USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 614 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 61 CYS SG : rot -151:sc= 0.99 USER MOD Set 1.2: A 63 HIS : no HD1:sc= -0.0653 X(o=-3.2,f=-3.3) USER MOD Set 1.3: A 85 CYS SG : rot 48:sc= -1.59 USER MOD Set 1.4: A 88 CYS SG : rot -134:sc= 0.725 USER MOD Set 1.5: A 90 THR OG1 : rot 101:sc= 0.172 USER MOD Set 1.6: A 92 TYR OH : rot -25:sc= -3.43! USER MOD Set 2.1: A 28 CYS SG : rot 130:sc= 1.47 USER MOD Set 2.2: A 31 CYS SG : rot -57:sc= -0.0785 USER MOD Set 2.3: A 39 SER OG : rot 66:sc= 2 USER MOD Set 2.4: A 66 HIS : no HE2:sc= -3.46! C(o=0.44!,f=-6!) USER MOD Set 2.5: A 69 CYS SG : rot 15:sc= 0.508 USER MOD Single : A 11 GLN : amide:sc= -0.0494 X(o=-0.049,f=0) USER MOD Single : A 15 LYS NZ :NH3+ -131:sc= 0.0422 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -72:sc= 0.932 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 151:sc= -0.37 (180deg=-1.37!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc=-0.00357 USER MOD Single : A 44 MET CE :methyl -172:sc= -0.614 (180deg=-0.932) USER MOD Single : A 45 THR OG1 : rot -130:sc= -0.122 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -113:sc= -2.89! (180deg=-4.46!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl -155:sc= -0.403 (180deg=-1.67!) USER MOD Single : A 74 TYR OH : rot 144:sc= 0.108 USER MOD Single : A 75 CYS SG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 35:sc= 0.0451 USER MOD Single : A 84 GLN : amide:sc= -1.11 X(o=-1.1,f=-0.82) USER MOD Single : A 87 SER OG : rot 180:sc= -0.208 USER MOD Single : A 89 LYS NZ :NH3+ 162:sc= -0.0405 (180deg=-0.362) USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 -3.627 8.184 -1.094 1.00 0.00 N ATOM 67 CA GLU A 8 -2.652 7.585 -1.997 1.00 0.00 C ATOM 68 C GLU A 8 -2.841 6.073 -2.076 1.00 0.00 C ATOM 69 O GLU A 8 -3.403 5.444 -1.179 1.00 0.00 O ATOM 70 CB GLU A 8 -1.230 7.909 -1.535 1.00 0.00 C ATOM 71 CG GLU A 8 -0.769 9.306 -1.917 1.00 0.00 C ATOM 72 CD GLU A 8 -0.822 9.549 -3.413 1.00 0.00 C ATOM 73 OE1 GLU A 8 -1.882 9.986 -3.907 1.00 0.00 O ATOM 74 OE2 GLU A 8 0.198 9.301 -4.090 1.00 0.00 O ATOM 0 HA GLU A 8 -2.808 8.006 -2.990 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.176 7.801 -0.452 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.543 7.179 -1.963 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -1.394 10.042 -1.411 1.00 0.00 H new ATOM 0 HG3 GLU A 8 0.251 9.457 -1.564 1.00 0.00 H new ATOM 81 N PRO A 9 -2.360 5.473 -3.175 1.00 0.00 N ATOM 82 CA PRO A 9 -2.464 4.028 -3.398 1.00 0.00 C ATOM 83 C PRO A 9 -1.571 3.230 -2.454 1.00 0.00 C ATOM 84 O PRO A 9 -1.866 2.080 -2.130 1.00 0.00 O ATOM 85 CB PRO A 9 -1.997 3.858 -4.846 1.00 0.00 C ATOM 86 CG PRO A 9 -1.112 5.029 -5.099 1.00 0.00 C ATOM 87 CD PRO A 9 -1.678 6.160 -4.285 1.00 0.00 C ATOM 0 HA PRO A 9 -3.473 3.659 -3.215 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -1.460 2.919 -4.981 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -2.841 3.844 -5.535 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -0.085 4.813 -4.805 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.094 5.282 -6.159 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -0.895 6.827 -3.924 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.370 6.767 -4.868 1.00 0.00 H new ATOM 95 N GLU A 10 -0.479 3.849 -2.016 1.00 0.00 N ATOM 96 CA GLU A 10 0.457 3.194 -1.109 1.00 0.00 C ATOM 97 C GLU A 10 -0.260 2.686 0.139 1.00 0.00 C ATOM 98 O GLU A 10 -0.139 1.517 0.503 1.00 0.00 O ATOM 99 CB GLU A 10 1.575 4.160 -0.710 1.00 0.00 C ATOM 100 CG GLU A 10 2.594 3.552 0.239 1.00 0.00 C ATOM 101 CD GLU A 10 3.308 4.596 1.075 1.00 0.00 C ATOM 102 OE1 GLU A 10 4.221 5.260 0.544 1.00 0.00 O ATOM 103 OE2 GLU A 10 2.951 4.748 2.263 1.00 0.00 O ATOM 0 H GLU A 10 -0.221 4.801 -2.274 1.00 0.00 H new ATOM 0 HA GLU A 10 0.892 2.341 -1.630 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.087 4.501 -1.610 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.134 5.040 -0.241 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.093 2.844 0.899 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.328 2.988 -0.335 1.00 0.00 H new ATOM 110 N GLN A 11 -1.007 3.574 0.788 1.00 0.00 N ATOM 111 CA GLN A 11 -1.742 3.215 1.995 1.00 0.00 C ATOM 112 C GLN A 11 -2.862 2.230 1.677 1.00 0.00 C ATOM 113 O GLN A 11 -3.056 1.244 2.389 1.00 0.00 O ATOM 114 CB GLN A 11 -2.321 4.468 2.655 1.00 0.00 C ATOM 115 CG GLN A 11 -3.169 5.313 1.718 1.00 0.00 C ATOM 116 CD GLN A 11 -3.657 6.593 2.368 1.00 0.00 C ATOM 117 OE1 GLN A 11 -4.562 6.574 3.203 1.00 0.00 O ATOM 118 NE2 GLN A 11 -3.058 7.716 1.988 1.00 0.00 N ATOM 0 H GLN A 11 -1.119 4.546 0.499 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.047 2.737 2.685 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -2.927 4.171 3.511 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.503 5.077 3.040 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.587 5.560 0.830 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.027 4.729 1.384 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -2.312 7.686 1.293 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.344 8.608 2.391 1.00 0.00 H new ATOM 127 N VAL A 12 -3.598 2.503 0.605 1.00 0.00 N ATOM 128 CA VAL A 12 -4.699 1.640 0.193 1.00 0.00 C ATOM 129 C VAL A 12 -4.277 0.175 0.192 1.00 0.00 C ATOM 130 O VAL A 12 -5.044 -0.702 0.590 1.00 0.00 O ATOM 131 CB VAL A 12 -5.212 2.016 -1.210 1.00 0.00 C ATOM 132 CG1 VAL A 12 -6.380 1.127 -1.608 1.00 0.00 C ATOM 133 CG2 VAL A 12 -5.609 3.484 -1.256 1.00 0.00 C ATOM 0 H VAL A 12 -3.452 3.315 0.006 1.00 0.00 H new ATOM 0 HA VAL A 12 -5.502 1.784 0.916 1.00 0.00 H new ATOM 0 HB VAL A 12 -4.406 1.858 -1.927 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.729 1.408 -2.602 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.058 0.086 -1.617 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.192 1.250 -0.891 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.969 3.732 -2.254 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.399 3.670 -0.529 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.744 4.103 -1.018 1.00 0.00 H new ATOM 143 N ILE A 13 -3.054 -0.083 -0.258 1.00 0.00 N ATOM 144 CA ILE A 13 -2.530 -1.442 -0.310 1.00 0.00 C ATOM 145 C ILE A 13 -2.276 -1.986 1.092 1.00 0.00 C ATOM 146 O ILE A 13 -2.824 -3.019 1.477 1.00 0.00 O ATOM 147 CB ILE A 13 -1.222 -1.511 -1.120 1.00 0.00 C ATOM 148 CG1 ILE A 13 -1.473 -1.090 -2.570 1.00 0.00 C ATOM 149 CG2 ILE A 13 -0.638 -2.915 -1.063 1.00 0.00 C ATOM 150 CD1 ILE A 13 -2.504 -1.942 -3.277 1.00 0.00 C ATOM 0 H ILE A 13 -2.407 0.631 -0.592 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.285 -2.053 -0.804 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.502 -0.821 -0.681 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.800 -0.050 -2.587 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.534 -1.138 -3.121 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.286 -2.948 -1.640 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.429 -3.180 -0.027 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.353 -3.624 -1.481 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.631 -1.586 -4.300 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.170 -2.979 -3.292 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.455 -1.875 -2.749 1.00 0.00 H new ATOM 162 N ARG A 14 -1.442 -1.283 1.852 1.00 0.00 N ATOM 163 CA ARG A 14 -1.115 -1.696 3.211 1.00 0.00 C ATOM 164 C ARG A 14 -2.373 -1.781 4.071 1.00 0.00 C ATOM 165 O ARG A 14 -2.405 -2.491 5.076 1.00 0.00 O ATOM 166 CB ARG A 14 -0.121 -0.716 3.839 1.00 0.00 C ATOM 167 CG ARG A 14 1.179 -0.587 3.062 1.00 0.00 C ATOM 168 CD ARG A 14 2.197 -1.627 3.502 1.00 0.00 C ATOM 169 NE ARG A 14 1.676 -2.986 3.386 1.00 0.00 N ATOM 170 CZ ARG A 14 1.121 -3.650 4.394 1.00 0.00 C ATOM 171 NH1 ARG A 14 1.016 -3.082 5.588 1.00 0.00 N ATOM 172 NH2 ARG A 14 0.670 -4.884 4.210 1.00 0.00 N ATOM 0 H ARG A 14 -0.981 -0.425 1.549 1.00 0.00 H new ATOM 0 HA ARG A 14 -0.660 -2.685 3.164 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.589 0.266 3.914 1.00 0.00 H new ATOM 0 HB3 ARG A 14 0.103 -1.040 4.855 1.00 0.00 H new ATOM 0 HG2 ARG A 14 0.980 -0.700 1.996 1.00 0.00 H new ATOM 0 HG3 ARG A 14 1.592 0.411 3.205 1.00 0.00 H new ATOM 0 HD2 ARG A 14 3.098 -1.531 2.896 1.00 0.00 H new ATOM 0 HD3 ARG A 14 2.486 -1.437 4.536 1.00 0.00 H new ATOM 0 HE ARG A 14 1.742 -3.451 2.481 1.00 0.00 H new ATOM 0 HH11 ARG A 14 1.362 -2.134 5.734 1.00 0.00 H new ATOM 0 HH12 ARG A 14 0.590 -3.594 6.360 1.00 0.00 H new ATOM 0 HH21 ARG A 14 0.749 -5.325 3.293 1.00 0.00 H new ATOM 0 HH22 ARG A 14 0.244 -5.392 4.985 1.00 0.00 H new ATOM 186 N LYS A 15 -3.409 -1.051 3.669 1.00 0.00 N ATOM 187 CA LYS A 15 -4.670 -1.044 4.400 1.00 0.00 C ATOM 188 C LYS A 15 -5.468 -2.314 4.122 1.00 0.00 C ATOM 189 O LYS A 15 -6.191 -2.807 4.988 1.00 0.00 O ATOM 190 CB LYS A 15 -5.498 0.185 4.018 1.00 0.00 C ATOM 191 CG LYS A 15 -6.703 0.409 4.915 1.00 0.00 C ATOM 192 CD LYS A 15 -7.957 -0.219 4.331 1.00 0.00 C ATOM 193 CE LYS A 15 -8.950 -0.597 5.420 1.00 0.00 C ATOM 194 NZ LYS A 15 -9.773 -1.777 5.035 1.00 0.00 N ATOM 0 H LYS A 15 -3.399 -0.456 2.840 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.443 -1.005 5.465 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.860 1.068 4.054 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.837 0.078 2.988 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.508 -0.014 5.900 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.861 1.479 5.053 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.425 0.479 3.637 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.688 -1.107 3.758 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.412 -0.815 6.342 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.604 0.251 5.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.778 -1.570 5.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.629 -1.987 4.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.488 -2.600 5.604 1.00 0.00 H new ATOM 208 N TYR A 16 -5.330 -2.839 2.909 1.00 0.00 N ATOM 209 CA TYR A 16 -6.039 -4.052 2.517 1.00 0.00 C ATOM 210 C TYR A 16 -5.162 -5.284 2.715 1.00 0.00 C ATOM 211 O TYR A 16 -5.657 -6.410 2.784 1.00 0.00 O ATOM 212 CB TYR A 16 -6.484 -3.957 1.056 1.00 0.00 C ATOM 213 CG TYR A 16 -7.407 -2.792 0.778 1.00 0.00 C ATOM 214 CD1 TYR A 16 -8.210 -2.262 1.780 1.00 0.00 C ATOM 215 CD2 TYR A 16 -7.474 -2.221 -0.487 1.00 0.00 C ATOM 216 CE1 TYR A 16 -9.055 -1.199 1.530 1.00 0.00 C ATOM 217 CE2 TYR A 16 -8.315 -1.155 -0.745 1.00 0.00 C ATOM 218 CZ TYR A 16 -9.104 -0.648 0.266 1.00 0.00 C ATOM 219 OH TYR A 16 -9.943 0.412 0.013 1.00 0.00 O ATOM 0 H TYR A 16 -4.734 -2.444 2.181 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.919 -4.150 3.153 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -5.602 -3.870 0.421 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -6.987 -4.883 0.777 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -8.173 -2.689 2.771 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.859 -2.617 -1.282 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -9.675 -0.801 2.320 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -8.354 -0.721 -1.733 1.00 0.00 H new ATOM 0 HH TYR A 16 -9.856 0.681 -0.925 1.00 0.00 H new ATOM 229 N THR A 17 -3.854 -5.063 2.806 1.00 0.00 N ATOM 230 CA THR A 17 -2.906 -6.154 2.995 1.00 0.00 C ATOM 231 C THR A 17 -2.199 -6.040 4.341 1.00 0.00 C ATOM 232 O THR A 17 -2.231 -4.990 4.982 1.00 0.00 O ATOM 233 CB THR A 17 -1.850 -6.181 1.874 1.00 0.00 C ATOM 234 OG1 THR A 17 -1.214 -4.903 1.769 1.00 0.00 O ATOM 235 CG2 THR A 17 -2.486 -6.548 0.541 1.00 0.00 C ATOM 0 H THR A 17 -3.427 -4.138 2.752 1.00 0.00 H new ATOM 0 HA THR A 17 -3.480 -7.080 2.966 1.00 0.00 H new ATOM 0 HB THR A 17 -1.106 -6.937 2.124 1.00 0.00 H new ATOM 0 HG1 THR A 17 -1.839 -4.258 1.377 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.721 -6.561 -0.236 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.944 -7.534 0.616 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.249 -5.812 0.287 1.00 0.00 H new ATOM 243 N GLU A 18 -1.560 -7.127 4.762 1.00 0.00 N ATOM 244 CA GLU A 18 -0.845 -7.148 6.033 1.00 0.00 C ATOM 245 C GLU A 18 0.555 -7.728 5.860 1.00 0.00 C ATOM 246 O GLU A 18 0.714 -8.889 5.484 1.00 0.00 O ATOM 247 CB GLU A 18 -1.623 -7.963 7.068 1.00 0.00 C ATOM 248 CG GLU A 18 -1.248 -7.639 8.505 1.00 0.00 C ATOM 249 CD GLU A 18 -1.815 -8.638 9.495 1.00 0.00 C ATOM 250 OE1 GLU A 18 -1.577 -9.851 9.315 1.00 0.00 O ATOM 251 OE2 GLU A 18 -2.495 -8.207 10.449 1.00 0.00 O ATOM 0 H GLU A 18 -1.523 -8.004 4.242 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.753 -6.121 6.386 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.690 -7.785 6.931 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.451 -9.024 6.887 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.162 -7.618 8.597 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.609 -6.641 8.755 1.00 0.00 H new ATOM 258 N GLU A 19 1.567 -6.911 6.136 1.00 0.00 N ATOM 259 CA GLU A 19 2.954 -7.344 6.010 1.00 0.00 C ATOM 260 C GLU A 19 3.250 -8.505 6.954 1.00 0.00 C ATOM 261 O GLU A 19 2.745 -8.552 8.077 1.00 0.00 O ATOM 262 CB GLU A 19 3.903 -6.179 6.301 1.00 0.00 C ATOM 263 CG GLU A 19 5.326 -6.421 5.828 1.00 0.00 C ATOM 264 CD GLU A 19 6.347 -5.623 6.616 1.00 0.00 C ATOM 265 OE1 GLU A 19 5.966 -4.591 7.207 1.00 0.00 O ATOM 266 OE2 GLU A 19 7.527 -6.031 6.641 1.00 0.00 O ATOM 0 H GLU A 19 1.453 -5.947 6.448 1.00 0.00 H new ATOM 0 HA GLU A 19 3.111 -7.684 4.986 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.518 -5.279 5.822 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.913 -5.989 7.374 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.557 -7.483 5.912 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.403 -6.161 4.772 1.00 0.00 H new ATOM 273 N LEU A 20 4.071 -9.441 6.492 1.00 0.00 N ATOM 274 CA LEU A 20 4.436 -10.604 7.294 1.00 0.00 C ATOM 275 C LEU A 20 5.936 -10.629 7.567 1.00 0.00 C ATOM 276 O LEU A 20 6.747 -10.481 6.652 1.00 0.00 O ATOM 277 CB LEU A 20 4.013 -11.891 6.584 1.00 0.00 C ATOM 278 CG LEU A 20 2.664 -11.849 5.866 1.00 0.00 C ATOM 279 CD1 LEU A 20 2.439 -13.130 5.077 1.00 0.00 C ATOM 280 CD2 LEU A 20 1.535 -11.630 6.863 1.00 0.00 C ATOM 0 H LEU A 20 4.497 -9.418 5.566 1.00 0.00 H new ATOM 0 HA LEU A 20 3.914 -10.535 8.248 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.782 -12.150 5.856 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.986 -12.696 7.319 1.00 0.00 H new ATOM 0 HG LEU A 20 2.672 -11.012 5.167 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.474 -13.082 4.573 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.230 -13.245 4.336 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.451 -13.983 5.756 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.582 -11.603 6.334 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.525 -12.445 7.586 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.688 -10.685 7.384 1.00 0.00 H new ATOM 292 N LYS A 21 6.300 -10.819 8.830 1.00 0.00 N ATOM 293 CA LYS A 21 7.703 -10.868 9.224 1.00 0.00 C ATOM 294 C LYS A 21 8.547 -11.546 8.150 1.00 0.00 C ATOM 295 O LYS A 21 9.660 -11.112 7.855 1.00 0.00 O ATOM 296 CB LYS A 21 7.855 -11.612 10.553 1.00 0.00 C ATOM 297 CG LYS A 21 9.022 -11.123 11.393 1.00 0.00 C ATOM 298 CD LYS A 21 10.268 -11.960 11.158 1.00 0.00 C ATOM 299 CE LYS A 21 10.346 -13.129 12.129 1.00 0.00 C ATOM 300 NZ LYS A 21 11.455 -14.061 11.787 1.00 0.00 N ATOM 0 H LYS A 21 5.642 -10.942 9.600 1.00 0.00 H new ATOM 0 HA LYS A 21 8.056 -9.844 9.345 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.935 -11.505 11.127 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.983 -12.676 10.352 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.232 -10.081 11.153 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.752 -11.159 12.448 1.00 0.00 H new ATOM 0 HD2 LYS A 21 10.268 -12.335 10.135 1.00 0.00 H new ATOM 0 HD3 LYS A 21 11.154 -11.335 11.268 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.488 -12.751 13.141 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.400 -13.671 12.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.475 -14.843 12.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.306 -14.442 10.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 12.360 -13.550 11.819 1.00 0.00 H new ATOM 314 N VAL A 22 8.008 -12.613 7.566 1.00 0.00 N ATOM 315 CA VAL A 22 8.710 -13.349 6.523 1.00 0.00 C ATOM 316 C VAL A 22 7.753 -13.789 5.421 1.00 0.00 C ATOM 317 O VAL A 22 6.640 -14.237 5.694 1.00 0.00 O ATOM 318 CB VAL A 22 9.423 -14.590 7.094 1.00 0.00 C ATOM 319 CG1 VAL A 22 9.977 -15.452 5.970 1.00 0.00 C ATOM 320 CG2 VAL A 22 10.528 -14.175 8.053 1.00 0.00 C ATOM 0 H VAL A 22 7.087 -12.986 7.799 1.00 0.00 H new ATOM 0 HA VAL A 22 9.454 -12.672 6.105 1.00 0.00 H new ATOM 0 HB VAL A 22 8.695 -15.182 7.649 1.00 0.00 H new ATOM 0 HG11 VAL A 22 10.477 -16.324 6.392 1.00 0.00 H new ATOM 0 HG12 VAL A 22 9.161 -15.779 5.326 1.00 0.00 H new ATOM 0 HG13 VAL A 22 10.691 -14.872 5.385 1.00 0.00 H new ATOM 0 HG21 VAL A 22 11.021 -15.064 8.447 1.00 0.00 H new ATOM 0 HG22 VAL A 22 11.257 -13.560 7.524 1.00 0.00 H new ATOM 0 HG23 VAL A 22 10.100 -13.603 8.876 1.00 0.00 H new ATOM 330 N ALA A 23 8.194 -13.658 4.174 1.00 0.00 N ATOM 331 CA ALA A 23 7.377 -14.044 3.030 1.00 0.00 C ATOM 332 C ALA A 23 6.890 -15.483 3.164 1.00 0.00 C ATOM 333 O ALA A 23 7.654 -16.396 3.475 1.00 0.00 O ATOM 334 CB ALA A 23 8.161 -13.868 1.738 1.00 0.00 C ATOM 0 H ALA A 23 9.113 -13.287 3.930 1.00 0.00 H new ATOM 0 HA ALA A 23 6.503 -13.393 3.003 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.539 -14.160 0.892 1.00 0.00 H new ATOM 0 HB2 ALA A 23 8.454 -12.824 1.630 1.00 0.00 H new ATOM 0 HB3 ALA A 23 9.053 -14.494 1.765 1.00 0.00 H new ATOM 340 N PRO A 24 5.586 -15.691 2.926 1.00 0.00 N ATOM 341 CA PRO A 24 4.968 -17.017 3.015 1.00 0.00 C ATOM 342 C PRO A 24 5.421 -17.945 1.893 1.00 0.00 C ATOM 343 O PRO A 24 6.178 -17.541 1.010 1.00 0.00 O ATOM 344 CB PRO A 24 3.471 -16.720 2.891 1.00 0.00 C ATOM 345 CG PRO A 24 3.402 -15.435 2.141 1.00 0.00 C ATOM 346 CD PRO A 24 4.616 -14.649 2.552 1.00 0.00 C ATOM 0 HA PRO A 24 5.240 -17.532 3.937 1.00 0.00 H new ATOM 0 HB2 PRO A 24 2.952 -17.517 2.359 1.00 0.00 H new ATOM 0 HB3 PRO A 24 3.002 -16.632 3.871 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.397 -15.611 1.065 1.00 0.00 H new ATOM 0 HG3 PRO A 24 2.487 -14.893 2.380 1.00 0.00 H new ATOM 0 HD2 PRO A 24 4.988 -14.028 1.737 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.400 -13.983 3.387 1.00 0.00 H new ATOM 354 N GLU A 25 4.954 -19.189 1.934 1.00 0.00 N ATOM 355 CA GLU A 25 5.314 -20.173 0.919 1.00 0.00 C ATOM 356 C GLU A 25 4.371 -20.089 -0.278 1.00 0.00 C ATOM 357 O GLU A 25 4.110 -21.089 -0.946 1.00 0.00 O ATOM 358 CB GLU A 25 5.280 -21.583 1.511 1.00 0.00 C ATOM 359 CG GLU A 25 6.439 -21.877 2.449 1.00 0.00 C ATOM 360 CD GLU A 25 6.130 -21.515 3.888 1.00 0.00 C ATOM 361 OE1 GLU A 25 5.276 -20.630 4.107 1.00 0.00 O ATOM 362 OE2 GLU A 25 6.743 -22.115 4.796 1.00 0.00 O ATOM 0 H GLU A 25 4.326 -19.539 2.658 1.00 0.00 H new ATOM 0 HA GLU A 25 6.326 -19.954 0.578 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.343 -21.719 2.051 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.288 -22.310 0.698 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.689 -22.936 2.390 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.318 -21.323 2.119 1.00 0.00 H new ATOM 369 N GLU A 26 3.864 -18.889 -0.542 1.00 0.00 N ATOM 370 CA GLU A 26 2.950 -18.675 -1.657 1.00 0.00 C ATOM 371 C GLU A 26 3.706 -18.219 -2.902 1.00 0.00 C ATOM 372 O GLU A 26 4.895 -17.906 -2.838 1.00 0.00 O ATOM 373 CB GLU A 26 1.888 -17.638 -1.284 1.00 0.00 C ATOM 374 CG GLU A 26 0.647 -18.240 -0.646 1.00 0.00 C ATOM 375 CD GLU A 26 0.968 -19.088 0.569 1.00 0.00 C ATOM 376 OE1 GLU A 26 1.426 -20.236 0.387 1.00 0.00 O ATOM 377 OE2 GLU A 26 0.762 -18.604 1.701 1.00 0.00 O ATOM 0 H GLU A 26 4.071 -18.051 0.001 1.00 0.00 H new ATOM 0 HA GLU A 26 2.460 -19.623 -1.878 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.325 -16.914 -0.596 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.596 -17.090 -2.180 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.033 -17.439 -0.356 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.124 -18.850 -1.382 1.00 0.00 H new ATOM 384 N ASP A 27 3.008 -18.184 -4.031 1.00 0.00 N ATOM 385 CA ASP A 27 3.613 -17.766 -5.291 1.00 0.00 C ATOM 386 C ASP A 27 2.794 -16.658 -5.945 1.00 0.00 C ATOM 387 O ASP A 27 1.604 -16.826 -6.215 1.00 0.00 O ATOM 388 CB ASP A 27 3.734 -18.957 -6.243 1.00 0.00 C ATOM 389 CG ASP A 27 4.039 -20.251 -5.515 1.00 0.00 C ATOM 390 OD1 ASP A 27 3.093 -20.872 -4.988 1.00 0.00 O ATOM 391 OD2 ASP A 27 5.225 -20.643 -5.471 1.00 0.00 O ATOM 0 H ASP A 27 2.023 -18.440 -4.100 1.00 0.00 H new ATOM 0 HA ASP A 27 4.609 -17.379 -5.077 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.804 -19.068 -6.801 1.00 0.00 H new ATOM 0 HB3 ASP A 27 4.521 -18.758 -6.970 1.00 0.00 H new ATOM 396 N CYS A 28 3.438 -15.523 -6.197 1.00 0.00 N ATOM 397 CA CYS A 28 2.770 -14.386 -6.818 1.00 0.00 C ATOM 398 C CYS A 28 2.447 -14.677 -8.281 1.00 0.00 C ATOM 399 O CYS A 28 3.289 -15.179 -9.025 1.00 0.00 O ATOM 400 CB CYS A 28 3.647 -13.136 -6.718 1.00 0.00 C ATOM 401 SG CYS A 28 3.058 -11.732 -7.719 1.00 0.00 S ATOM 0 H CYS A 28 4.422 -15.367 -5.980 1.00 0.00 H new ATOM 0 HA CYS A 28 1.835 -14.211 -6.285 1.00 0.00 H new ATOM 0 HB2 CYS A 28 3.702 -12.826 -5.674 1.00 0.00 H new ATOM 0 HB3 CYS A 28 4.660 -13.390 -7.029 1.00 0.00 H new ATOM 0 HG CYS A 28 3.011 -10.663 -6.981 1.00 0.00 H new ATOM 406 N ILE A 29 1.221 -14.359 -8.684 1.00 0.00 N ATOM 407 CA ILE A 29 0.787 -14.585 -10.057 1.00 0.00 C ATOM 408 C ILE A 29 0.941 -13.322 -10.897 1.00 0.00 C ATOM 409 O ILE A 29 1.116 -13.392 -12.114 1.00 0.00 O ATOM 410 CB ILE A 29 -0.680 -15.050 -10.114 1.00 0.00 C ATOM 411 CG1 ILE A 29 -1.598 -13.993 -9.496 1.00 0.00 C ATOM 412 CG2 ILE A 29 -0.841 -16.382 -9.397 1.00 0.00 C ATOM 413 CD1 ILE A 29 -2.981 -13.961 -10.108 1.00 0.00 C ATOM 0 H ILE A 29 0.512 -13.944 -8.080 1.00 0.00 H new ATOM 0 HA ILE A 29 1.425 -15.370 -10.465 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.963 -15.184 -11.158 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.687 -14.182 -8.426 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.137 -13.012 -9.609 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.883 -16.698 -9.446 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.212 -17.132 -9.877 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.544 -16.272 -8.354 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.576 -13.189 -9.621 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.903 -13.742 -11.173 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.462 -14.930 -9.971 1.00 0.00 H new ATOM 425 N ILE A 30 0.877 -12.169 -10.240 1.00 0.00 N ATOM 426 CA ILE A 30 1.012 -10.890 -10.927 1.00 0.00 C ATOM 427 C ILE A 30 2.326 -10.817 -11.698 1.00 0.00 C ATOM 428 O ILE A 30 2.385 -10.258 -12.794 1.00 0.00 O ATOM 429 CB ILE A 30 0.943 -9.711 -9.939 1.00 0.00 C ATOM 430 CG1 ILE A 30 -0.401 -9.709 -9.207 1.00 0.00 C ATOM 431 CG2 ILE A 30 1.156 -8.394 -10.670 1.00 0.00 C ATOM 432 CD1 ILE A 30 -0.481 -8.686 -8.095 1.00 0.00 C ATOM 0 H ILE A 30 0.733 -12.094 -9.233 1.00 0.00 H new ATOM 0 HA ILE A 30 0.179 -10.817 -11.626 1.00 0.00 H new ATOM 0 HB ILE A 30 1.737 -9.827 -9.202 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.197 -9.515 -9.926 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.581 -10.700 -8.791 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.104 -7.570 -9.958 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.135 -8.398 -11.150 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.382 -8.269 -11.427 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.461 -8.741 -7.620 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.293 -8.891 -7.355 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.333 -7.688 -8.507 1.00 0.00 H new ATOM 444 N CYS A 31 3.378 -11.385 -11.119 1.00 0.00 N ATOM 445 CA CYS A 31 4.692 -11.386 -11.751 1.00 0.00 C ATOM 446 C CYS A 31 5.180 -12.813 -11.988 1.00 0.00 C ATOM 447 O CYS A 31 6.152 -13.034 -12.709 1.00 0.00 O ATOM 448 CB CYS A 31 5.699 -10.629 -10.883 1.00 0.00 C ATOM 449 SG CYS A 31 6.086 -11.450 -9.304 1.00 0.00 S ATOM 0 H CYS A 31 3.346 -11.851 -10.212 1.00 0.00 H new ATOM 0 HA CYS A 31 4.605 -10.885 -12.715 1.00 0.00 H new ATOM 0 HB2 CYS A 31 6.622 -10.497 -11.447 1.00 0.00 H new ATOM 0 HB3 CYS A 31 5.307 -9.633 -10.676 1.00 0.00 H new ATOM 0 HG CYS A 31 4.991 -11.625 -8.626 1.00 0.00 H new ATOM 454 N MET A 32 4.498 -13.775 -11.377 1.00 0.00 N ATOM 455 CA MET A 32 4.861 -15.180 -11.523 1.00 0.00 C ATOM 456 C MET A 32 6.255 -15.442 -10.963 1.00 0.00 C ATOM 457 O MET A 32 7.096 -16.049 -11.626 1.00 0.00 O ATOM 458 CB MET A 32 4.804 -15.593 -12.995 1.00 0.00 C ATOM 459 CG MET A 32 3.408 -15.526 -13.591 1.00 0.00 C ATOM 460 SD MET A 32 2.456 -17.029 -13.302 1.00 0.00 S ATOM 461 CE MET A 32 0.848 -16.537 -13.920 1.00 0.00 C ATOM 0 H MET A 32 3.691 -13.608 -10.776 1.00 0.00 H new ATOM 0 HA MET A 32 4.144 -15.776 -10.958 1.00 0.00 H new ATOM 0 HB2 MET A 32 5.467 -14.948 -13.571 1.00 0.00 H new ATOM 0 HB3 MET A 32 5.184 -16.610 -13.094 1.00 0.00 H new ATOM 0 HG2 MET A 32 2.876 -14.676 -13.164 1.00 0.00 H new ATOM 0 HG3 MET A 32 3.483 -15.349 -14.664 1.00 0.00 H new ATOM 0 HE1 MET A 32 0.147 -17.364 -13.809 1.00 0.00 H new ATOM 0 HE2 MET A 32 0.488 -15.678 -13.354 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.929 -16.269 -14.973 1.00 0.00 H new ATOM 471 N GLU A 33 6.493 -14.980 -9.739 1.00 0.00 N ATOM 472 CA GLU A 33 7.787 -15.165 -9.092 1.00 0.00 C ATOM 473 C GLU A 33 7.612 -15.519 -7.618 1.00 0.00 C ATOM 474 O GLU A 33 6.757 -14.960 -6.930 1.00 0.00 O ATOM 475 CB GLU A 33 8.635 -13.898 -9.226 1.00 0.00 C ATOM 476 CG GLU A 33 9.075 -13.609 -10.651 1.00 0.00 C ATOM 477 CD GLU A 33 10.408 -14.247 -10.991 1.00 0.00 C ATOM 478 OE1 GLU A 33 11.236 -14.418 -10.072 1.00 0.00 O ATOM 479 OE2 GLU A 33 10.622 -14.575 -12.177 1.00 0.00 O ATOM 0 H GLU A 33 5.808 -14.476 -9.176 1.00 0.00 H new ATOM 0 HA GLU A 33 8.298 -15.990 -9.588 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.065 -13.048 -8.851 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.518 -13.993 -8.594 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.315 -13.973 -11.343 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.146 -12.531 -10.794 1.00 0.00 H new ATOM 486 N LYS A 34 8.428 -16.452 -7.139 1.00 0.00 N ATOM 487 CA LYS A 34 8.366 -16.882 -5.747 1.00 0.00 C ATOM 488 C LYS A 34 8.576 -15.702 -4.803 1.00 0.00 C ATOM 489 O LYS A 34 9.564 -14.975 -4.912 1.00 0.00 O ATOM 490 CB LYS A 34 9.419 -17.958 -5.477 1.00 0.00 C ATOM 491 CG LYS A 34 8.975 -19.356 -5.872 1.00 0.00 C ATOM 492 CD LYS A 34 10.151 -20.209 -6.319 1.00 0.00 C ATOM 493 CE LYS A 34 10.469 -19.992 -7.791 1.00 0.00 C ATOM 494 NZ LYS A 34 11.405 -18.851 -7.994 1.00 0.00 N ATOM 0 H LYS A 34 9.141 -16.925 -7.695 1.00 0.00 H new ATOM 0 HA LYS A 34 7.375 -17.298 -5.565 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.330 -17.708 -6.021 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.669 -17.951 -4.416 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.478 -19.833 -5.027 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.243 -19.292 -6.677 1.00 0.00 H new ATOM 0 HD2 LYS A 34 11.027 -19.967 -5.717 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.925 -21.261 -6.146 1.00 0.00 H new ATOM 0 HE2 LYS A 34 10.908 -20.900 -8.205 1.00 0.00 H new ATOM 0 HE3 LYS A 34 9.545 -19.806 -8.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 11.970 -19.014 -8.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.861 -17.971 -8.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 12.038 -18.771 -7.173 1.00 0.00 H new ATOM 508 N LEU A 35 7.642 -15.517 -3.877 1.00 0.00 N ATOM 509 CA LEU A 35 7.725 -14.426 -2.912 1.00 0.00 C ATOM 510 C LEU A 35 9.123 -14.341 -2.306 1.00 0.00 C ATOM 511 O LEU A 35 9.606 -13.256 -1.985 1.00 0.00 O ATOM 512 CB LEU A 35 6.688 -14.617 -1.805 1.00 0.00 C ATOM 513 CG LEU A 35 5.232 -14.727 -2.260 1.00 0.00 C ATOM 514 CD1 LEU A 35 4.346 -15.184 -1.112 1.00 0.00 C ATOM 515 CD2 LEU A 35 4.745 -13.397 -2.815 1.00 0.00 C ATOM 0 H LEU A 35 6.818 -16.109 -3.774 1.00 0.00 H new ATOM 0 HA LEU A 35 7.518 -13.493 -3.437 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.943 -15.519 -1.248 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.769 -13.780 -1.111 1.00 0.00 H new ATOM 0 HG LEU A 35 5.175 -15.472 -3.054 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.314 -15.256 -1.455 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.681 -16.160 -0.760 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.407 -14.464 -0.296 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.707 -13.494 -3.134 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.817 -12.632 -2.042 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.361 -13.111 -3.667 1.00 0.00 H new ATOM 527 N ALA A 36 9.767 -15.493 -2.155 1.00 0.00 N ATOM 528 CA ALA A 36 11.111 -15.549 -1.591 1.00 0.00 C ATOM 529 C ALA A 36 12.046 -14.581 -2.308 1.00 0.00 C ATOM 530 O ALA A 36 12.887 -13.935 -1.681 1.00 0.00 O ATOM 531 CB ALA A 36 11.657 -16.967 -1.667 1.00 0.00 C ATOM 0 H ALA A 36 9.380 -16.400 -2.415 1.00 0.00 H new ATOM 0 HA ALA A 36 11.053 -15.250 -0.544 1.00 0.00 H new ATOM 0 HB1 ALA A 36 12.661 -16.994 -1.243 1.00 0.00 H new ATOM 0 HB2 ALA A 36 11.007 -17.638 -1.105 1.00 0.00 H new ATOM 0 HB3 ALA A 36 11.695 -17.287 -2.708 1.00 0.00 H new ATOM 537 N VAL A 37 11.896 -14.485 -3.625 1.00 0.00 N ATOM 538 CA VAL A 37 12.728 -13.595 -4.426 1.00 0.00 C ATOM 539 C VAL A 37 12.094 -12.214 -4.551 1.00 0.00 C ATOM 540 O VAL A 37 10.963 -11.998 -4.117 1.00 0.00 O ATOM 541 CB VAL A 37 12.965 -14.168 -5.837 1.00 0.00 C ATOM 542 CG1 VAL A 37 13.746 -15.471 -5.759 1.00 0.00 C ATOM 543 CG2 VAL A 37 11.642 -14.372 -6.558 1.00 0.00 C ATOM 0 H VAL A 37 11.206 -15.013 -4.160 1.00 0.00 H new ATOM 0 HA VAL A 37 13.685 -13.507 -3.911 1.00 0.00 H new ATOM 0 HB VAL A 37 13.556 -13.451 -6.407 1.00 0.00 H new ATOM 0 HG11 VAL A 37 13.904 -15.861 -6.764 1.00 0.00 H new ATOM 0 HG12 VAL A 37 14.710 -15.289 -5.284 1.00 0.00 H new ATOM 0 HG13 VAL A 37 13.184 -16.197 -5.172 1.00 0.00 H new ATOM 0 HG21 VAL A 37 11.828 -14.777 -7.553 1.00 0.00 H new ATOM 0 HG22 VAL A 37 11.023 -15.069 -5.993 1.00 0.00 H new ATOM 0 HG23 VAL A 37 11.125 -13.417 -6.646 1.00 0.00 H new ATOM 553 N ALA A 38 12.831 -11.282 -5.146 1.00 0.00 N ATOM 554 CA ALA A 38 12.340 -9.922 -5.330 1.00 0.00 C ATOM 555 C ALA A 38 11.146 -9.893 -6.278 1.00 0.00 C ATOM 556 O ALA A 38 10.839 -10.887 -6.935 1.00 0.00 O ATOM 557 CB ALA A 38 13.453 -9.026 -5.852 1.00 0.00 C ATOM 0 H ALA A 38 13.770 -11.444 -5.509 1.00 0.00 H new ATOM 0 HA ALA A 38 12.010 -9.547 -4.361 1.00 0.00 H new ATOM 0 HB1 ALA A 38 13.073 -8.013 -5.985 1.00 0.00 H new ATOM 0 HB2 ALA A 38 14.276 -9.014 -5.137 1.00 0.00 H new ATOM 0 HB3 ALA A 38 13.809 -9.408 -6.809 1.00 0.00 H new ATOM 563 N SER A 39 10.476 -8.747 -6.342 1.00 0.00 N ATOM 564 CA SER A 39 9.312 -8.590 -7.207 1.00 0.00 C ATOM 565 C SER A 39 9.737 -8.286 -8.640 1.00 0.00 C ATOM 566 O SER A 39 10.850 -7.823 -8.885 1.00 0.00 O ATOM 567 CB SER A 39 8.408 -7.472 -6.682 1.00 0.00 C ATOM 568 OG SER A 39 7.288 -7.283 -7.529 1.00 0.00 O ATOM 0 H SER A 39 10.719 -7.914 -5.806 1.00 0.00 H new ATOM 0 HA SER A 39 8.757 -9.528 -7.203 1.00 0.00 H new ATOM 0 HB2 SER A 39 8.070 -7.716 -5.675 1.00 0.00 H new ATOM 0 HB3 SER A 39 8.975 -6.544 -6.611 1.00 0.00 H new ATOM 0 HG SER A 39 6.716 -8.078 -7.497 1.00 0.00 H new ATOM 574 N GLY A 40 8.840 -8.550 -9.585 1.00 0.00 N ATOM 575 CA GLY A 40 9.139 -8.299 -10.983 1.00 0.00 C ATOM 576 C GLY A 40 9.028 -6.832 -11.345 1.00 0.00 C ATOM 577 O GLY A 40 9.836 -6.312 -12.116 1.00 0.00 O ATOM 0 H GLY A 40 7.912 -8.933 -9.408 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.147 -8.649 -11.204 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.457 -8.877 -11.607 1.00 0.00 H new ATOM 581 N TYR A 41 8.023 -6.162 -10.791 1.00 0.00 N ATOM 582 CA TYR A 41 7.807 -4.746 -11.063 1.00 0.00 C ATOM 583 C TYR A 41 8.862 -3.890 -10.371 1.00 0.00 C ATOM 584 O TYR A 41 8.969 -2.690 -10.624 1.00 0.00 O ATOM 585 CB TYR A 41 6.410 -4.325 -10.603 1.00 0.00 C ATOM 586 CG TYR A 41 5.297 -4.874 -11.467 1.00 0.00 C ATOM 587 CD1 TYR A 41 5.099 -6.243 -11.591 1.00 0.00 C ATOM 588 CD2 TYR A 41 4.442 -4.023 -12.157 1.00 0.00 C ATOM 589 CE1 TYR A 41 4.083 -6.749 -12.380 1.00 0.00 C ATOM 590 CE2 TYR A 41 3.423 -4.520 -12.946 1.00 0.00 C ATOM 591 CZ TYR A 41 3.248 -5.884 -13.055 1.00 0.00 C ATOM 592 OH TYR A 41 2.235 -6.384 -13.840 1.00 0.00 O ATOM 0 H TYR A 41 7.346 -6.577 -10.151 1.00 0.00 H new ATOM 0 HA TYR A 41 7.891 -4.592 -12.139 1.00 0.00 H new ATOM 0 HB2 TYR A 41 6.259 -4.658 -9.576 1.00 0.00 H new ATOM 0 HB3 TYR A 41 6.351 -3.237 -10.597 1.00 0.00 H new ATOM 0 HD1 TYR A 41 5.750 -6.924 -11.062 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.577 -2.955 -12.075 1.00 0.00 H new ATOM 0 HE1 TYR A 41 3.944 -7.816 -12.467 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.767 -3.844 -13.475 1.00 0.00 H new ATOM 0 HH TYR A 41 1.738 -5.642 -14.245 1.00 0.00 H new ATOM 602 N SER A 42 9.641 -4.516 -9.494 1.00 0.00 N ATOM 603 CA SER A 42 10.687 -3.813 -8.762 1.00 0.00 C ATOM 604 C SER A 42 11.336 -2.743 -9.634 1.00 0.00 C ATOM 605 O SER A 42 11.700 -1.670 -9.152 1.00 0.00 O ATOM 606 CB SER A 42 11.749 -4.800 -8.272 1.00 0.00 C ATOM 607 OG SER A 42 12.673 -5.107 -9.301 1.00 0.00 O ATOM 0 H SER A 42 9.567 -5.509 -9.274 1.00 0.00 H new ATOM 0 HA SER A 42 10.228 -3.327 -7.901 1.00 0.00 H new ATOM 0 HB2 SER A 42 12.278 -4.376 -7.419 1.00 0.00 H new ATOM 0 HB3 SER A 42 11.268 -5.715 -7.926 1.00 0.00 H new ATOM 0 HG SER A 42 13.342 -5.738 -8.962 1.00 0.00 H new ATOM 613 N ASP A 43 11.478 -3.043 -10.920 1.00 0.00 N ATOM 614 CA ASP A 43 12.081 -2.107 -11.862 1.00 0.00 C ATOM 615 C ASP A 43 11.080 -1.035 -12.280 1.00 0.00 C ATOM 616 O ASP A 43 11.340 0.160 -12.140 1.00 0.00 O ATOM 617 CB ASP A 43 12.595 -2.852 -13.095 1.00 0.00 C ATOM 618 CG ASP A 43 13.314 -1.936 -14.066 1.00 0.00 C ATOM 619 OD1 ASP A 43 12.672 -1.000 -14.587 1.00 0.00 O ATOM 620 OD2 ASP A 43 14.520 -2.155 -14.305 1.00 0.00 O ATOM 0 H ASP A 43 11.184 -3.927 -11.334 1.00 0.00 H new ATOM 0 HA ASP A 43 12.920 -1.620 -11.365 1.00 0.00 H new ATOM 0 HB2 ASP A 43 13.272 -3.646 -12.780 1.00 0.00 H new ATOM 0 HB3 ASP A 43 11.757 -3.330 -13.603 1.00 0.00 H new ATOM 625 N MET A 44 9.935 -1.471 -12.796 1.00 0.00 N ATOM 626 CA MET A 44 8.895 -0.548 -13.235 1.00 0.00 C ATOM 627 C MET A 44 8.531 0.430 -12.122 1.00 0.00 C ATOM 628 O MET A 44 8.521 1.644 -12.327 1.00 0.00 O ATOM 629 CB MET A 44 7.651 -1.321 -13.677 1.00 0.00 C ATOM 630 CG MET A 44 6.495 -0.426 -14.093 1.00 0.00 C ATOM 631 SD MET A 44 5.007 -1.358 -14.502 1.00 0.00 S ATOM 632 CE MET A 44 3.890 -0.791 -13.223 1.00 0.00 C ATOM 0 H MET A 44 9.704 -2.457 -12.920 1.00 0.00 H new ATOM 0 HA MET A 44 9.281 0.020 -14.082 1.00 0.00 H new ATOM 0 HB2 MET A 44 7.915 -1.971 -14.511 1.00 0.00 H new ATOM 0 HB3 MET A 44 7.325 -1.966 -12.861 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.272 0.271 -13.286 1.00 0.00 H new ATOM 0 HG3 MET A 44 6.794 0.170 -14.955 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.973 -1.380 -13.253 1.00 0.00 H new ATOM 0 HE2 MET A 44 4.364 -0.907 -12.248 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.652 0.260 -13.388 1.00 0.00 H new ATOM 642 N THR A 45 8.232 -0.106 -10.943 1.00 0.00 N ATOM 643 CA THR A 45 7.867 0.719 -9.799 1.00 0.00 C ATOM 644 C THR A 45 9.101 1.149 -9.014 1.00 0.00 C ATOM 645 O THR A 45 10.103 0.435 -8.975 1.00 0.00 O ATOM 646 CB THR A 45 6.905 -0.025 -8.853 1.00 0.00 C ATOM 647 OG1 THR A 45 7.443 -1.309 -8.518 1.00 0.00 O ATOM 648 CG2 THR A 45 5.537 -0.196 -9.498 1.00 0.00 C ATOM 0 H THR A 45 8.236 -1.109 -10.756 1.00 0.00 H new ATOM 0 HA THR A 45 7.365 1.602 -10.195 1.00 0.00 H new ATOM 0 HB THR A 45 6.791 0.569 -7.946 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.760 -1.997 -8.661 1.00 0.00 H new ATOM 0 HG21 THR A 45 4.875 -0.724 -8.812 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.117 0.784 -9.726 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.638 -0.771 -10.419 1.00 0.00 H new ATOM 656 N ASP A 46 9.021 2.319 -8.389 1.00 0.00 N ATOM 657 CA ASP A 46 10.132 2.843 -7.603 1.00 0.00 C ATOM 658 C ASP A 46 9.641 3.392 -6.267 1.00 0.00 C ATOM 659 O ASP A 46 10.150 4.398 -5.774 1.00 0.00 O ATOM 660 CB ASP A 46 10.863 3.938 -8.381 1.00 0.00 C ATOM 661 CG ASP A 46 10.267 5.312 -8.146 1.00 0.00 C ATOM 662 OD1 ASP A 46 9.124 5.547 -8.592 1.00 0.00 O ATOM 663 OD2 ASP A 46 10.943 6.153 -7.517 1.00 0.00 O ATOM 0 H ASP A 46 8.199 2.922 -8.411 1.00 0.00 H new ATOM 0 HA ASP A 46 10.824 2.024 -7.406 1.00 0.00 H new ATOM 0 HB2 ASP A 46 11.914 3.946 -8.090 1.00 0.00 H new ATOM 0 HB3 ASP A 46 10.829 3.708 -9.446 1.00 0.00 H new ATOM 668 N SER A 47 8.648 2.725 -5.688 1.00 0.00 N ATOM 669 CA SER A 47 8.084 3.149 -4.412 1.00 0.00 C ATOM 670 C SER A 47 9.102 2.985 -3.287 1.00 0.00 C ATOM 671 O SER A 47 9.826 1.991 -3.228 1.00 0.00 O ATOM 672 CB SER A 47 6.823 2.343 -4.094 1.00 0.00 C ATOM 673 OG SER A 47 6.104 2.923 -3.020 1.00 0.00 O ATOM 0 H SER A 47 8.217 1.889 -6.082 1.00 0.00 H new ATOM 0 HA SER A 47 7.822 4.204 -4.492 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.186 2.294 -4.977 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.097 1.319 -3.841 1.00 0.00 H new ATOM 0 HG SER A 47 5.302 2.390 -2.838 1.00 0.00 H new ATOM 679 N LYS A 48 9.153 3.969 -2.396 1.00 0.00 N ATOM 680 CA LYS A 48 10.080 3.936 -1.271 1.00 0.00 C ATOM 681 C LYS A 48 9.483 3.170 -0.096 1.00 0.00 C ATOM 682 O LYS A 48 10.101 2.247 0.434 1.00 0.00 O ATOM 683 CB LYS A 48 10.438 5.360 -0.837 1.00 0.00 C ATOM 684 CG LYS A 48 11.387 5.414 0.347 1.00 0.00 C ATOM 685 CD LYS A 48 12.767 4.893 -0.019 1.00 0.00 C ATOM 686 CE LYS A 48 13.640 5.993 -0.603 1.00 0.00 C ATOM 687 NZ LYS A 48 15.089 5.658 -0.512 1.00 0.00 N ATOM 0 H LYS A 48 8.563 4.800 -2.431 1.00 0.00 H new ATOM 0 HA LYS A 48 10.986 3.422 -1.594 1.00 0.00 H new ATOM 0 HB2 LYS A 48 10.890 5.885 -1.679 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.523 5.894 -0.583 1.00 0.00 H new ATOM 0 HG2 LYS A 48 11.468 6.441 0.703 1.00 0.00 H new ATOM 0 HG3 LYS A 48 10.980 4.823 1.168 1.00 0.00 H new ATOM 0 HD2 LYS A 48 13.247 4.477 0.867 1.00 0.00 H new ATOM 0 HD3 LYS A 48 12.671 4.081 -0.740 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.370 6.156 -1.646 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.449 6.927 -0.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.651 6.432 -0.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 15.353 5.527 0.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 15.276 4.780 -1.037 1.00 0.00 H new ATOM 701 N ALA A 49 8.277 3.558 0.307 1.00 0.00 N ATOM 702 CA ALA A 49 7.596 2.905 1.417 1.00 0.00 C ATOM 703 C ALA A 49 7.492 1.401 1.190 1.00 0.00 C ATOM 704 O ALA A 49 7.766 0.607 2.091 1.00 0.00 O ATOM 705 CB ALA A 49 6.212 3.508 1.614 1.00 0.00 C ATOM 0 H ALA A 49 7.752 4.322 -0.119 1.00 0.00 H new ATOM 0 HA ALA A 49 8.185 3.069 2.319 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.714 3.011 2.446 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.306 4.572 1.830 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.624 3.373 0.706 1.00 0.00 H new ATOM 711 N LEU A 50 7.096 1.016 -0.018 1.00 0.00 N ATOM 712 CA LEU A 50 6.956 -0.394 -0.364 1.00 0.00 C ATOM 713 C LEU A 50 8.265 -0.953 -0.914 1.00 0.00 C ATOM 714 O LEU A 50 9.077 -0.219 -1.475 1.00 0.00 O ATOM 715 CB LEU A 50 5.838 -0.579 -1.391 1.00 0.00 C ATOM 716 CG LEU A 50 4.413 -0.371 -0.877 1.00 0.00 C ATOM 717 CD1 LEU A 50 3.415 -0.453 -2.022 1.00 0.00 C ATOM 718 CD2 LEU A 50 4.079 -1.394 0.199 1.00 0.00 C ATOM 0 H LEU A 50 6.866 1.661 -0.774 1.00 0.00 H new ATOM 0 HA LEU A 50 6.702 -0.941 0.544 1.00 0.00 H new ATOM 0 HB2 LEU A 50 6.010 0.114 -2.215 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.912 -1.586 -1.801 1.00 0.00 H new ATOM 0 HG LEU A 50 4.348 0.624 -0.436 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.406 -0.303 -1.637 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.641 0.319 -2.758 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.481 -1.434 -2.493 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.061 -1.231 0.553 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.162 -2.399 -0.216 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.774 -1.287 1.032 1.00 0.00 H new ATOM 730 N GLY A 51 8.461 -2.258 -0.750 1.00 0.00 N ATOM 731 CA GLY A 51 9.671 -2.893 -1.237 1.00 0.00 C ATOM 732 C GLY A 51 9.385 -4.140 -2.050 1.00 0.00 C ATOM 733 O GLY A 51 8.432 -4.873 -1.786 1.00 0.00 O ATOM 0 H GLY A 51 7.803 -2.886 -0.289 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.229 -2.184 -1.849 1.00 0.00 H new ATOM 0 HA3 GLY A 51 10.307 -3.153 -0.391 1.00 0.00 H new ATOM 737 N PRO A 52 10.223 -4.393 -3.066 1.00 0.00 N ATOM 738 CA PRO A 52 10.075 -5.559 -3.942 1.00 0.00 C ATOM 739 C PRO A 52 10.392 -6.867 -3.224 1.00 0.00 C ATOM 740 O PRO A 52 10.185 -7.951 -3.769 1.00 0.00 O ATOM 741 CB PRO A 52 11.093 -5.299 -5.055 1.00 0.00 C ATOM 742 CG PRO A 52 12.118 -4.416 -4.431 1.00 0.00 C ATOM 743 CD PRO A 52 11.380 -3.562 -3.438 1.00 0.00 C ATOM 0 HA PRO A 52 9.052 -5.672 -4.300 1.00 0.00 H new ATOM 0 HB2 PRO A 52 11.536 -6.229 -5.412 1.00 0.00 H new ATOM 0 HB3 PRO A 52 10.626 -4.818 -5.914 1.00 0.00 H new ATOM 0 HG2 PRO A 52 12.893 -5.004 -3.940 1.00 0.00 H new ATOM 0 HG3 PRO A 52 12.613 -3.801 -5.183 1.00 0.00 H new ATOM 0 HD2 PRO A 52 11.999 -3.325 -2.573 1.00 0.00 H new ATOM 0 HD3 PRO A 52 11.069 -2.614 -3.876 1.00 0.00 H new ATOM 751 N MET A 53 10.896 -6.758 -2.000 1.00 0.00 N ATOM 752 CA MET A 53 11.241 -7.933 -1.208 1.00 0.00 C ATOM 753 C MET A 53 10.158 -8.228 -0.174 1.00 0.00 C ATOM 754 O MET A 53 9.864 -9.387 0.118 1.00 0.00 O ATOM 755 CB MET A 53 12.586 -7.727 -0.510 1.00 0.00 C ATOM 756 CG MET A 53 13.781 -8.109 -1.368 1.00 0.00 C ATOM 757 SD MET A 53 14.161 -9.870 -1.286 1.00 0.00 S ATOM 758 CE MET A 53 14.966 -10.117 -2.866 1.00 0.00 C ATOM 0 H MET A 53 11.075 -5.868 -1.534 1.00 0.00 H new ATOM 0 HA MET A 53 11.317 -8.786 -1.883 1.00 0.00 H new ATOM 0 HB2 MET A 53 12.678 -6.681 -0.218 1.00 0.00 H new ATOM 0 HB3 MET A 53 12.604 -8.316 0.407 1.00 0.00 H new ATOM 0 HG2 MET A 53 13.583 -7.832 -2.403 1.00 0.00 H new ATOM 0 HG3 MET A 53 14.652 -7.538 -1.046 1.00 0.00 H new ATOM 0 HE1 MET A 53 14.345 -10.755 -3.495 1.00 0.00 H new ATOM 0 HE2 MET A 53 15.110 -9.154 -3.355 1.00 0.00 H new ATOM 0 HE3 MET A 53 15.934 -10.593 -2.711 1.00 0.00 H new ATOM 768 N VAL A 54 9.569 -7.172 0.377 1.00 0.00 N ATOM 769 CA VAL A 54 8.519 -7.318 1.378 1.00 0.00 C ATOM 770 C VAL A 54 7.268 -7.948 0.774 1.00 0.00 C ATOM 771 O VAL A 54 6.958 -7.737 -0.398 1.00 0.00 O ATOM 772 CB VAL A 54 8.146 -5.961 2.003 1.00 0.00 C ATOM 773 CG1 VAL A 54 7.438 -5.080 0.984 1.00 0.00 C ATOM 774 CG2 VAL A 54 7.280 -6.163 3.237 1.00 0.00 C ATOM 0 H VAL A 54 9.801 -6.206 0.147 1.00 0.00 H new ATOM 0 HA VAL A 54 8.913 -7.972 2.156 1.00 0.00 H new ATOM 0 HB VAL A 54 9.063 -5.457 2.309 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.182 -4.125 1.444 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.096 -4.908 0.132 1.00 0.00 H new ATOM 0 HG13 VAL A 54 6.528 -5.575 0.645 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.026 -5.194 3.666 1.00 0.00 H new ATOM 0 HG22 VAL A 54 6.366 -6.687 2.958 1.00 0.00 H new ATOM 0 HG23 VAL A 54 7.827 -6.753 3.973 1.00 0.00 H new ATOM 784 N VAL A 55 6.553 -8.723 1.584 1.00 0.00 N ATOM 785 CA VAL A 55 5.335 -9.383 1.130 1.00 0.00 C ATOM 786 C VAL A 55 4.256 -9.345 2.207 1.00 0.00 C ATOM 787 O VAL A 55 4.548 -9.453 3.397 1.00 0.00 O ATOM 788 CB VAL A 55 5.603 -10.849 0.739 1.00 0.00 C ATOM 789 CG1 VAL A 55 4.325 -11.513 0.249 1.00 0.00 C ATOM 790 CG2 VAL A 55 6.693 -10.926 -0.319 1.00 0.00 C ATOM 0 H VAL A 55 6.796 -8.909 2.557 1.00 0.00 H new ATOM 0 HA VAL A 55 4.988 -8.838 0.252 1.00 0.00 H new ATOM 0 HB VAL A 55 5.947 -11.386 1.623 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.534 -12.548 -0.023 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.576 -11.490 1.041 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.948 -10.978 -0.623 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.870 -11.968 -0.584 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.379 -10.375 -1.205 1.00 0.00 H new ATOM 0 HG23 VAL A 55 7.612 -10.490 0.073 1.00 0.00 H new ATOM 800 N GLY A 56 3.006 -9.192 1.780 1.00 0.00 N ATOM 801 CA GLY A 56 1.902 -9.142 2.720 1.00 0.00 C ATOM 802 C GLY A 56 0.685 -9.899 2.225 1.00 0.00 C ATOM 803 O GLY A 56 0.440 -9.974 1.021 1.00 0.00 O ATOM 0 H GLY A 56 2.739 -9.102 0.800 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.222 -9.559 3.675 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.630 -8.102 2.902 1.00 0.00 H new ATOM 807 N ARG A 57 -0.078 -10.462 3.155 1.00 0.00 N ATOM 808 CA ARG A 57 -1.275 -11.219 2.807 1.00 0.00 C ATOM 809 C ARG A 57 -2.531 -10.379 3.018 1.00 0.00 C ATOM 810 O ARG A 57 -2.663 -9.684 4.026 1.00 0.00 O ATOM 811 CB ARG A 57 -1.357 -12.498 3.643 1.00 0.00 C ATOM 812 CG ARG A 57 -0.659 -13.688 3.006 1.00 0.00 C ATOM 813 CD ARG A 57 -0.920 -14.969 3.784 1.00 0.00 C ATOM 814 NE ARG A 57 -0.405 -14.895 5.149 1.00 0.00 N ATOM 815 CZ ARG A 57 -0.081 -15.962 5.870 1.00 0.00 C ATOM 816 NH1 ARG A 57 -0.217 -17.178 5.360 1.00 0.00 N ATOM 817 NH2 ARG A 57 0.381 -15.814 7.105 1.00 0.00 N ATOM 0 H ARG A 57 0.111 -10.409 4.156 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.211 -11.486 1.752 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -0.916 -12.311 4.622 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -2.405 -12.748 3.808 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -1.005 -13.808 1.979 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.414 -13.501 2.961 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -1.992 -15.165 3.811 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.456 -15.808 3.266 1.00 0.00 H new ATOM 0 HE ARG A 57 -0.288 -13.974 5.571 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -0.571 -17.296 4.411 1.00 0.00 H new ATOM 0 HH12 ARG A 57 0.033 -17.995 5.917 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.487 -14.880 7.501 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.630 -16.634 7.658 1.00 0.00 H new ATOM 831 N LEU A 58 -3.450 -10.448 2.061 1.00 0.00 N ATOM 832 CA LEU A 58 -4.695 -9.693 2.141 1.00 0.00 C ATOM 833 C LEU A 58 -5.508 -10.111 3.362 1.00 0.00 C ATOM 834 O LEU A 58 -5.395 -11.241 3.840 1.00 0.00 O ATOM 835 CB LEU A 58 -5.522 -9.898 0.870 1.00 0.00 C ATOM 836 CG LEU A 58 -5.010 -9.190 -0.385 1.00 0.00 C ATOM 837 CD1 LEU A 58 -5.362 -9.990 -1.630 1.00 0.00 C ATOM 838 CD2 LEU A 58 -5.581 -7.783 -0.473 1.00 0.00 C ATOM 0 H LEU A 58 -3.356 -11.019 1.221 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.444 -8.637 2.238 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.575 -10.967 0.664 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.540 -9.560 1.064 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.924 -9.116 -0.321 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.990 -9.471 -2.513 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.904 -10.977 -1.570 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.445 -10.096 -1.701 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.206 -7.294 -1.372 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.669 -7.834 -0.514 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.278 -7.212 0.404 1.00 0.00 H new ATOM 850 N THR A 59 -6.329 -9.194 3.863 1.00 0.00 N ATOM 851 CA THR A 59 -7.161 -9.467 5.028 1.00 0.00 C ATOM 852 C THR A 59 -8.567 -9.887 4.613 1.00 0.00 C ATOM 853 O THR A 59 -9.509 -9.806 5.402 1.00 0.00 O ATOM 854 CB THR A 59 -7.257 -8.238 5.951 1.00 0.00 C ATOM 855 OG1 THR A 59 -7.894 -7.156 5.263 1.00 0.00 O ATOM 856 CG2 THR A 59 -5.876 -7.804 6.419 1.00 0.00 C ATOM 0 H THR A 59 -6.436 -8.255 3.480 1.00 0.00 H new ATOM 0 HA THR A 59 -6.685 -10.284 5.571 1.00 0.00 H new ATOM 0 HB THR A 59 -7.850 -8.512 6.823 1.00 0.00 H new ATOM 0 HG1 THR A 59 -7.952 -6.379 5.858 1.00 0.00 H new ATOM 0 HG21 THR A 59 -5.969 -6.934 7.070 1.00 0.00 H new ATOM 0 HG22 THR A 59 -5.405 -8.619 6.968 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.263 -7.547 5.555 1.00 0.00 H new ATOM 864 N LYS A 60 -8.702 -10.336 3.370 1.00 0.00 N ATOM 865 CA LYS A 60 -9.993 -10.771 2.849 1.00 0.00 C ATOM 866 C LYS A 60 -9.941 -12.233 2.418 1.00 0.00 C ATOM 867 O LYS A 60 -10.606 -13.088 3.003 1.00 0.00 O ATOM 868 CB LYS A 60 -10.411 -9.894 1.667 1.00 0.00 C ATOM 869 CG LYS A 60 -11.916 -9.740 1.527 1.00 0.00 C ATOM 870 CD LYS A 60 -12.431 -8.548 2.316 1.00 0.00 C ATOM 871 CE LYS A 60 -13.673 -7.950 1.675 1.00 0.00 C ATOM 872 NZ LYS A 60 -14.864 -8.828 1.846 1.00 0.00 N ATOM 0 H LYS A 60 -7.933 -10.408 2.704 1.00 0.00 H new ATOM 0 HA LYS A 60 -10.730 -10.671 3.646 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.962 -8.907 1.781 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -10.011 -10.322 0.748 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.174 -9.620 0.475 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -12.409 -10.648 1.874 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -12.660 -8.857 3.336 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.652 -7.789 2.380 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -13.875 -6.974 2.116 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -13.491 -7.788 0.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -15.690 -8.385 1.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -14.681 -9.751 1.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -15.054 -8.962 2.860 1.00 0.00 H new ATOM 886 N CYS A 61 -9.145 -12.514 1.391 1.00 0.00 N ATOM 887 CA CYS A 61 -9.004 -13.872 0.881 1.00 0.00 C ATOM 888 C CYS A 61 -7.752 -14.538 1.444 1.00 0.00 C ATOM 889 O CYS A 61 -7.521 -15.728 1.233 1.00 0.00 O ATOM 890 CB CYS A 61 -8.947 -13.862 -0.648 1.00 0.00 C ATOM 891 SG CYS A 61 -7.629 -12.809 -1.335 1.00 0.00 S ATOM 0 H CYS A 61 -8.588 -11.818 0.896 1.00 0.00 H new ATOM 0 HA CYS A 61 -9.874 -14.445 1.201 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -8.804 -14.883 -1.002 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -9.908 -13.522 -1.035 1.00 0.00 H new ATOM 0 HG CYS A 61 -7.992 -12.365 -2.502 1.00 0.00 H new ATOM 896 N SER A 62 -6.947 -13.760 2.161 1.00 0.00 N ATOM 897 CA SER A 62 -5.716 -14.273 2.752 1.00 0.00 C ATOM 898 C SER A 62 -4.761 -14.770 1.671 1.00 0.00 C ATOM 899 O SER A 62 -4.182 -15.851 1.787 1.00 0.00 O ATOM 900 CB SER A 62 -6.029 -15.405 3.733 1.00 0.00 C ATOM 901 OG SER A 62 -6.474 -14.893 4.977 1.00 0.00 O ATOM 0 H SER A 62 -7.125 -12.773 2.347 1.00 0.00 H new ATOM 0 HA SER A 62 -5.234 -13.458 3.292 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.794 -16.056 3.310 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.139 -16.015 3.885 1.00 0.00 H new ATOM 0 HG SER A 62 -6.669 -15.636 5.586 1.00 0.00 H new ATOM 907 N HIS A 63 -4.601 -13.973 0.619 1.00 0.00 N ATOM 908 CA HIS A 63 -3.716 -14.331 -0.483 1.00 0.00 C ATOM 909 C HIS A 63 -2.477 -13.440 -0.496 1.00 0.00 C ATOM 910 O HIS A 63 -2.576 -12.226 -0.666 1.00 0.00 O ATOM 911 CB HIS A 63 -4.455 -14.216 -1.817 1.00 0.00 C ATOM 912 CG HIS A 63 -5.412 -15.340 -2.070 1.00 0.00 C ATOM 913 ND1 HIS A 63 -6.032 -15.541 -3.285 1.00 0.00 N ATOM 914 CD2 HIS A 63 -5.853 -16.328 -1.256 1.00 0.00 C ATOM 915 CE1 HIS A 63 -6.814 -16.603 -3.208 1.00 0.00 C ATOM 916 NE2 HIS A 63 -6.723 -17.099 -1.987 1.00 0.00 N ATOM 0 H HIS A 63 -5.073 -13.076 0.507 1.00 0.00 H new ATOM 0 HA HIS A 63 -3.398 -15.364 -0.340 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -5.001 -13.273 -1.841 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -3.725 -14.182 -2.626 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -5.573 -16.481 -0.224 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -7.424 -16.998 -4.007 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -7.219 -17.921 -1.643 1.00 0.00 H new ATOM 924 N ALA A 64 -1.312 -14.053 -0.315 1.00 0.00 N ATOM 925 CA ALA A 64 -0.054 -13.316 -0.307 1.00 0.00 C ATOM 926 C ALA A 64 0.235 -12.709 -1.676 1.00 0.00 C ATOM 927 O ALA A 64 0.041 -13.355 -2.706 1.00 0.00 O ATOM 928 CB ALA A 64 1.088 -14.226 0.121 1.00 0.00 C ATOM 0 H ALA A 64 -1.213 -15.058 -0.172 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.143 -12.501 0.411 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.021 -13.663 0.122 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.893 -14.608 1.123 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.169 -15.060 -0.576 1.00 0.00 H new ATOM 934 N PHE A 65 0.698 -11.464 -1.680 1.00 0.00 N ATOM 935 CA PHE A 65 1.013 -10.769 -2.923 1.00 0.00 C ATOM 936 C PHE A 65 2.069 -9.692 -2.692 1.00 0.00 C ATOM 937 O PHE A 65 1.967 -8.897 -1.757 1.00 0.00 O ATOM 938 CB PHE A 65 -0.251 -10.141 -3.514 1.00 0.00 C ATOM 939 CG PHE A 65 -1.014 -11.067 -4.417 1.00 0.00 C ATOM 940 CD1 PHE A 65 -0.604 -11.275 -5.724 1.00 0.00 C ATOM 941 CD2 PHE A 65 -2.142 -11.729 -3.960 1.00 0.00 C ATOM 942 CE1 PHE A 65 -1.304 -12.127 -6.558 1.00 0.00 C ATOM 943 CE2 PHE A 65 -2.846 -12.582 -4.789 1.00 0.00 C ATOM 944 CZ PHE A 65 -2.427 -12.781 -6.090 1.00 0.00 C ATOM 0 H PHE A 65 0.864 -10.915 -0.836 1.00 0.00 H new ATOM 0 HA PHE A 65 1.412 -11.499 -3.627 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -0.902 -9.821 -2.701 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.024 -9.247 -4.073 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.273 -10.766 -6.096 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.475 -11.577 -2.944 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.973 -12.281 -7.574 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -3.723 -13.093 -4.420 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.976 -13.446 -6.740 1.00 0.00 H new ATOM 954 N HIS A 66 3.084 -9.673 -3.550 1.00 0.00 N ATOM 955 CA HIS A 66 4.160 -8.695 -3.441 1.00 0.00 C ATOM 956 C HIS A 66 3.599 -7.292 -3.223 1.00 0.00 C ATOM 957 O HIS A 66 3.116 -6.654 -4.159 1.00 0.00 O ATOM 958 CB HIS A 66 5.030 -8.719 -4.698 1.00 0.00 C ATOM 959 CG HIS A 66 5.902 -9.932 -4.799 1.00 0.00 C ATOM 960 ND1 HIS A 66 5.583 -11.026 -5.576 1.00 0.00 N ATOM 961 CD2 HIS A 66 7.089 -10.220 -4.216 1.00 0.00 C ATOM 962 CE1 HIS A 66 6.535 -11.934 -5.466 1.00 0.00 C ATOM 963 NE2 HIS A 66 7.462 -11.470 -4.647 1.00 0.00 N ATOM 0 H HIS A 66 3.184 -10.324 -4.329 1.00 0.00 H new ATOM 0 HA HIS A 66 4.773 -8.961 -2.580 1.00 0.00 H new ATOM 0 HB2 HIS A 66 4.386 -8.670 -5.576 1.00 0.00 H new ATOM 0 HB3 HIS A 66 5.658 -7.828 -4.713 1.00 0.00 H new ATOM 0 HD1 HIS A 66 4.743 -11.119 -6.147 1.00 0.00 H new ATOM 0 HD2 HIS A 66 7.640 -9.585 -3.538 1.00 0.00 H new ATOM 0 HE1 HIS A 66 6.553 -12.893 -5.962 1.00 0.00 H new ATOM 971 N LEU A 67 3.665 -6.820 -1.983 1.00 0.00 N ATOM 972 CA LEU A 67 3.163 -5.493 -1.642 1.00 0.00 C ATOM 973 C LEU A 67 3.430 -4.503 -2.772 1.00 0.00 C ATOM 974 O LEU A 67 2.650 -3.577 -2.997 1.00 0.00 O ATOM 975 CB LEU A 67 3.813 -4.997 -0.350 1.00 0.00 C ATOM 976 CG LEU A 67 3.628 -5.888 0.879 1.00 0.00 C ATOM 977 CD1 LEU A 67 4.270 -5.251 2.102 1.00 0.00 C ATOM 978 CD2 LEU A 67 2.150 -6.153 1.128 1.00 0.00 C ATOM 0 H LEU A 67 4.061 -7.336 -1.197 1.00 0.00 H new ATOM 0 HA LEU A 67 2.085 -5.566 -1.494 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.881 -4.875 -0.528 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.413 -4.009 -0.121 1.00 0.00 H new ATOM 0 HG LEU A 67 4.121 -6.841 0.690 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.128 -5.899 2.967 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.336 -5.113 1.923 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.806 -4.283 2.294 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.037 -6.789 2.006 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.634 -5.208 1.296 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.719 -6.653 0.261 1.00 0.00 H new ATOM 990 N LEU A 68 4.535 -4.706 -3.480 1.00 0.00 N ATOM 991 CA LEU A 68 4.904 -3.833 -4.589 1.00 0.00 C ATOM 992 C LEU A 68 4.037 -4.110 -5.813 1.00 0.00 C ATOM 993 O LEU A 68 3.502 -3.189 -6.430 1.00 0.00 O ATOM 994 CB LEU A 68 6.380 -4.021 -4.942 1.00 0.00 C ATOM 995 CG LEU A 68 7.022 -2.901 -5.763 1.00 0.00 C ATOM 996 CD1 LEU A 68 7.180 -1.645 -4.921 1.00 0.00 C ATOM 997 CD2 LEU A 68 8.367 -3.349 -6.315 1.00 0.00 C ATOM 0 H LEU A 68 5.191 -5.467 -3.306 1.00 0.00 H new ATOM 0 HA LEU A 68 4.740 -2.802 -4.277 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.943 -4.134 -4.015 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.485 -4.955 -5.494 1.00 0.00 H new ATOM 0 HG LEU A 68 6.366 -2.670 -6.602 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.638 -0.859 -5.522 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.201 -1.313 -4.575 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.814 -1.861 -4.061 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.809 -2.540 -6.896 1.00 0.00 H new ATOM 0 HD22 LEU A 68 9.031 -3.608 -5.490 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.226 -4.220 -6.955 1.00 0.00 H new ATOM 1009 N CYS A 69 3.901 -5.386 -6.158 1.00 0.00 N ATOM 1010 CA CYS A 69 3.098 -5.787 -7.307 1.00 0.00 C ATOM 1011 C CYS A 69 1.677 -5.241 -7.194 1.00 0.00 C ATOM 1012 O CYS A 69 1.166 -4.612 -8.122 1.00 0.00 O ATOM 1013 CB CYS A 69 3.062 -7.312 -7.424 1.00 0.00 C ATOM 1014 SG CYS A 69 4.602 -8.044 -8.066 1.00 0.00 S ATOM 0 H CYS A 69 4.337 -6.161 -5.658 1.00 0.00 H new ATOM 0 HA CYS A 69 3.559 -5.372 -8.203 1.00 0.00 H new ATOM 0 HB2 CYS A 69 2.852 -7.736 -6.442 1.00 0.00 H new ATOM 0 HB3 CYS A 69 2.237 -7.596 -8.077 1.00 0.00 H new ATOM 0 HG CYS A 69 5.554 -7.160 -8.021 1.00 0.00 H new ATOM 1019 N LEU A 70 1.045 -5.485 -6.052 1.00 0.00 N ATOM 1020 CA LEU A 70 -0.317 -5.019 -5.816 1.00 0.00 C ATOM 1021 C LEU A 70 -0.455 -3.541 -6.169 1.00 0.00 C ATOM 1022 O LEU A 70 -1.394 -3.141 -6.858 1.00 0.00 O ATOM 1023 CB LEU A 70 -0.710 -5.245 -4.355 1.00 0.00 C ATOM 1024 CG LEU A 70 -0.876 -6.702 -3.923 1.00 0.00 C ATOM 1025 CD1 LEU A 70 -1.038 -6.796 -2.414 1.00 0.00 C ATOM 1026 CD2 LEU A 70 -2.066 -7.335 -4.630 1.00 0.00 C ATOM 0 H LEU A 70 1.454 -6.003 -5.274 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.987 -5.592 -6.458 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.046 -4.783 -3.720 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.648 -4.722 -4.167 1.00 0.00 H new ATOM 0 HG LEU A 70 0.023 -7.250 -4.206 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.155 -7.840 -2.125 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.156 -6.381 -1.927 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.920 -6.234 -2.107 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.169 -8.372 -4.311 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.973 -6.786 -4.378 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.909 -7.301 -5.708 1.00 0.00 H new ATOM 1038 N LEU A 71 0.488 -2.734 -5.693 1.00 0.00 N ATOM 1039 CA LEU A 71 0.473 -1.300 -5.960 1.00 0.00 C ATOM 1040 C LEU A 71 0.539 -1.024 -7.458 1.00 0.00 C ATOM 1041 O LEU A 71 -0.253 -0.249 -7.992 1.00 0.00 O ATOM 1042 CB LEU A 71 1.646 -0.618 -5.252 1.00 0.00 C ATOM 1043 CG LEU A 71 1.780 0.888 -5.475 1.00 0.00 C ATOM 1044 CD1 LEU A 71 0.998 1.656 -4.420 1.00 0.00 C ATOM 1045 CD2 LEU A 71 3.244 1.301 -5.461 1.00 0.00 C ATOM 0 H LEU A 71 1.272 -3.048 -5.121 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.462 -0.893 -5.576 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.553 -0.800 -4.181 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.569 -1.097 -5.578 1.00 0.00 H new ATOM 0 HG LEU A 71 1.364 1.129 -6.453 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.105 2.726 -4.595 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.056 1.383 -4.477 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.383 1.410 -3.431 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.320 2.376 -5.621 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.685 1.046 -4.497 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.777 0.777 -6.254 1.00 0.00 H new ATOM 1057 N ALA A 72 1.488 -1.666 -8.132 1.00 0.00 N ATOM 1058 CA ALA A 72 1.655 -1.493 -9.570 1.00 0.00 C ATOM 1059 C ALA A 72 0.353 -1.779 -10.311 1.00 0.00 C ATOM 1060 O ALA A 72 -0.172 -0.919 -11.017 1.00 0.00 O ATOM 1061 CB ALA A 72 2.767 -2.394 -10.084 1.00 0.00 C ATOM 0 H ALA A 72 2.153 -2.311 -7.705 1.00 0.00 H new ATOM 0 HA ALA A 72 1.929 -0.455 -9.758 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.881 -2.254 -11.159 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.702 -2.140 -9.584 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.517 -3.435 -9.878 1.00 0.00 H new ATOM 1067 N MET A 73 -0.160 -2.994 -10.148 1.00 0.00 N ATOM 1068 CA MET A 73 -1.401 -3.393 -10.802 1.00 0.00 C ATOM 1069 C MET A 73 -2.510 -2.383 -10.527 1.00 0.00 C ATOM 1070 O MET A 73 -3.271 -2.022 -11.425 1.00 0.00 O ATOM 1071 CB MET A 73 -1.831 -4.782 -10.325 1.00 0.00 C ATOM 1072 CG MET A 73 -3.041 -5.330 -11.062 1.00 0.00 C ATOM 1073 SD MET A 73 -4.599 -4.723 -10.387 1.00 0.00 S ATOM 1074 CE MET A 73 -4.462 -5.260 -8.684 1.00 0.00 C ATOM 0 H MET A 73 0.264 -3.719 -9.569 1.00 0.00 H new ATOM 0 HA MET A 73 -1.221 -3.425 -11.877 1.00 0.00 H new ATOM 0 HB2 MET A 73 -0.997 -5.473 -10.448 1.00 0.00 H new ATOM 0 HB3 MET A 73 -2.054 -4.738 -9.259 1.00 0.00 H new ATOM 0 HG2 MET A 73 -2.975 -5.057 -12.115 1.00 0.00 H new ATOM 0 HG3 MET A 73 -3.028 -6.419 -11.014 1.00 0.00 H new ATOM 0 HE1 MET A 73 -5.458 -5.372 -8.257 1.00 0.00 H new ATOM 0 HE2 MET A 73 -3.941 -6.216 -8.645 1.00 0.00 H new ATOM 0 HE3 MET A 73 -3.904 -4.519 -8.113 1.00 0.00 H new ATOM 1084 N TYR A 74 -2.596 -1.930 -9.281 1.00 0.00 N ATOM 1085 CA TYR A 74 -3.614 -0.963 -8.888 1.00 0.00 C ATOM 1086 C TYR A 74 -3.515 0.306 -9.730 1.00 0.00 C ATOM 1087 O TYR A 74 -4.528 0.909 -10.085 1.00 0.00 O ATOM 1088 CB TYR A 74 -3.472 -0.616 -7.405 1.00 0.00 C ATOM 1089 CG TYR A 74 -4.204 0.645 -7.006 1.00 0.00 C ATOM 1090 CD1 TYR A 74 -3.761 1.893 -7.427 1.00 0.00 C ATOM 1091 CD2 TYR A 74 -5.340 0.589 -6.207 1.00 0.00 C ATOM 1092 CE1 TYR A 74 -4.427 3.048 -7.064 1.00 0.00 C ATOM 1093 CE2 TYR A 74 -6.012 1.739 -5.840 1.00 0.00 C ATOM 1094 CZ TYR A 74 -5.552 2.965 -6.270 1.00 0.00 C ATOM 1095 OH TYR A 74 -6.218 4.113 -5.907 1.00 0.00 O ATOM 0 H TYR A 74 -1.973 -2.217 -8.526 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.592 -1.414 -9.057 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -3.846 -1.448 -6.808 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -2.414 -0.503 -7.166 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -2.881 1.961 -8.049 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.703 -0.370 -5.867 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -4.069 4.010 -7.400 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -6.894 1.678 -5.219 1.00 0.00 H new ATOM 0 HH TYR A 74 -7.182 3.937 -5.880 1.00 0.00 H new ATOM 1105 N CYS A 75 -2.288 0.703 -10.047 1.00 0.00 N ATOM 1106 CA CYS A 75 -2.054 1.899 -10.848 1.00 0.00 C ATOM 1107 C CYS A 75 -2.554 1.704 -12.276 1.00 0.00 C ATOM 1108 O CYS A 75 -3.178 2.594 -12.852 1.00 0.00 O ATOM 1109 CB CYS A 75 -0.565 2.248 -10.859 1.00 0.00 C ATOM 1110 SG CYS A 75 -0.151 3.686 -11.875 1.00 0.00 S ATOM 0 H CYS A 75 -1.440 0.214 -9.762 1.00 0.00 H new ATOM 0 HA CYS A 75 -2.609 2.722 -10.398 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -0.239 2.434 -9.836 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -0.004 1.387 -11.221 1.00 0.00 H new ATOM 0 HG CYS A 75 1.130 3.903 -11.819 1.00 0.00 H new ATOM 1185 N GLY A 81 -9.517 4.276 -5.604 1.00 0.00 N ATOM 1186 CA GLY A 81 -9.701 3.703 -4.283 1.00 0.00 C ATOM 1187 C GLY A 81 -10.371 2.344 -4.329 1.00 0.00 C ATOM 1188 O GLY A 81 -11.498 2.184 -3.860 1.00 0.00 O ATOM 0 HA2 GLY A 81 -8.732 3.611 -3.792 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.302 4.381 -3.677 1.00 0.00 H new ATOM 1192 N SER A 82 -9.677 1.363 -4.897 1.00 0.00 N ATOM 1193 CA SER A 82 -10.214 0.011 -5.008 1.00 0.00 C ATOM 1194 C SER A 82 -9.125 -0.974 -5.419 1.00 0.00 C ATOM 1195 O SER A 82 -8.380 -0.734 -6.370 1.00 0.00 O ATOM 1196 CB SER A 82 -11.359 -0.024 -6.023 1.00 0.00 C ATOM 1197 OG SER A 82 -10.946 0.498 -7.275 1.00 0.00 O ATOM 0 H SER A 82 -8.742 1.479 -5.287 1.00 0.00 H new ATOM 0 HA SER A 82 -10.595 -0.283 -4.030 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.706 -1.050 -6.149 1.00 0.00 H new ATOM 0 HB3 SER A 82 -12.202 0.554 -5.645 1.00 0.00 H new ATOM 0 HG SER A 82 -10.008 0.264 -7.433 1.00 0.00 H new ATOM 1203 N LEU A 83 -9.037 -2.084 -4.695 1.00 0.00 N ATOM 1204 CA LEU A 83 -8.038 -3.108 -4.982 1.00 0.00 C ATOM 1205 C LEU A 83 -8.689 -4.481 -5.116 1.00 0.00 C ATOM 1206 O LEU A 83 -9.264 -5.001 -4.160 1.00 0.00 O ATOM 1207 CB LEU A 83 -6.978 -3.139 -3.880 1.00 0.00 C ATOM 1208 CG LEU A 83 -5.652 -3.807 -4.242 1.00 0.00 C ATOM 1209 CD1 LEU A 83 -5.876 -5.257 -4.642 1.00 0.00 C ATOM 1210 CD2 LEU A 83 -4.959 -3.045 -5.362 1.00 0.00 C ATOM 0 H LEU A 83 -9.645 -2.298 -3.905 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.560 -2.858 -5.929 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.773 -2.114 -3.572 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -7.397 -3.654 -3.015 1.00 0.00 H new ATOM 0 HG LEU A 83 -5.007 -3.789 -3.363 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.921 -5.716 -4.896 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.329 -5.798 -3.811 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.539 -5.298 -5.506 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.017 -3.535 -5.607 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -5.600 -3.031 -6.243 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -4.763 -2.022 -5.039 1.00 0.00 H new ATOM 1222 N GLN A 84 -8.593 -5.063 -6.307 1.00 0.00 N ATOM 1223 CA GLN A 84 -9.171 -6.377 -6.564 1.00 0.00 C ATOM 1224 C GLN A 84 -8.079 -7.420 -6.776 1.00 0.00 C ATOM 1225 O GLN A 84 -7.177 -7.232 -7.593 1.00 0.00 O ATOM 1226 CB GLN A 84 -10.087 -6.323 -7.788 1.00 0.00 C ATOM 1227 CG GLN A 84 -10.898 -7.591 -7.997 1.00 0.00 C ATOM 1228 CD GLN A 84 -11.690 -7.572 -9.290 1.00 0.00 C ATOM 1229 OE1 GLN A 84 -11.754 -6.551 -9.976 1.00 0.00 O ATOM 1230 NE2 GLN A 84 -12.298 -8.702 -9.629 1.00 0.00 N ATOM 0 H GLN A 84 -8.121 -4.646 -7.109 1.00 0.00 H new ATOM 0 HA GLN A 84 -9.758 -6.665 -5.692 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -10.769 -5.479 -7.684 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -9.483 -6.138 -8.676 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -10.227 -8.450 -7.999 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -11.582 -7.722 -7.159 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -12.218 -9.524 -9.030 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -12.846 -8.749 -10.488 1.00 0.00 H new ATOM 1239 N CYS A 85 -8.167 -8.520 -6.036 1.00 0.00 N ATOM 1240 CA CYS A 85 -7.187 -9.594 -6.142 1.00 0.00 C ATOM 1241 C CYS A 85 -7.254 -10.259 -7.514 1.00 0.00 C ATOM 1242 O CYS A 85 -8.287 -10.787 -7.925 1.00 0.00 O ATOM 1243 CB CYS A 85 -7.420 -10.636 -5.046 1.00 0.00 C ATOM 1244 SG CYS A 85 -6.104 -11.889 -4.919 1.00 0.00 S ATOM 0 H CYS A 85 -8.908 -8.691 -5.356 1.00 0.00 H new ATOM 0 HA CYS A 85 -6.195 -9.160 -6.016 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -7.514 -10.125 -4.088 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -8.369 -11.139 -5.233 1.00 0.00 H new ATOM 0 HG CYS A 85 -4.944 -11.302 -4.917 1.00 0.00 H new ATOM 1249 N PRO A 86 -6.126 -10.233 -8.240 1.00 0.00 N ATOM 1250 CA PRO A 86 -6.031 -10.828 -9.576 1.00 0.00 C ATOM 1251 C PRO A 86 -6.086 -12.352 -9.536 1.00 0.00 C ATOM 1252 O PRO A 86 -5.935 -13.015 -10.562 1.00 0.00 O ATOM 1253 CB PRO A 86 -4.665 -10.356 -10.078 1.00 0.00 C ATOM 1254 CG PRO A 86 -3.873 -10.102 -8.842 1.00 0.00 C ATOM 1255 CD PRO A 86 -4.858 -9.620 -7.812 1.00 0.00 C ATOM 0 HA PRO A 86 -6.862 -10.530 -10.216 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -4.191 -11.112 -10.704 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -4.756 -9.453 -10.682 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -3.370 -11.009 -8.507 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -3.099 -9.356 -9.021 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -4.577 -9.937 -6.808 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -4.923 -8.532 -7.796 1.00 0.00 H new ATOM 1263 N SER A 87 -6.305 -12.901 -8.346 1.00 0.00 N ATOM 1264 CA SER A 87 -6.377 -14.347 -8.172 1.00 0.00 C ATOM 1265 C SER A 87 -7.817 -14.795 -7.942 1.00 0.00 C ATOM 1266 O SER A 87 -8.405 -15.487 -8.774 1.00 0.00 O ATOM 1267 CB SER A 87 -5.500 -14.785 -6.998 1.00 0.00 C ATOM 1268 OG SER A 87 -4.214 -15.182 -7.442 1.00 0.00 O ATOM 0 H SER A 87 -6.436 -12.366 -7.487 1.00 0.00 H new ATOM 0 HA SER A 87 -6.010 -14.817 -9.085 1.00 0.00 H new ATOM 0 HB2 SER A 87 -5.405 -13.966 -6.285 1.00 0.00 H new ATOM 0 HB3 SER A 87 -5.978 -15.611 -6.472 1.00 0.00 H new ATOM 0 HG SER A 87 -3.672 -15.456 -6.673 1.00 0.00 H new ATOM 1274 N CYS A 88 -8.379 -14.396 -6.806 1.00 0.00 N ATOM 1275 CA CYS A 88 -9.750 -14.756 -6.463 1.00 0.00 C ATOM 1276 C CYS A 88 -10.738 -13.747 -7.041 1.00 0.00 C ATOM 1277 O CYS A 88 -11.945 -13.987 -7.066 1.00 0.00 O ATOM 1278 CB CYS A 88 -9.914 -14.834 -4.944 1.00 0.00 C ATOM 1279 SG CYS A 88 -9.303 -13.367 -4.053 1.00 0.00 S ATOM 0 H CYS A 88 -7.906 -13.823 -6.107 1.00 0.00 H new ATOM 0 HA CYS A 88 -9.962 -15.734 -6.895 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -10.969 -14.974 -4.710 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -9.386 -15.714 -4.577 1.00 0.00 H new ATOM 0 HG CYS A 88 -8.583 -13.744 -3.038 1.00 0.00 H new ATOM 1284 N LYS A 89 -10.217 -12.617 -7.506 1.00 0.00 N ATOM 1285 CA LYS A 89 -11.051 -11.571 -8.086 1.00 0.00 C ATOM 1286 C LYS A 89 -11.992 -10.983 -7.039 1.00 0.00 C ATOM 1287 O LYS A 89 -13.185 -10.809 -7.290 1.00 0.00 O ATOM 1288 CB LYS A 89 -11.859 -12.127 -9.260 1.00 0.00 C ATOM 1289 CG LYS A 89 -11.003 -12.765 -10.340 1.00 0.00 C ATOM 1290 CD LYS A 89 -10.202 -11.724 -11.104 1.00 0.00 C ATOM 1291 CE LYS A 89 -9.533 -12.325 -12.331 1.00 0.00 C ATOM 1292 NZ LYS A 89 -10.531 -12.789 -13.335 1.00 0.00 N ATOM 0 H LYS A 89 -9.220 -12.402 -7.493 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.397 -10.777 -8.447 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -12.567 -12.866 -8.885 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -12.444 -11.321 -9.701 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -10.324 -13.488 -9.888 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -11.640 -13.316 -11.032 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -10.859 -10.910 -11.409 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -9.444 -11.294 -10.449 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -8.877 -11.584 -12.787 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -8.905 -13.163 -12.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -10.067 -12.904 -14.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -10.930 -13.700 -13.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -11.294 -12.087 -13.417 1.00 0.00 H new ATOM 1306 N THR A 90 -11.448 -10.677 -5.865 1.00 0.00 N ATOM 1307 CA THR A 90 -12.239 -10.109 -4.781 1.00 0.00 C ATOM 1308 C THR A 90 -11.898 -8.639 -4.563 1.00 0.00 C ATOM 1309 O THR A 90 -10.739 -8.289 -4.335 1.00 0.00 O ATOM 1310 CB THR A 90 -12.021 -10.876 -3.464 1.00 0.00 C ATOM 1311 OG1 THR A 90 -12.548 -12.202 -3.576 1.00 0.00 O ATOM 1312 CG2 THR A 90 -12.687 -10.156 -2.301 1.00 0.00 C ATOM 0 H THR A 90 -10.462 -10.813 -5.641 1.00 0.00 H new ATOM 0 HA THR A 90 -13.285 -10.197 -5.074 1.00 0.00 H new ATOM 0 HB THR A 90 -10.949 -10.927 -3.273 1.00 0.00 H new ATOM 0 HG1 THR A 90 -11.817 -12.831 -3.747 1.00 0.00 H new ATOM 0 HG21 THR A 90 -12.519 -10.717 -1.382 1.00 0.00 H new ATOM 0 HG22 THR A 90 -12.262 -9.158 -2.200 1.00 0.00 H new ATOM 0 HG23 THR A 90 -13.758 -10.077 -2.487 1.00 0.00 H new ATOM 1320 N ILE A 91 -12.912 -7.784 -4.634 1.00 0.00 N ATOM 1321 CA ILE A 91 -12.718 -6.352 -4.442 1.00 0.00 C ATOM 1322 C ILE A 91 -12.667 -5.998 -2.960 1.00 0.00 C ATOM 1323 O ILE A 91 -13.327 -6.632 -2.136 1.00 0.00 O ATOM 1324 CB ILE A 91 -13.838 -5.537 -5.115 1.00 0.00 C ATOM 1325 CG1 ILE A 91 -13.930 -5.886 -6.602 1.00 0.00 C ATOM 1326 CG2 ILE A 91 -13.593 -4.047 -4.930 1.00 0.00 C ATOM 1327 CD1 ILE A 91 -14.945 -6.966 -6.907 1.00 0.00 C ATOM 0 H ILE A 91 -13.876 -8.058 -4.823 1.00 0.00 H new ATOM 0 HA ILE A 91 -11.765 -6.098 -4.907 1.00 0.00 H new ATOM 0 HB ILE A 91 -14.786 -5.791 -4.642 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -14.188 -4.987 -7.163 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -12.950 -6.210 -6.952 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -14.393 -3.484 -5.411 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -13.572 -3.811 -3.866 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -12.638 -3.777 -5.380 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -14.957 -7.162 -7.979 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -14.677 -7.878 -6.374 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -15.934 -6.637 -6.588 1.00 0.00 H new ATOM 1339 N TYR A 92 -11.881 -4.980 -2.627 1.00 0.00 N ATOM 1340 CA TYR A 92 -11.744 -4.541 -1.243 1.00 0.00 C ATOM 1341 C TYR A 92 -12.300 -3.132 -1.061 1.00 0.00 C ATOM 1342 O TYR A 92 -12.917 -2.823 -0.042 1.00 0.00 O ATOM 1343 CB TYR A 92 -10.275 -4.581 -0.817 1.00 0.00 C ATOM 1344 CG TYR A 92 -9.696 -5.977 -0.770 1.00 0.00 C ATOM 1345 CD1 TYR A 92 -9.749 -6.810 -1.880 1.00 0.00 C ATOM 1346 CD2 TYR A 92 -9.097 -6.462 0.386 1.00 0.00 C ATOM 1347 CE1 TYR A 92 -9.222 -8.086 -1.841 1.00 0.00 C ATOM 1348 CE2 TYR A 92 -8.565 -7.737 0.433 1.00 0.00 C ATOM 1349 CZ TYR A 92 -8.631 -8.545 -0.683 1.00 0.00 C ATOM 1350 OH TYR A 92 -8.104 -9.815 -0.639 1.00 0.00 O ATOM 0 H TYR A 92 -11.329 -4.443 -3.296 1.00 0.00 H new ATOM 0 HA TYR A 92 -12.317 -5.222 -0.614 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -9.688 -3.976 -1.509 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -10.178 -4.123 0.167 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.210 -6.454 -2.789 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -9.046 -5.833 1.262 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -9.273 -8.721 -2.713 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -8.100 -8.098 1.338 1.00 0.00 H new ATOM 0 HH TYR A 92 -8.552 -10.378 -1.304 1.00 0.00 H new