.00 C ATOM 1690 O ARG A 110 1.212 2.626 0.024 1.00 0.00 O ATOM 1691 CB ARG A 110 -0.346 1.750 2.776 1.00 0.00 C ATOM 1692 CG ARG A 110 0.669 0.601 2.620 1.00 0.00 C ATOM 1693 CD ARG A 110 0.900 -0.107 3.959 1.00 0.00 C ATOM 1694 NE ARG A 110 1.806 -1.264 3.806 1.00 0.00 N ATOM 1695 CZ ARG A 110 2.016 -2.235 4.678 1.00 0.00 C ATOM 1696 NH1 ARG A 110 1.440 -2.256 5.847 1.00 0.00 N ATOM 1697 NH2 ARG A 110 2.818 -3.219 4.388 1.00 0.00 N ATOM 0 H ARG A 110 -0.596 1.156 -0.173 1.00 0.00 H new ATOM 0 HA ARG A 110 -1.460 3.226 1.651 1.00 0.00 H new ATOM 0 HB2 ARG A 110 0.058 2.484 3.473 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -1.258 1.355 3.223 1.00 0.00 H new ATOM 0 HG2 ARG A 110 0.304 -0.115 1.883 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.614 0.993 2.243 1.00 0.00 H new ATOM 0 HD2 ARG A 110 1.323 0.596 4.676 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -0.055 -0.441 4.365 1.00 0.00 H new ATOM 0 HE ARG A 110 2.327 -1.320 2.931 1.00 0.00 H new ATOM 0 HH11 ARG A 110 0.803 -1.506 6.115 1.00 0.00 H new ATOM 0 HH12 ARG A 110 1.627 -3.022 6.494 1.00 0.00 H new ATOM 0 HH21 ARG A 110 3.289 -3.244 3.483 1.00 0.00 H new ATOM 0 HH22 ARG A 110 2.976 -3.965 5.065 1.00 0.00 H new ATOM 1711 N LEU A 111 0.817 4.388 1.363 1.00 0.00 N ATOM 1712 CA LEU A 111 2.096 5.058 1.080 1.00 0.00 C ATOM 1713 C LEU A 111 3.278 4.266 1.664 1.00 0.00 C ATOM 1714 O LEU A 111 3.128 3.560 2.665 1.00 0.00 O ATOM 1715 CB LEU A 111 2.040 6.537 1.518 1.00 0.00 C ATOM 1716 CG LEU A 111 2.006 6.824 3.036 1.00 0.00 C ATOM 1717 CD1 LEU A 111 3.404 6.901 3.661 1.00 0.00 C ATOM 1718 CD2 LEU A 111 1.338 8.179 3.284 1.00 0.00 C ATOM 0 H LEU A 111 0.190 4.926 1.961 1.00 0.00 H new ATOM 0 HA LEU A 111 2.268 5.073 0.004 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.907 7.047 1.097 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.155 6.989 1.069 1.00 0.00 H new ATOM 0 HG LEU A 111 1.458 5.999 3.491 1.00 0.00 H new ATOM 0 HD11 LEU A 111 3.315 7.105 4.728 1.00 0.00 H new ATOM 0 HD12 LEU A 111 3.921 5.953 3.515 1.00 0.00 H new ATOM 0 HD13 LEU A 111 3.972 7.701 3.185 1.00 0.00 H new ATOM 0 HD21 LEU A 111 1.314 8.382 4.355 1.00 0.00 H new ATOM 0 HD22 LEU A 111 1.904 8.962 2.779 1.00 0.00 H new ATOM 0 HD23 LEU A 111 0.320 8.159 2.895 1.00 0.00 H new ATOM 1730 N LEU A 112 4.451 4.402 1.046 1.00 0.00 N ATOM 1731 CA LEU A 112 5.693 3.742 1.458 1.00 0.00 C ATOM 1732 C LEU A 112 6.721 4.781 1.938 1.00 0.00 C ATOM 1733 O LEU A 112 7.159 4.731 3.089 1.00 0.00 O ATOM 1734 CB LEU A 112 6.244 2.854 0.323 1.00 0.00 C ATOM 1735 CG LEU A 112 5.299 1.722 -0.127 1.00 0.00 C ATOM 1736 CD1 LEU A 112 5.918 0.975 -1.308 1.00 0.00 C ATOM 1737 CD2 LEU A 112 5.007 0.708 0.981 1.00 0.00 C ATOM 0 H LEU A 112 4.568 4.991 0.221 1.00 0.00 H new ATOM 0 HA LEU A 112 5.480 3.084 2.301 1.00 0.00 H new ATOM 0 HB2 LEU A 112 6.468 3.485 -0.537 1.00 0.00 H new ATOM 0 HB3 LEU A 112 7.186 2.414 0.650 1.00 0.00 H new ATOM 0 HG LEU A 112 4.358 2.197 -0.404 1.00 0.00 H new ATOM 0 HD11 LEU A 112 5.248 0.175 -1.624 1.00 0.00 H new ATOM 0 HD12 LEU A 112 6.073 1.667 -2.136 1.00 0.00 H new ATOM 0 HD13 LEU A 112 6.875 0.549 -1.008 1.00 0.00 H new ATOM 0 HD21 LEU A 112 4.337 -0.063 0.601 1.00 0.00 H new ATOM 0 HD22 LEU A 112 5.940 0.249 1.309 1.00 0.00 H new ATOM 0 HD23 LEU A 112 4.537 1.215 1.823 1.00 0.00 H new ATOM 1749 N SER A 113 7.068 5.741 1.071 1.00 0.00 N ATOM 1750 CA SER A 113 8.001 6.853 1.338 1.00 0.00 C ATOM 1751 C SER A 113 7.666 8.085 0.484 1.00 0.00 C ATOM 1752 O SER A 113 6.997 7.965 -0.543 1.00 0.00 O ATOM 1753 CB SER A 113 9.446 6.436 1.000 1.00 0.00 C ATOM 1754 OG SER A 113 9.868 5.279 1.709 1.00 0.00 O ATOM 0 H SER A 113 6.693 5.769 0.123 1.00 0.00 H new ATOM 0 HA SER A 113 7.905 7.098 2.396 1.00 0.00 H new ATOM 0 HB2 SER A 113 9.523 6.248 -0.071 1.00 0.00 H new ATOM 0 HB3 SER A 113 10.120 7.262 1.228 1.00 0.00 H new ATOM 0 HG SER A 113 10.789 5.058 1.456 1.00 0.00 H new ATOM 1760 N LEU A 114 8.206 9.257 0.840 1.00 0.00 N ATOM 1761 CA LEU A 114 8.318 10.419 -0.059 1.00 0.00 C ATOM 1762 C LEU A 114 9.797 10.762 -0.321 1.00 0.00 C ATOM 1763 O LEU A 114 10.702 10.267 0.353 1.00 0.00 O ATOM 1764 CB LEU A 114 7.582 11.665 0.485 1.00 0.00 C ATOM 1765 CG LEU A 114 6.199 11.481 1.138 1.00 0.00 C ATOM 1766 CD1 LEU A 114 5.694 12.829 1.655 1.00 0.00 C ATOM 1767 CD2 LEU A 114 5.162 10.949 0.156 1.00 0.00 C ATOM 0 H LEU A 114 8.583 9.430 1.772 1.00 0.00 H new ATOM 0 HA LEU A 114 7.836 10.136 -0.995 1.00 0.00 H new ATOM 0 HB2 LEU A 114 8.233 12.139 1.219 1.00 0.00 H new ATOM 0 HB3 LEU A 114 7.467 12.367 -0.340 1.00 0.00 H new ATOM 0 HG LEU A 114 6.324 10.760 1.946 1.00 0.00 H new ATOM 0 HD11 LEU A 114 4.715 12.698 2.117 1.00 0.00 H new ATOM 0 HD12 LEU A 114 6.394 13.221 2.393 1.00 0.00 H new ATOM 0 HD13 LEU A 114 5.612 13.530 0.824 1.00 0.00 H new ATOM 0 HD21 LEU A 114 4.204 10.836 0.664 1.00 0.00 H new ATOM 0 HD22 LEU A 114 5.053 11.649 -0.673 1.00 0.00 H new ATOM 0 HD23 LEU A 114 5.486 9.981 -0.226 1.00 0.00 H new ATOM 1779 N GLU A 115 10.033 11.662 -1.271 1.00 0.00 N ATOM 1780 CA GLU A 115 11.335 12.240 -1.616 1.00 0.00 C ATOM 1781 C GLU A 115 11.135 13.732 -1.922 1.00 0.00 C ATOM 1782 O GLU A 115 10.326 14.087 -2.780 1.00 0.00 O ATOM 1783 CB GLU A 115 11.903 11.467 -2.819 1.00 0.00 C ATOM 1784 CG GLU A 115 13.381 11.737 -3.114 1.00 0.00 C ATOM 1785 CD GLU A 115 13.912 10.813 -4.238 1.00 0.00 C ATOM 1786 OE1 GLU A 115 13.250 10.650 -5.295 1.00 0.00 O ATOM 1787 OE2 GLU A 115 15.004 10.218 -4.054 1.00 0.00 O ATOM 0 H GLU A 115 9.282 12.030 -1.855 1.00 0.00 H new ATOM 0 HA GLU A 115 12.049 12.158 -0.796 1.00 0.00 H new ATOM 0 HB2 GLU A 115 11.771 10.400 -2.643 1.00 0.00 H new ATOM 0 HB3 GLU A 115 11.318 11.718 -3.704 1.00 0.00 H new ATOM 0 HG2 GLU A 115 13.511 12.779 -3.406 1.00 0.00 H new ATOM 0 HG3 GLU A 115 13.968 11.585 -2.208 1.00 0.00 H new ATOM 1794 N MET A 116 11.821 14.627 -1.207 1.00 0.00 N ATOM 1795 CA MET A 116 11.698 16.083 -1.377 1.00 0.00 C ATOM 1796 C MET A 116 13.078 16.753 -1.394 1.00 0.00 C ATOM 1797 O MET A 116 13.821 16.741 -0.410 1.00 0.00 O ATOM 1798 CB MET A 116 10.718 16.689 -0.357 1.00 0.00 C ATOM 1799 CG MET A 116 11.028 16.348 1.105 1.00 0.00 C ATOM 1800 SD MET A 116 9.995 17.187 2.340 1.00 0.00 S ATOM 1801 CE MET A 116 8.345 16.561 1.933 1.00 0.00 C ATOM 0 H MET A 116 12.488 14.360 -0.483 1.00 0.00 H new ATOM 0 HA MET A 116 11.257 16.286 -2.353 1.00 0.00 H new ATOM 0 HB2 MET A 116 10.719 17.773 -0.472 1.00 0.00 H new ATOM 0 HB3 MET A 116 9.711 16.344 -0.591 1.00 0.00 H new ATOM 0 HG2 MET A 116 10.922 15.272 1.239 1.00 0.00 H new ATOM 0 HG3 MET A 116 12.072 16.592 1.303 1.00 0.00 H new ATOM 0 HE1 MET A 116 7.662 16.773 2.756 1.00 0.00 H new ATOM 0 HE2 MET A 116 7.984 17.048 1.027 1.00 0.00 H new ATOM 0 HE3 MET A 116 8.394 15.484 1.771 1.00 0.00 H new ATOM 1811 N LEU A 117 13.445 17.272 -2.567 1.00 0.00 N ATOM 1812 CA LEU A 117 14.748 17.877 -2.846 1.00 0.00 C ATOM 1813 C LEU A 117 14.936 19.224 -2.119 1.00 0.00 C ATOM 1814 O LEU A 117 13.963 19.883 -1.742 1.00 0.00 O ATOM 1815 CB LEU A 117 14.933 17.938 -4.382 1.00 0.00 C ATOM 1816 CG LEU A 117 14.234 19.084 -5.146 1.00 0.00 C ATOM 1817 CD1 LEU A 117 15.071 20.371 -5.174 1.00 0.00 C ATOM 1818 CD2 LEU A 117 14.018 18.660 -6.601 1.00 0.00 C ATOM 0 H LEU A 117 12.823 17.283 -3.375 1.00 0.00 H new ATOM 0 HA LEU A 117 15.549 17.260 -2.439 1.00 0.00 H new ATOM 0 HB2 LEU A 117 16.001 18.000 -4.589 1.00 0.00 H new ATOM 0 HB3 LEU A 117 14.582 16.994 -4.799 1.00 0.00 H new ATOM 0 HG LEU A 117 13.296 19.282 -4.627 1.00 0.00 H new ATOM 0 HD11 LEU A 117 14.533 21.143 -5.723 1.00 0.00 H new ATOM 0 HD12 LEU A 117 15.251 20.710 -4.154 1.00 0.00 H new ATOM 0 HD13 LEU A 117 16.024 20.174 -5.665 1.00 0.00 H new ATOM 0 HD21 LEU A 117 13.525 19.465 -7.145 1.00 0.00 H new ATOM 0 HD22 LEU A 117 14.981 18.446 -7.064 1.00 0.00 H new ATOM 0 HD23 LEU A 117 13.394 17.767 -6.631 1.00 0.00 H new