USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 739 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 12 HIS : no HD1:sc= -4.95! C(o=-18!,f=-30!) USER MOD Set 1.2: A 72 SER OG : rot -100:sc= -0.0153 USER MOD Set 1.3: A 109 THR OG1 : rot 84:sc= -0.793 USER MOD Set 1.4: A 114 HIS : no HD1:sc= -12.1! C(o=-18!,f=-31!) USER MOD Set 2.1: A 7 GLN : amide:sc= 0.844 X(o=1.8,f=1.5) USER MOD Set 2.2: A 81 SER OG : rot 94:sc= 0.931 USER MOD Single : A 9 LYS NZ :NH3+ -139:sc= -0.488 (180deg=-1.98) USER MOD Single : A 11 SER OG : rot 120:sc= -2.42! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 HIS : no HD1:sc= -8.68! C(o=-8.7!,f=-9.7!) USER MOD Single : A 18 GLN : amide:sc= -0.453 K(o=-0.45,f=-3.6!) USER MOD Single : A 37 THR OG1 : rot 33:sc= 0.0298 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0032 USER MOD Single : A 45 GLN : amide:sc= -3.15! C(o=-3.2!,f=-8.7!) USER MOD Single : A 47 LYS NZ :NH3+ -117:sc= 0.331 (180deg=-0.167) USER MOD Single : A 48 SER OG : rot 180:sc= -0.137 USER MOD Single : A 55 SER OG : rot 180:sc= -0.627 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -2.05! C(o=-2.1!,f=-8.2!) USER MOD Single : A 65 THR OG1 : rot 86:sc= -3.91! USER MOD Single : A 68 SER OG : rot -110:sc= -3.22! USER MOD Single : A 70 CYS SG : rot 180:sc= -0.731 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -0.447 X(o=-0.45,f=-0.022) USER MOD Single : A 87 MET CE :methyl -178:sc= -14.2! (180deg=-14.4!) USER MOD Single : A 88 GLN : amide:sc= -1.41 K(o=-1.4,f=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 113:sc= -1.34! USER MOD Single : A 96 TYR OH : rot 30:sc= -0.523 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot -51:sc= 1.14 USER MOD Single : A 111 SER OG : rot -140:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ -171:sc= 0.142 (180deg=0.119) USER MOD Single : A 119 THR OG1 : rot 180:sc= -0.702 USER MOD ----------------------------------------------------------------- ATOM 92 N GLN A 7 17.357 6.949 3.634 1.00 0.00 N ATOM 93 CA GLN A 7 15.936 6.983 3.190 1.00 0.00 C ATOM 94 C GLN A 7 15.527 5.620 2.631 1.00 0.00 C ATOM 95 O GLN A 7 16.346 4.743 2.440 1.00 0.00 O ATOM 96 CB GLN A 7 15.887 8.049 2.095 1.00 0.00 C ATOM 97 CG GLN A 7 14.679 8.961 2.324 1.00 0.00 C ATOM 98 CD GLN A 7 15.009 10.374 1.838 1.00 0.00 C ATOM 99 OE1 GLN A 7 14.447 10.842 0.868 1.00 0.00 O ATOM 100 NE2 GLN A 7 15.903 11.080 2.476 1.00 0.00 N ATOM 0 HA GLN A 7 15.252 7.210 4.008 1.00 0.00 H new ATOM 0 HB2 GLN A 7 16.806 8.636 2.102 1.00 0.00 H new ATOM 0 HB3 GLN A 7 15.819 7.576 1.115 1.00 0.00 H new ATOM 0 HG2 GLN A 7 13.811 8.574 1.790 1.00 0.00 H new ATOM 0 HG3 GLN A 7 14.419 8.980 3.382 1.00 0.00 H new ATOM 0 HE21 GLN A 7 16.376 10.688 3.291 1.00 0.00 H new ATOM 0 HE22 GLN A 7 16.129 12.023 2.160 1.00 0.00 H new ATOM 109 N VAL A 8 14.265 5.435 2.369 1.00 0.00 N ATOM 110 CA VAL A 8 13.799 4.130 1.825 1.00 0.00 C ATOM 111 C VAL A 8 12.778 4.361 0.712 1.00 0.00 C ATOM 112 O VAL A 8 11.609 4.574 0.966 1.00 0.00 O ATOM 113 CB VAL A 8 13.142 3.418 3.009 1.00 0.00 C ATOM 114 CG1 VAL A 8 12.244 4.403 3.759 1.00 0.00 C ATOM 115 CG2 VAL A 8 12.295 2.250 2.499 1.00 0.00 C ATOM 0 H VAL A 8 13.534 6.133 2.508 1.00 0.00 H new ATOM 0 HA VAL A 8 14.614 3.546 1.398 1.00 0.00 H new ATOM 0 HB VAL A 8 13.915 3.042 3.679 1.00 0.00 H new ATOM 0 HG11 VAL A 8 11.775 3.898 4.603 1.00 0.00 H new ATOM 0 HG12 VAL A 8 12.844 5.237 4.123 1.00 0.00 H new ATOM 0 HG13 VAL A 8 11.473 4.777 3.086 1.00 0.00 H new ATOM 0 HG21 VAL A 8 11.828 1.744 3.343 1.00 0.00 H new ATOM 0 HG22 VAL A 8 11.522 2.626 1.829 1.00 0.00 H new ATOM 0 HG23 VAL A 8 12.931 1.547 1.961 1.00 0.00 H new ATOM 125 N LYS A 9 13.202 4.319 -0.521 1.00 0.00 N ATOM 126 CA LYS A 9 12.237 4.531 -1.633 1.00 0.00 C ATOM 127 C LYS A 9 11.296 3.330 -1.729 1.00 0.00 C ATOM 128 O LYS A 9 11.621 2.245 -1.288 1.00 0.00 O ATOM 129 CB LYS A 9 13.079 4.649 -2.903 1.00 0.00 C ATOM 130 CG LYS A 9 13.910 5.938 -2.859 1.00 0.00 C ATOM 131 CD LYS A 9 13.792 6.732 -4.176 1.00 0.00 C ATOM 132 CE LYS A 9 13.663 5.798 -5.383 1.00 0.00 C ATOM 133 NZ LYS A 9 14.831 4.876 -5.297 1.00 0.00 N ATOM 0 H LYS A 9 14.167 4.148 -0.804 1.00 0.00 H new ATOM 0 HA LYS A 9 11.626 5.421 -1.480 1.00 0.00 H new ATOM 0 HB2 LYS A 9 13.737 3.785 -2.996 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.432 4.653 -3.780 1.00 0.00 H new ATOM 0 HG2 LYS A 9 13.576 6.559 -2.028 1.00 0.00 H new ATOM 0 HG3 LYS A 9 14.956 5.692 -2.674 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.924 7.390 -4.129 1.00 0.00 H new ATOM 0 HD3 LYS A 9 14.668 7.368 -4.299 1.00 0.00 H new ATOM 0 HE2 LYS A 9 12.724 5.246 -5.354 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.674 6.360 -6.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 15.227 4.728 -6.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 15.557 5.292 -4.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 14.525 3.963 -4.904 1.00 0.00 H new ATOM 147 N ALA A 10 10.135 3.502 -2.298 1.00 0.00 N ATOM 148 CA ALA A 10 9.201 2.340 -2.402 1.00 0.00 C ATOM 149 C ALA A 10 7.860 2.745 -3.008 1.00 0.00 C ATOM 150 O ALA A 10 7.554 3.910 -3.168 1.00 0.00 O ATOM 151 CB ALA A 10 8.988 1.870 -0.963 1.00 0.00 C ATOM 0 H ALA A 10 9.794 4.380 -2.690 1.00 0.00 H new ATOM 0 HA ALA A 10 9.615 1.566 -3.048 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.311 1.016 -0.956 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.945 1.578 -0.530 1.00 0.00 H new ATOM 0 HB3 ALA A 10 8.556 2.680 -0.376 1.00 0.00 H new ATOM 157 N SER A 11 7.048 1.773 -3.317 1.00 0.00 N ATOM 158 CA SER A 11 5.704 2.061 -3.882 1.00 0.00 C ATOM 159 C SER A 11 4.654 1.400 -2.995 1.00 0.00 C ATOM 160 O SER A 11 4.992 0.756 -2.022 1.00 0.00 O ATOM 161 CB SER A 11 5.703 1.441 -5.279 1.00 0.00 C ATOM 162 OG SER A 11 5.400 0.056 -5.177 1.00 0.00 O ATOM 0 H SER A 11 7.262 0.783 -3.200 1.00 0.00 H new ATOM 0 HA SER A 11 5.482 3.127 -3.931 1.00 0.00 H new ATOM 0 HB2 SER A 11 4.968 1.940 -5.911 1.00 0.00 H new ATOM 0 HB3 SER A 11 6.676 1.579 -5.751 1.00 0.00 H new ATOM 0 HG SER A 11 4.584 -0.139 -5.684 1.00 0.00 H new ATOM 168 N HIS A 12 3.388 1.537 -3.292 1.00 0.00 N ATOM 169 CA HIS A 12 2.390 0.876 -2.394 1.00 0.00 C ATOM 170 C HIS A 12 0.940 1.152 -2.825 1.00 0.00 C ATOM 171 O HIS A 12 0.657 2.041 -3.602 1.00 0.00 O ATOM 172 CB HIS A 12 2.703 1.459 -0.996 1.00 0.00 C ATOM 173 CG HIS A 12 1.479 2.072 -0.354 1.00 0.00 C ATOM 174 ND1 HIS A 12 0.723 3.050 -0.982 1.00 0.00 N ATOM 175 CD2 HIS A 12 0.875 1.853 0.858 1.00 0.00 C ATOM 176 CE1 HIS A 12 -0.285 3.378 -0.152 1.00 0.00 C ATOM 177 NE2 HIS A 12 -0.239 2.678 0.984 1.00 0.00 N ATOM 0 H HIS A 12 3.010 2.056 -4.085 1.00 0.00 H new ATOM 0 HA HIS A 12 2.470 -0.211 -2.420 1.00 0.00 H new ATOM 0 HB2 HIS A 12 3.094 0.670 -0.353 1.00 0.00 H new ATOM 0 HB3 HIS A 12 3.484 2.215 -1.084 1.00 0.00 H new ATOM 0 HD2 HIS A 12 1.213 1.147 1.602 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -1.039 4.117 -0.378 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -0.882 2.735 1.774 1.00 0.00 H new ATOM 185 N ILE A 13 0.026 0.384 -2.287 1.00 0.00 N ATOM 186 CA ILE A 13 -1.424 0.563 -2.605 1.00 0.00 C ATOM 187 C ILE A 13 -2.237 0.394 -1.313 1.00 0.00 C ATOM 188 O ILE A 13 -1.697 0.055 -0.282 1.00 0.00 O ATOM 189 CB ILE A 13 -1.762 -0.544 -3.610 1.00 0.00 C ATOM 190 CG1 ILE A 13 -1.019 -0.284 -4.929 1.00 0.00 C ATOM 191 CG2 ILE A 13 -3.269 -0.555 -3.869 1.00 0.00 C ATOM 192 CD1 ILE A 13 -1.688 -1.067 -6.066 1.00 0.00 C ATOM 0 H ILE A 13 0.226 -0.371 -1.631 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.651 1.546 -3.016 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.455 -1.508 -3.204 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.025 0.782 -5.156 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.025 -0.583 -4.834 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.510 -1.342 -4.584 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.798 -0.740 -2.934 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.576 0.409 -4.274 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.157 -0.879 -6.999 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.658 -2.133 -5.840 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.725 -0.746 -6.168 1.00 0.00 H new ATOM 204 N LEU A 14 -3.523 0.626 -1.345 1.00 0.00 N ATOM 205 CA LEU A 14 -4.328 0.469 -0.095 1.00 0.00 C ATOM 206 C LEU A 14 -5.667 -0.220 -0.376 1.00 0.00 C ATOM 207 O LEU A 14 -6.401 0.165 -1.260 1.00 0.00 O ATOM 208 CB LEU A 14 -4.571 1.894 0.407 1.00 0.00 C ATOM 209 CG LEU A 14 -5.558 1.862 1.579 1.00 0.00 C ATOM 210 CD1 LEU A 14 -4.784 1.784 2.896 1.00 0.00 C ATOM 211 CD2 LEU A 14 -6.420 3.130 1.558 1.00 0.00 C ATOM 0 H LEU A 14 -4.047 0.914 -2.171 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.806 -0.150 0.635 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.630 2.345 0.722 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.967 2.512 -0.399 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.203 0.988 1.488 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.486 1.761 3.730 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.177 0.879 2.908 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.137 2.656 2.990 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.122 3.107 2.392 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.779 4.007 1.648 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.973 3.179 0.620 1.00 0.00 H new ATOM 223 N ILE A 15 -6.000 -1.219 0.397 1.00 0.00 N ATOM 224 CA ILE A 15 -7.303 -1.919 0.200 1.00 0.00 C ATOM 225 C ILE A 15 -8.245 -1.578 1.362 1.00 0.00 C ATOM 226 O ILE A 15 -7.817 -1.388 2.483 1.00 0.00 O ATOM 227 CB ILE A 15 -6.958 -3.412 0.193 1.00 0.00 C ATOM 228 CG1 ILE A 15 -6.456 -3.809 -1.199 1.00 0.00 C ATOM 229 CG2 ILE A 15 -8.203 -4.236 0.533 1.00 0.00 C ATOM 230 CD1 ILE A 15 -5.796 -5.187 -1.133 1.00 0.00 C ATOM 0 H ILE A 15 -5.425 -1.581 1.158 1.00 0.00 H new ATOM 0 HA ILE A 15 -7.807 -1.625 -0.721 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.184 -3.605 0.936 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -7.286 -3.826 -1.905 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -5.743 -3.070 -1.564 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.951 -5.296 0.526 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -8.566 -3.956 1.522 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.980 -4.043 -0.207 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.440 -5.468 -2.124 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.955 -5.155 -0.441 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -6.523 -5.922 -0.787 1.00 0.00 H new ATOM 242 N LYS A 16 -9.522 -1.493 1.104 1.00 0.00 N ATOM 243 CA LYS A 16 -10.482 -1.156 2.197 1.00 0.00 C ATOM 244 C LYS A 16 -10.761 -2.386 3.066 1.00 0.00 C ATOM 245 O LYS A 16 -10.518 -3.508 2.668 1.00 0.00 O ATOM 246 CB LYS A 16 -11.756 -0.709 1.480 1.00 0.00 C ATOM 247 CG LYS A 16 -12.459 -1.926 0.876 1.00 0.00 C ATOM 248 CD LYS A 16 -13.136 -1.525 -0.436 1.00 0.00 C ATOM 249 CE LYS A 16 -13.056 -2.686 -1.430 1.00 0.00 C ATOM 250 NZ LYS A 16 -13.246 -2.060 -2.768 1.00 0.00 N ATOM 0 H LYS A 16 -9.942 -1.642 0.187 1.00 0.00 H new ATOM 0 HA LYS A 16 -10.092 -0.385 2.861 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -12.421 -0.203 2.180 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -11.512 0.008 0.697 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -11.738 -2.724 0.697 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -13.199 -2.316 1.575 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -14.177 -1.260 -0.254 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -12.651 -0.642 -0.852 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -12.095 -3.196 -1.365 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -13.826 -3.431 -1.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -13.204 -2.794 -3.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -14.172 -1.588 -2.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -12.495 -1.360 -2.934 1.00 0.00 H new ATOM 264 N HIS A 17 -11.274 -2.183 4.250 1.00 0.00 N ATOM 265 CA HIS A 17 -11.572 -3.339 5.143 1.00 0.00 C ATOM 266 C HIS A 17 -12.221 -2.858 6.445 1.00 0.00 C ATOM 267 O HIS A 17 -12.921 -1.865 6.473 1.00 0.00 O ATOM 268 CB HIS A 17 -10.212 -3.983 5.425 1.00 0.00 C ATOM 269 CG HIS A 17 -9.446 -3.135 6.403 1.00 0.00 C ATOM 270 ND1 HIS A 17 -9.772 -1.810 6.648 1.00 0.00 N ATOM 271 CD2 HIS A 17 -8.372 -3.412 7.210 1.00 0.00 C ATOM 272 CE1 HIS A 17 -8.911 -1.345 7.571 1.00 0.00 C ATOM 273 NE2 HIS A 17 -8.036 -2.282 7.948 1.00 0.00 N ATOM 0 H HIS A 17 -11.499 -1.267 4.637 1.00 0.00 H new ATOM 0 HA HIS A 17 -12.270 -4.041 4.686 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -10.350 -4.986 5.828 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -9.648 -4.087 4.498 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -7.864 -4.364 7.264 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -8.925 -0.338 7.960 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -7.284 -2.189 8.630 1.00 0.00 H new ATOM 281 N GLN A 18 -11.990 -3.556 7.524 1.00 0.00 N ATOM 282 CA GLN A 18 -12.590 -3.142 8.825 1.00 0.00 C ATOM 283 C GLN A 18 -11.554 -2.401 9.675 1.00 0.00 C ATOM 284 O GLN A 18 -10.967 -2.958 10.582 1.00 0.00 O ATOM 285 CB GLN A 18 -13.003 -4.449 9.501 1.00 0.00 C ATOM 286 CG GLN A 18 -14.407 -4.839 9.038 1.00 0.00 C ATOM 287 CD GLN A 18 -15.415 -4.535 10.147 1.00 0.00 C ATOM 288 OE1 GLN A 18 -15.036 -4.210 11.255 1.00 0.00 O ATOM 289 NE2 GLN A 18 -16.691 -4.626 9.894 1.00 0.00 N ATOM 0 H GLN A 18 -11.412 -4.395 7.561 1.00 0.00 H new ATOM 0 HA GLN A 18 -13.434 -2.465 8.695 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -12.294 -5.239 9.254 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -12.985 -4.332 10.585 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -14.669 -4.289 8.134 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -14.437 -5.899 8.786 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -17.008 -4.899 8.964 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -17.372 -4.424 10.626 1.00 0.00 H new ATOM 298 N GLY A 19 -11.325 -1.148 9.390 1.00 0.00 N ATOM 299 CA GLY A 19 -10.329 -0.372 10.182 1.00 0.00 C ATOM 300 C GLY A 19 -11.054 0.448 11.252 1.00 0.00 C ATOM 301 O GLY A 19 -11.758 -0.087 12.085 1.00 0.00 O ATOM 0 H GLY A 19 -11.785 -0.628 8.643 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.614 -1.049 10.650 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.761 0.288 9.526 1.00 0.00 H new ATOM 594 N THR A 37 -15.198 -6.080 2.835 1.00 0.00 N ATOM 595 CA THR A 37 -13.847 -6.561 3.250 1.00 0.00 C ATOM 596 C THR A 37 -13.626 -6.333 4.747 1.00 0.00 C ATOM 597 O THR A 37 -13.859 -5.258 5.264 1.00 0.00 O ATOM 598 CB THR A 37 -12.857 -5.728 2.433 1.00 0.00 C ATOM 599 OG1 THR A 37 -12.934 -6.111 1.067 1.00 0.00 O ATOM 600 CG2 THR A 37 -11.436 -5.963 2.952 1.00 0.00 C ATOM 0 HA THR A 37 -13.727 -7.630 3.075 1.00 0.00 H new ATOM 0 HB THR A 37 -13.105 -4.671 2.530 1.00 0.00 H new ATOM 0 HG1 THR A 37 -13.854 -6.369 0.851 1.00 0.00 H new ATOM 0 HG21 THR A 37 -10.733 -5.369 2.369 1.00 0.00 H new ATOM 0 HG22 THR A 37 -11.378 -5.669 4.000 1.00 0.00 H new ATOM 0 HG23 THR A 37 -11.184 -7.019 2.858 1.00 0.00 H new ATOM 608 N THR A 38 -13.169 -7.338 5.445 1.00 0.00 N ATOM 609 CA THR A 38 -12.921 -7.187 6.907 1.00 0.00 C ATOM 610 C THR A 38 -11.440 -7.426 7.213 1.00 0.00 C ATOM 611 O THR A 38 -10.617 -7.490 6.322 1.00 0.00 O ATOM 612 CB THR A 38 -13.785 -8.261 7.571 1.00 0.00 C ATOM 613 OG1 THR A 38 -13.293 -9.546 7.218 1.00 0.00 O ATOM 614 CG2 THR A 38 -15.233 -8.120 7.101 1.00 0.00 C ATOM 0 H THR A 38 -12.956 -8.260 5.064 1.00 0.00 H new ATOM 0 HA THR A 38 -13.167 -6.188 7.268 1.00 0.00 H new ATOM 0 HB THR A 38 -13.746 -8.140 8.654 1.00 0.00 H new ATOM 0 HG1 THR A 38 -13.844 -10.236 7.644 1.00 0.00 H new ATOM 0 HG21 THR A 38 -15.846 -8.886 7.576 1.00 0.00 H new ATOM 0 HG22 THR A 38 -15.610 -7.134 7.373 1.00 0.00 H new ATOM 0 HG23 THR A 38 -15.277 -8.239 6.018 1.00 0.00 H new ATOM 622 N ARG A 39 -11.092 -7.563 8.464 1.00 0.00 N ATOM 623 CA ARG A 39 -9.662 -7.801 8.813 1.00 0.00 C ATOM 624 C ARG A 39 -9.167 -9.086 8.148 1.00 0.00 C ATOM 625 O ARG A 39 -8.188 -9.088 7.428 1.00 0.00 O ATOM 626 CB ARG A 39 -9.640 -7.940 10.335 1.00 0.00 C ATOM 627 CG ARG A 39 -9.920 -6.579 10.974 1.00 0.00 C ATOM 628 CD ARG A 39 -8.631 -5.754 11.004 1.00 0.00 C ATOM 629 NE ARG A 39 -7.916 -6.202 12.231 1.00 0.00 N ATOM 630 CZ ARG A 39 -6.977 -5.457 12.747 1.00 0.00 C ATOM 631 NH1 ARG A 39 -6.050 -4.951 11.980 1.00 0.00 N ATOM 632 NH2 ARG A 39 -6.966 -5.216 14.029 1.00 0.00 N ATOM 0 H ARG A 39 -11.733 -7.521 9.256 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.013 -6.995 8.471 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -10.388 -8.665 10.656 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -8.671 -8.315 10.663 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -10.689 -6.052 10.409 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -10.303 -6.712 11.986 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -8.030 -5.928 10.111 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.846 -4.686 11.040 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.160 -7.091 12.668 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.060 -5.138 10.977 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.316 -4.369 12.383 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -7.691 -5.610 14.628 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -6.232 -4.634 14.432 1.00 0.00 H new ATOM 646 N GLU A 40 -9.842 -10.176 8.378 1.00 0.00 N ATOM 647 CA GLU A 40 -9.418 -11.460 7.752 1.00 0.00 C ATOM 648 C GLU A 40 -9.527 -11.347 6.233 1.00 0.00 C ATOM 649 O GLU A 40 -8.572 -11.557 5.511 1.00 0.00 O ATOM 650 CB GLU A 40 -10.402 -12.501 8.285 1.00 0.00 C ATOM 651 CG GLU A 40 -9.930 -13.903 7.891 1.00 0.00 C ATOM 652 CD GLU A 40 -11.043 -14.916 8.171 1.00 0.00 C ATOM 653 OE1 GLU A 40 -11.545 -14.924 9.283 1.00 0.00 O ATOM 654 OE2 GLU A 40 -11.373 -15.668 7.268 1.00 0.00 O ATOM 0 H GLU A 40 -10.669 -10.234 8.972 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.386 -11.723 7.985 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.477 -12.423 9.370 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.398 -12.315 7.882 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.662 -13.924 6.835 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.034 -14.167 8.452 1.00 0.00 H new ATOM 661 N ALA A 41 -10.688 -11.009 5.745 1.00 0.00 N ATOM 662 CA ALA A 41 -10.871 -10.869 4.272 1.00 0.00 C ATOM 663 C ALA A 41 -9.776 -9.972 3.692 1.00 0.00 C ATOM 664 O ALA A 41 -9.115 -10.320 2.734 1.00 0.00 O ATOM 665 CB ALA A 41 -12.244 -10.218 4.104 1.00 0.00 C ATOM 0 H ALA A 41 -11.521 -10.823 6.304 1.00 0.00 H new ATOM 0 HA ALA A 41 -10.809 -11.825 3.752 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.454 -10.080 3.043 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -13.007 -10.859 4.545 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.251 -9.249 4.604 1.00 0.00 H new ATOM 671 N ALA A 42 -9.579 -8.820 4.270 1.00 0.00 N ATOM 672 CA ALA A 42 -8.523 -7.899 3.757 1.00 0.00 C ATOM 673 C ALA A 42 -7.242 -8.682 3.477 1.00 0.00 C ATOM 674 O ALA A 42 -6.825 -8.828 2.346 1.00 0.00 O ATOM 675 CB ALA A 42 -8.299 -6.881 4.877 1.00 0.00 C ATOM 0 H ALA A 42 -10.102 -8.475 5.075 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.813 -7.414 2.825 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.533 -6.168 4.573 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -9.230 -6.350 5.078 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.974 -7.399 5.780 1.00 0.00 H new ATOM 681 N VAL A 43 -6.619 -9.193 4.501 1.00 0.00 N ATOM 682 CA VAL A 43 -5.368 -9.975 4.293 1.00 0.00 C ATOM 683 C VAL A 43 -5.557 -10.946 3.128 1.00 0.00 C ATOM 684 O VAL A 43 -4.688 -11.114 2.296 1.00 0.00 O ATOM 685 CB VAL A 43 -5.148 -10.736 5.600 1.00 0.00 C ATOM 686 CG1 VAL A 43 -4.088 -11.818 5.389 1.00 0.00 C ATOM 687 CG2 VAL A 43 -4.672 -9.763 6.682 1.00 0.00 C ATOM 0 H VAL A 43 -6.921 -9.104 5.471 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.515 -9.341 4.051 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.084 -11.200 5.912 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.931 -12.361 6.321 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.424 -12.511 4.618 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.152 -11.355 5.077 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.515 -10.305 7.615 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.736 -9.300 6.369 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.426 -8.990 6.834 1.00 0.00 H new ATOM 697 N GLU A 44 -6.695 -11.576 3.058 1.00 0.00 N ATOM 698 CA GLU A 44 -6.950 -12.527 1.940 1.00 0.00 C ATOM 699 C GLU A 44 -6.891 -11.777 0.612 1.00 0.00 C ATOM 700 O GLU A 44 -6.206 -12.172 -0.310 1.00 0.00 O ATOM 701 CB GLU A 44 -8.354 -13.076 2.194 1.00 0.00 C ATOM 702 CG GLU A 44 -8.442 -14.512 1.675 1.00 0.00 C ATOM 703 CD GLU A 44 -9.701 -15.178 2.232 1.00 0.00 C ATOM 704 OE1 GLU A 44 -10.766 -14.600 2.089 1.00 0.00 O ATOM 705 OE2 GLU A 44 -9.579 -16.255 2.792 1.00 0.00 O ATOM 0 H GLU A 44 -7.460 -11.474 3.725 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.213 -13.329 1.892 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.579 -13.049 3.260 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -9.096 -12.452 1.696 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.467 -14.515 0.585 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.557 -15.074 1.975 1.00 0.00 H new ATOM 712 N GLN A 45 -7.588 -10.683 0.513 1.00 0.00 N ATOM 713 CA GLN A 45 -7.548 -9.898 -0.749 1.00 0.00 C ATOM 714 C GLN A 45 -6.089 -9.592 -1.087 1.00 0.00 C ATOM 715 O GLN A 45 -5.709 -9.484 -2.237 1.00 0.00 O ATOM 716 CB GLN A 45 -8.324 -8.616 -0.446 1.00 0.00 C ATOM 717 CG GLN A 45 -9.378 -8.388 -1.532 1.00 0.00 C ATOM 718 CD GLN A 45 -8.691 -7.984 -2.838 1.00 0.00 C ATOM 719 OE1 GLN A 45 -7.563 -8.358 -3.086 1.00 0.00 O ATOM 720 NE2 GLN A 45 -9.329 -7.230 -3.690 1.00 0.00 N ATOM 0 H GLN A 45 -8.182 -10.299 1.248 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.981 -10.424 -1.600 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.803 -8.690 0.530 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -7.642 -7.767 -0.403 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -9.962 -9.296 -1.682 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -10.074 -7.609 -1.220 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -10.277 -6.915 -3.483 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -8.880 -6.955 -4.564 1.00 0.00 H new ATOM 729 N LEU A 46 -5.265 -9.475 -0.082 1.00 0.00 N ATOM 730 CA LEU A 46 -3.823 -9.201 -0.321 1.00 0.00 C ATOM 731 C LEU A 46 -3.095 -10.520 -0.586 1.00 0.00 C ATOM 732 O LEU A 46 -2.170 -10.589 -1.370 1.00 0.00 O ATOM 733 CB LEU A 46 -3.322 -8.559 0.974 1.00 0.00 C ATOM 734 CG LEU A 46 -2.861 -7.128 0.694 1.00 0.00 C ATOM 735 CD1 LEU A 46 -3.802 -6.142 1.387 1.00 0.00 C ATOM 736 CD2 LEU A 46 -1.445 -6.939 1.236 1.00 0.00 C ATOM 0 H LEU A 46 -5.532 -9.558 0.899 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.651 -8.554 -1.181 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.116 -8.556 1.721 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.499 -9.143 1.386 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.872 -6.947 -0.381 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.472 -5.122 1.187 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.815 -6.277 1.007 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.791 -6.322 2.462 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.113 -5.920 1.038 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.440 -7.120 2.311 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.771 -7.642 0.746 1.00 0.00 H new ATOM 748 N LYS A 47 -3.517 -11.573 0.060 1.00 0.00 N ATOM 749 CA LYS A 47 -2.862 -12.893 -0.157 1.00 0.00 C ATOM 750 C LYS A 47 -2.699 -13.141 -1.657 1.00 0.00 C ATOM 751 O LYS A 47 -1.631 -13.473 -2.136 1.00 0.00 O ATOM 752 CB LYS A 47 -3.819 -13.915 0.462 1.00 0.00 C ATOM 753 CG LYS A 47 -3.384 -14.223 1.896 1.00 0.00 C ATOM 754 CD LYS A 47 -1.921 -14.665 1.902 1.00 0.00 C ATOM 755 CE LYS A 47 -1.094 -13.680 2.730 1.00 0.00 C ATOM 756 NZ LYS A 47 0.323 -14.071 2.489 1.00 0.00 N ATOM 0 H LYS A 47 -4.287 -11.575 0.729 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.869 -12.951 0.289 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.837 -13.525 0.456 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.824 -14.829 -0.131 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.511 -13.340 2.523 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.013 -15.007 2.318 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.835 -15.669 2.319 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.539 -14.709 0.882 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.278 -12.651 2.420 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.347 -13.744 3.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.755 -14.379 3.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.356 -14.851 1.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.849 -13.256 2.113 1.00 0.00 H new ATOM 770 N SER A 48 -3.753 -12.967 -2.401 1.00 0.00 N ATOM 771 CA SER A 48 -3.677 -13.174 -3.875 1.00 0.00 C ATOM 772 C SER A 48 -3.030 -11.957 -4.534 1.00 0.00 C ATOM 773 O SER A 48 -2.279 -12.079 -5.476 1.00 0.00 O ATOM 774 CB SER A 48 -5.128 -13.321 -4.330 1.00 0.00 C ATOM 775 OG SER A 48 -5.731 -12.035 -4.398 1.00 0.00 O ATOM 0 H SER A 48 -4.670 -12.689 -2.051 1.00 0.00 H new ATOM 0 HA SER A 48 -3.078 -14.044 -4.144 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.168 -13.806 -5.305 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.677 -13.956 -3.635 1.00 0.00 H new ATOM 0 HG SER A 48 -6.662 -12.125 -4.691 1.00 0.00 H new ATOM 781 N ILE A 49 -3.312 -10.783 -4.044 1.00 0.00 N ATOM 782 CA ILE A 49 -2.702 -9.569 -4.651 1.00 0.00 C ATOM 783 C ILE A 49 -1.186 -9.757 -4.750 1.00 0.00 C ATOM 784 O ILE A 49 -0.601 -9.623 -5.805 1.00 0.00 O ATOM 785 CB ILE A 49 -3.101 -8.405 -3.719 1.00 0.00 C ATOM 786 CG1 ILE A 49 -3.581 -7.228 -4.570 1.00 0.00 C ATOM 787 CG2 ILE A 49 -1.921 -7.945 -2.851 1.00 0.00 C ATOM 788 CD1 ILE A 49 -2.399 -6.642 -5.342 1.00 0.00 C ATOM 0 H ILE A 49 -3.935 -10.612 -3.254 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.047 -9.371 -5.666 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.894 -8.755 -3.058 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.354 -7.558 -5.264 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.028 -6.464 -3.934 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.240 -7.125 -2.208 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.577 -8.776 -2.235 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.107 -7.608 -3.493 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.740 -5.803 -5.949 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.641 -6.297 -4.639 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.972 -7.408 -5.989 1.00 0.00 H new ATOM 800 N ARG A 50 -0.551 -10.094 -3.666 1.00 0.00 N ATOM 801 CA ARG A 50 0.920 -10.318 -3.710 1.00 0.00 C ATOM 802 C ARG A 50 1.212 -11.436 -4.712 1.00 0.00 C ATOM 803 O ARG A 50 2.134 -11.361 -5.501 1.00 0.00 O ATOM 804 CB ARG A 50 1.297 -10.739 -2.289 1.00 0.00 C ATOM 805 CG ARG A 50 2.756 -11.196 -2.255 1.00 0.00 C ATOM 806 CD ARG A 50 2.878 -12.443 -1.375 1.00 0.00 C ATOM 807 NE ARG A 50 2.732 -13.589 -2.314 1.00 0.00 N ATOM 808 CZ ARG A 50 3.091 -14.787 -1.942 1.00 0.00 C ATOM 809 NH1 ARG A 50 2.433 -15.402 -0.997 1.00 0.00 N ATOM 810 NH2 ARG A 50 4.108 -15.370 -2.514 1.00 0.00 N ATOM 0 H ARG A 50 -0.985 -10.224 -2.752 1.00 0.00 H new ATOM 0 HA ARG A 50 1.485 -9.440 -4.022 1.00 0.00 H new ATOM 0 HB2 ARG A 50 1.151 -9.905 -1.602 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.645 -11.546 -1.954 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.104 -11.415 -3.265 1.00 0.00 H new ATOM 0 HG3 ARG A 50 3.389 -10.399 -1.865 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.839 -12.472 -0.862 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.106 -12.461 -0.606 1.00 0.00 H new ATOM 0 HE ARG A 50 2.351 -13.438 -3.248 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.638 -14.946 -0.549 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.714 -16.339 -0.706 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.623 -14.889 -3.252 1.00 0.00 H new ATOM 0 HH22 ARG A 50 4.389 -16.307 -2.223 1.00 0.00 H new ATOM 824 N GLU A 51 0.405 -12.462 -4.695 1.00 0.00 N ATOM 825 CA GLU A 51 0.585 -13.591 -5.652 1.00 0.00 C ATOM 826 C GLU A 51 0.404 -13.072 -7.073 1.00 0.00 C ATOM 827 O GLU A 51 1.250 -13.228 -7.931 1.00 0.00 O ATOM 828 CB GLU A 51 -0.543 -14.558 -5.287 1.00 0.00 C ATOM 829 CG GLU A 51 -0.882 -15.474 -6.467 1.00 0.00 C ATOM 830 CD GLU A 51 0.402 -15.929 -7.166 1.00 0.00 C ATOM 831 OE1 GLU A 51 1.370 -16.192 -6.472 1.00 0.00 O ATOM 832 OE2 GLU A 51 0.392 -16.011 -8.384 1.00 0.00 O ATOM 0 H GLU A 51 -0.380 -12.567 -4.052 1.00 0.00 H new ATOM 0 HA GLU A 51 1.568 -14.060 -5.599 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.247 -15.160 -4.428 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.429 -13.995 -4.992 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.441 -16.341 -6.115 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.523 -14.947 -7.174 1.00 0.00 H new ATOM 839 N ASP A 52 -0.696 -12.442 -7.320 1.00 0.00 N ATOM 840 CA ASP A 52 -0.932 -11.885 -8.677 1.00 0.00 C ATOM 841 C ASP A 52 0.173 -10.878 -8.978 1.00 0.00 C ATOM 842 O ASP A 52 0.786 -10.906 -10.023 1.00 0.00 O ATOM 843 CB ASP A 52 -2.298 -11.202 -8.611 1.00 0.00 C ATOM 844 CG ASP A 52 -3.232 -11.824 -9.650 1.00 0.00 C ATOM 845 OD1 ASP A 52 -2.736 -12.267 -10.673 1.00 0.00 O ATOM 846 OD2 ASP A 52 -4.426 -11.845 -9.406 1.00 0.00 O ATOM 0 H ASP A 52 -1.445 -12.285 -6.646 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.921 -12.642 -9.462 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.723 -11.311 -7.613 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.191 -10.133 -8.797 1.00 0.00 H new ATOM 851 N ILE A 53 0.461 -10.008 -8.051 1.00 0.00 N ATOM 852 CA ILE A 53 1.560 -9.037 -8.280 1.00 0.00 C ATOM 853 C ILE A 53 2.860 -9.827 -8.421 1.00 0.00 C ATOM 854 O ILE A 53 3.816 -9.386 -9.028 1.00 0.00 O ATOM 855 CB ILE A 53 1.592 -8.163 -7.028 1.00 0.00 C ATOM 856 CG1 ILE A 53 0.276 -7.383 -6.920 1.00 0.00 C ATOM 857 CG2 ILE A 53 2.770 -7.188 -7.116 1.00 0.00 C ATOM 858 CD1 ILE A 53 0.288 -6.208 -7.898 1.00 0.00 C ATOM 0 H ILE A 53 -0.014 -9.929 -7.152 1.00 0.00 H new ATOM 0 HA ILE A 53 1.427 -8.429 -9.175 1.00 0.00 H new ATOM 0 HB ILE A 53 1.712 -8.790 -6.145 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.566 -8.040 -7.138 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.141 -7.019 -5.902 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.793 -6.564 -6.223 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.702 -7.749 -7.191 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.655 -6.556 -7.997 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.649 -5.658 -7.817 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.120 -5.545 -7.660 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.402 -6.582 -8.915 1.00 0.00 H new ATOM 870 N VAL A 54 2.879 -11.011 -7.867 1.00 0.00 N ATOM 871 CA VAL A 54 4.087 -11.872 -7.959 1.00 0.00 C ATOM 872 C VAL A 54 4.219 -12.410 -9.390 1.00 0.00 C ATOM 873 O VAL A 54 5.147 -12.082 -10.101 1.00 0.00 O ATOM 874 CB VAL A 54 3.838 -12.995 -6.928 1.00 0.00 C ATOM 875 CG1 VAL A 54 4.244 -14.362 -7.490 1.00 0.00 C ATOM 876 CG2 VAL A 54 4.652 -12.714 -5.666 1.00 0.00 C ATOM 0 H VAL A 54 2.100 -11.419 -7.351 1.00 0.00 H new ATOM 0 HA VAL A 54 5.019 -11.349 -7.746 1.00 0.00 H new ATOM 0 HB VAL A 54 2.773 -13.016 -6.697 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.057 -15.133 -6.742 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.660 -14.576 -8.385 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.304 -14.351 -7.743 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.478 -13.505 -4.937 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.712 -12.679 -5.917 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.348 -11.757 -5.242 1.00 0.00 H new ATOM 886 N SER A 55 3.293 -13.223 -9.819 1.00 0.00 N ATOM 887 CA SER A 55 3.369 -13.763 -11.209 1.00 0.00 C ATOM 888 C SER A 55 2.484 -12.947 -12.147 1.00 0.00 C ATOM 889 O SER A 55 1.821 -12.017 -11.743 1.00 0.00 O ATOM 890 CB SER A 55 2.862 -15.198 -11.124 1.00 0.00 C ATOM 891 OG SER A 55 2.581 -15.671 -12.436 1.00 0.00 O ATOM 0 H SER A 55 2.491 -13.536 -9.272 1.00 0.00 H new ATOM 0 HA SER A 55 4.385 -13.715 -11.601 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.609 -15.833 -10.647 1.00 0.00 H new ATOM 0 HB3 SER A 55 1.964 -15.244 -10.507 1.00 0.00 H new ATOM 0 HG SER A 55 2.256 -16.594 -12.388 1.00 0.00 H new ATOM 897 N GLY A 56 2.467 -13.295 -13.399 1.00 0.00 N ATOM 898 CA GLY A 56 1.626 -12.554 -14.363 1.00 0.00 C ATOM 899 C GLY A 56 2.152 -11.135 -14.480 1.00 0.00 C ATOM 900 O GLY A 56 1.978 -10.325 -13.592 1.00 0.00 O ATOM 0 H GLY A 56 3.004 -14.066 -13.795 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.645 -13.045 -15.336 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.588 -12.546 -14.030 1.00 0.00 H new ATOM 904 N LYS A 57 2.791 -10.822 -15.567 1.00 0.00 N ATOM 905 CA LYS A 57 3.324 -9.441 -15.748 1.00 0.00 C ATOM 906 C LYS A 57 2.164 -8.443 -15.862 1.00 0.00 C ATOM 907 O LYS A 57 2.100 -7.654 -16.783 1.00 0.00 O ATOM 908 CB LYS A 57 4.115 -9.494 -17.056 1.00 0.00 C ATOM 909 CG LYS A 57 4.649 -8.101 -17.392 1.00 0.00 C ATOM 910 CD LYS A 57 5.888 -8.233 -18.280 1.00 0.00 C ATOM 911 CE LYS A 57 6.215 -6.876 -18.907 1.00 0.00 C ATOM 912 NZ LYS A 57 7.693 -6.886 -19.094 1.00 0.00 N ATOM 0 H LYS A 57 2.970 -11.461 -16.342 1.00 0.00 H new ATOM 0 HA LYS A 57 3.942 -9.119 -14.910 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.942 -10.198 -16.964 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.478 -9.854 -17.863 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.882 -7.519 -17.903 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.899 -7.565 -16.477 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.734 -8.587 -17.691 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.712 -8.973 -19.061 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.697 -6.745 -19.857 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.904 -6.056 -18.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.995 -5.987 -19.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.159 -7.006 -18.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.958 -7.673 -19.720 1.00 0.00 H new ATOM 926 N ALA A 58 1.243 -8.480 -14.937 1.00 0.00 N ATOM 927 CA ALA A 58 0.085 -7.549 -14.990 1.00 0.00 C ATOM 928 C ALA A 58 0.535 -6.108 -14.729 1.00 0.00 C ATOM 929 O ALA A 58 1.709 -5.798 -14.749 1.00 0.00 O ATOM 930 CB ALA A 58 -0.834 -8.033 -13.875 1.00 0.00 C ATOM 0 H ALA A 58 1.245 -9.120 -14.143 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.403 -7.546 -15.965 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.722 -7.403 -13.836 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.129 -9.064 -14.069 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.309 -7.979 -12.921 1.00 0.00 H new ATOM 936 N ASN A 59 -0.398 -5.227 -14.487 1.00 0.00 N ATOM 937 CA ASN A 59 -0.041 -3.805 -14.227 1.00 0.00 C ATOM 938 C ASN A 59 0.031 -3.545 -12.719 1.00 0.00 C ATOM 939 O ASN A 59 0.288 -4.439 -11.938 1.00 0.00 O ATOM 940 CB ASN A 59 -1.183 -3.008 -14.855 1.00 0.00 C ATOM 941 CG ASN A 59 -2.512 -3.461 -14.246 1.00 0.00 C ATOM 942 OD1 ASN A 59 -2.587 -3.743 -13.066 1.00 0.00 O ATOM 943 ND2 ASN A 59 -3.570 -3.545 -15.005 1.00 0.00 N ATOM 0 H ASN A 59 -1.396 -5.433 -14.458 1.00 0.00 H new ATOM 0 HA ASN A 59 0.931 -3.533 -14.639 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.035 -1.942 -14.682 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -1.195 -3.157 -15.935 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -4.460 -3.847 -14.608 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -3.507 -3.308 -15.995 1.00 0.00 H new ATOM 950 N PHE A 60 -0.198 -2.327 -12.304 1.00 0.00 N ATOM 951 CA PHE A 60 -0.149 -2.012 -10.847 1.00 0.00 C ATOM 952 C PHE A 60 -0.545 -0.554 -10.598 1.00 0.00 C ATOM 953 O PHE A 60 -1.105 -0.221 -9.573 1.00 0.00 O ATOM 954 CB PHE A 60 1.304 -2.243 -10.435 1.00 0.00 C ATOM 955 CG PHE A 60 1.467 -1.891 -8.976 1.00 0.00 C ATOM 956 CD1 PHE A 60 1.445 -0.550 -8.573 1.00 0.00 C ATOM 957 CD2 PHE A 60 1.634 -2.903 -8.026 1.00 0.00 C ATOM 958 CE1 PHE A 60 1.590 -0.223 -7.219 1.00 0.00 C ATOM 959 CE2 PHE A 60 1.780 -2.577 -6.672 1.00 0.00 C ATOM 960 CZ PHE A 60 1.758 -1.237 -6.269 1.00 0.00 C ATOM 0 H PHE A 60 -0.417 -1.537 -12.911 1.00 0.00 H new ATOM 0 HA PHE A 60 -0.841 -2.631 -10.276 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.582 -3.283 -10.604 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.969 -1.632 -11.045 1.00 0.00 H new ATOM 0 HD1 PHE A 60 1.316 0.232 -9.307 1.00 0.00 H new ATOM 0 HD2 PHE A 60 1.650 -3.937 -8.337 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.572 0.811 -6.908 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.910 -3.359 -5.939 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.871 -0.985 -5.225 1.00 0.00 H new ATOM 970 N GLU A 61 -0.252 0.318 -11.521 1.00 0.00 N ATOM 971 CA GLU A 61 -0.604 1.755 -11.329 1.00 0.00 C ATOM 972 C GLU A 61 -2.121 1.935 -11.267 1.00 0.00 C ATOM 973 O GLU A 61 -2.679 2.191 -10.218 1.00 0.00 O ATOM 974 CB GLU A 61 -0.031 2.470 -12.552 1.00 0.00 C ATOM 975 CG GLU A 61 1.496 2.433 -12.497 1.00 0.00 C ATOM 976 CD GLU A 61 2.058 3.763 -13.003 1.00 0.00 C ATOM 977 OE1 GLU A 61 1.792 4.099 -14.146 1.00 0.00 O ATOM 978 OE2 GLU A 61 2.744 4.422 -12.240 1.00 0.00 O ATOM 0 H GLU A 61 0.216 0.099 -12.401 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.204 2.152 -10.396 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.384 1.991 -13.465 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -0.379 3.502 -12.579 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.829 2.251 -11.475 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.873 1.612 -13.107 1.00 0.00 H new ATOM 985 N GLU A 62 -2.790 1.813 -12.382 1.00 0.00 N ATOM 986 CA GLU A 62 -4.273 1.984 -12.387 1.00 0.00 C ATOM 987 C GLU A 62 -4.882 1.328 -11.148 1.00 0.00 C ATOM 988 O GLU A 62 -5.703 1.911 -10.468 1.00 0.00 O ATOM 989 CB GLU A 62 -4.746 1.282 -13.661 1.00 0.00 C ATOM 990 CG GLU A 62 -5.988 1.989 -14.205 1.00 0.00 C ATOM 991 CD GLU A 62 -6.929 0.957 -14.829 1.00 0.00 C ATOM 992 OE1 GLU A 62 -6.456 0.150 -15.612 1.00 0.00 O ATOM 993 OE2 GLU A 62 -8.107 0.991 -14.512 1.00 0.00 O ATOM 0 H GLU A 62 -2.375 1.602 -13.289 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.572 3.032 -12.367 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.953 1.291 -14.409 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.973 0.237 -13.450 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.497 2.523 -13.402 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.700 2.732 -14.949 1.00 0.00 H new ATOM 1000 N VAL A 63 -4.478 0.127 -10.838 1.00 0.00 N ATOM 1001 CA VAL A 63 -5.030 -0.546 -9.630 1.00 0.00 C ATOM 1002 C VAL A 63 -4.838 0.355 -8.414 1.00 0.00 C ATOM 1003 O VAL A 63 -5.761 0.627 -7.674 1.00 0.00 O ATOM 1004 CB VAL A 63 -4.215 -1.830 -9.475 1.00 0.00 C ATOM 1005 CG1 VAL A 63 -4.860 -2.720 -8.410 1.00 0.00 C ATOM 1006 CG2 VAL A 63 -4.180 -2.578 -10.808 1.00 0.00 C ATOM 0 H VAL A 63 -3.793 -0.414 -11.366 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.096 -0.756 -9.720 1.00 0.00 H new ATOM 0 HB VAL A 63 -3.199 -1.578 -9.172 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -4.279 -3.635 -8.300 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.885 -2.189 -7.458 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.877 -2.970 -8.712 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.599 -3.493 -10.696 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.197 -2.828 -11.111 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.720 -1.946 -11.568 1.00 0.00 H new ATOM 1016 N ALA A 64 -3.641 0.825 -8.209 1.00 0.00 N ATOM 1017 CA ALA A 64 -3.377 1.714 -7.045 1.00 0.00 C ATOM 1018 C ALA A 64 -4.237 2.976 -7.138 1.00 0.00 C ATOM 1019 O ALA A 64 -4.932 3.336 -6.209 1.00 0.00 O ATOM 1020 CB ALA A 64 -1.893 2.068 -7.147 1.00 0.00 C ATOM 0 H ALA A 64 -2.832 0.631 -8.799 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.618 1.235 -6.096 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.618 2.724 -6.321 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.297 1.156 -7.100 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.704 2.576 -8.093 1.00 0.00 H new ATOM 1026 N THR A 65 -4.200 3.652 -8.253 1.00 0.00 N ATOM 1027 CA THR A 65 -5.016 4.890 -8.396 1.00 0.00 C ATOM 1028 C THR A 65 -6.422 4.668 -7.833 1.00 0.00 C ATOM 1029 O THR A 65 -7.053 5.580 -7.337 1.00 0.00 O ATOM 1030 CB THR A 65 -5.074 5.161 -9.900 1.00 0.00 C ATOM 1031 OG1 THR A 65 -4.568 4.036 -10.603 1.00 0.00 O ATOM 1032 CG2 THR A 65 -4.233 6.394 -10.230 1.00 0.00 C ATOM 0 H THR A 65 -3.642 3.402 -9.069 1.00 0.00 H new ATOM 0 HA THR A 65 -4.586 5.730 -7.850 1.00 0.00 H new ATOM 0 HB THR A 65 -6.107 5.339 -10.198 1.00 0.00 H new ATOM 0 HG1 THR A 65 -5.287 3.383 -10.737 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.275 6.587 -11.302 1.00 0.00 H new ATOM 0 HG22 THR A 65 -4.625 7.257 -9.691 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.199 6.219 -9.933 1.00 0.00 H new ATOM 1040 N ARG A 66 -6.917 3.465 -7.909 1.00 0.00 N ATOM 1041 CA ARG A 66 -8.281 3.187 -7.379 1.00 0.00 C ATOM 1042 C ARG A 66 -8.201 2.640 -5.951 1.00 0.00 C ATOM 1043 O ARG A 66 -8.811 3.161 -5.038 1.00 0.00 O ATOM 1044 CB ARG A 66 -8.864 2.138 -8.326 1.00 0.00 C ATOM 1045 CG ARG A 66 -10.382 2.080 -8.147 1.00 0.00 C ATOM 1046 CD ARG A 66 -10.882 0.676 -8.490 1.00 0.00 C ATOM 1047 NE ARG A 66 -10.590 0.508 -9.941 1.00 0.00 N ATOM 1048 CZ ARG A 66 -11.452 0.916 -10.831 1.00 0.00 C ATOM 1049 NH1 ARG A 66 -12.728 0.710 -10.646 1.00 0.00 N ATOM 1050 NH2 ARG A 66 -11.040 1.529 -11.905 1.00 0.00 N ATOM 0 H ARG A 66 -6.437 2.662 -8.315 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.896 4.086 -7.334 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.618 2.387 -9.358 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.425 1.162 -8.120 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -10.648 2.332 -7.120 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -10.863 2.816 -8.791 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -10.372 -0.081 -7.894 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -11.948 0.576 -8.288 1.00 0.00 H new ATOM 0 HE ARG A 66 -9.716 0.074 -10.239 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -13.051 0.230 -9.806 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -13.402 1.029 -11.342 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -10.043 1.690 -12.050 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -11.714 1.848 -12.601 1.00 0.00 H new ATOM 1064 N VAL A 67 -7.459 1.588 -5.757 1.00 0.00 N ATOM 1065 CA VAL A 67 -7.340 0.990 -4.395 1.00 0.00 C ATOM 1066 C VAL A 67 -6.127 1.566 -3.653 1.00 0.00 C ATOM 1067 O VAL A 67 -5.288 0.840 -3.169 1.00 0.00 O ATOM 1068 CB VAL A 67 -7.157 -0.511 -4.650 1.00 0.00 C ATOM 1069 CG1 VAL A 67 -5.923 -0.741 -5.521 1.00 0.00 C ATOM 1070 CG2 VAL A 67 -6.977 -1.247 -3.322 1.00 0.00 C ATOM 0 H VAL A 67 -6.926 1.112 -6.485 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.209 1.202 -3.772 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.042 -0.892 -5.160 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.797 -1.809 -5.699 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.049 -0.226 -6.474 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.041 -0.352 -5.012 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.848 -2.313 -3.511 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.097 -0.860 -2.808 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.858 -1.094 -2.699 1.00 0.00 H new ATOM 1080 N SER A 68 -6.025 2.866 -3.553 1.00 0.00 N ATOM 1081 CA SER A 68 -4.855 3.460 -2.837 1.00 0.00 C ATOM 1082 C SER A 68 -5.316 4.423 -1.736 1.00 0.00 C ATOM 1083 O SER A 68 -6.447 4.869 -1.715 1.00 0.00 O ATOM 1084 CB SER A 68 -4.066 4.204 -3.912 1.00 0.00 C ATOM 1085 OG SER A 68 -3.253 3.276 -4.620 1.00 0.00 O ATOM 0 H SER A 68 -6.693 3.537 -3.932 1.00 0.00 H new ATOM 0 HA SER A 68 -4.253 2.697 -2.343 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.748 4.707 -4.598 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.446 4.976 -3.456 1.00 0.00 H new ATOM 0 HG SER A 68 -2.311 3.432 -4.399 1.00 0.00 H new ATOM 1091 N ASP A 69 -4.440 4.739 -0.817 1.00 0.00 N ATOM 1092 CA ASP A 69 -4.808 5.665 0.295 1.00 0.00 C ATOM 1093 C ASP A 69 -5.195 7.040 -0.249 1.00 0.00 C ATOM 1094 O ASP A 69 -4.413 7.968 -0.215 1.00 0.00 O ATOM 1095 CB ASP A 69 -3.550 5.766 1.158 1.00 0.00 C ATOM 1096 CG ASP A 69 -3.947 6.058 2.607 1.00 0.00 C ATOM 1097 OD1 ASP A 69 -4.789 6.918 2.808 1.00 0.00 O ATOM 1098 OD2 ASP A 69 -3.403 5.416 3.491 1.00 0.00 O ATOM 0 H ASP A 69 -3.481 4.393 -0.789 1.00 0.00 H new ATOM 0 HA ASP A 69 -5.667 5.301 0.859 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -2.984 4.836 1.105 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -2.900 6.556 0.781 1.00 0.00 H new ATOM 1103 N CYS A 70 -6.401 7.170 -0.740 1.00 0.00 N ATOM 1104 CA CYS A 70 -6.870 8.479 -1.289 1.00 0.00 C ATOM 1105 C CYS A 70 -5.726 9.208 -2.002 1.00 0.00 C ATOM 1106 O CYS A 70 -5.490 9.015 -3.181 1.00 0.00 O ATOM 1107 CB CYS A 70 -7.342 9.275 -0.072 1.00 0.00 C ATOM 1108 SG CYS A 70 -7.682 10.984 -0.562 1.00 0.00 S ATOM 0 H CYS A 70 -7.088 6.417 -0.785 1.00 0.00 H new ATOM 0 HA CYS A 70 -7.663 8.352 -2.026 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -8.240 8.820 0.347 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -6.580 9.254 0.707 1.00 0.00 H new ATOM 0 HG CYS A 70 -8.086 11.660 0.473 1.00 0.00 H new ATOM 1114 N SER A 71 -4.997 10.030 -1.291 1.00 0.00 N ATOM 1115 CA SER A 71 -3.856 10.740 -1.924 1.00 0.00 C ATOM 1116 C SER A 71 -3.079 9.739 -2.764 1.00 0.00 C ATOM 1117 O SER A 71 -2.793 9.960 -3.924 1.00 0.00 O ATOM 1118 CB SER A 71 -3.013 11.225 -0.750 1.00 0.00 C ATOM 1119 OG SER A 71 -1.937 12.018 -1.232 1.00 0.00 O ATOM 0 H SER A 71 -5.145 10.237 -0.303 1.00 0.00 H new ATOM 0 HA SER A 71 -4.154 11.564 -2.572 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.628 11.807 -0.063 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.628 10.373 -0.189 1.00 0.00 H new ATOM 0 HG SER A 71 -1.397 12.331 -0.476 1.00 0.00 H new ATOM 1125 N SER A 72 -2.766 8.618 -2.183 1.00 0.00 N ATOM 1126 CA SER A 72 -2.039 7.568 -2.943 1.00 0.00 C ATOM 1127 C SER A 72 -2.774 7.318 -4.256 1.00 0.00 C ATOM 1128 O SER A 72 -2.170 7.108 -5.283 1.00 0.00 O ATOM 1129 CB SER A 72 -2.071 6.327 -2.054 1.00 0.00 C ATOM 1130 OG SER A 72 -1.117 6.469 -1.009 1.00 0.00 O ATOM 0 H SER A 72 -2.982 8.383 -1.214 1.00 0.00 H new ATOM 0 HA SER A 72 -1.013 7.847 -3.184 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.068 6.192 -1.635 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.850 5.438 -2.644 1.00 0.00 H new ATOM 0 HG SER A 72 -0.307 5.965 -1.234 1.00 0.00 H new ATOM 1136 N ALA A 73 -4.078 7.374 -4.247 1.00 0.00 N ATOM 1137 CA ALA A 73 -4.814 7.176 -5.526 1.00 0.00 C ATOM 1138 C ALA A 73 -4.170 8.081 -6.573 1.00 0.00 C ATOM 1139 O ALA A 73 -3.920 7.685 -7.693 1.00 0.00 O ATOM 1140 CB ALA A 73 -6.253 7.606 -5.248 1.00 0.00 C ATOM 0 H ALA A 73 -4.657 7.545 -3.425 1.00 0.00 H new ATOM 0 HA ALA A 73 -4.788 6.148 -5.888 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -6.850 7.485 -6.152 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -6.670 6.989 -4.452 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.267 8.652 -4.941 1.00 0.00 H new ATOM 1146 N LYS A 74 -3.863 9.291 -6.191 1.00 0.00 N ATOM 1147 CA LYS A 74 -3.190 10.221 -7.140 1.00 0.00 C ATOM 1148 C LYS A 74 -1.771 9.704 -7.389 1.00 0.00 C ATOM 1149 O LYS A 74 -1.193 9.894 -8.440 1.00 0.00 O ATOM 1150 CB LYS A 74 -3.162 11.573 -6.420 1.00 0.00 C ATOM 1151 CG LYS A 74 -2.725 12.664 -7.399 1.00 0.00 C ATOM 1152 CD LYS A 74 -3.441 13.973 -7.059 1.00 0.00 C ATOM 1153 CE LYS A 74 -4.855 13.947 -7.640 1.00 0.00 C ATOM 1154 NZ LYS A 74 -5.756 14.148 -6.471 1.00 0.00 N ATOM 0 H LYS A 74 -4.049 9.675 -5.264 1.00 0.00 H new ATOM 0 HA LYS A 74 -3.693 10.302 -8.103 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.149 11.804 -6.019 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.476 11.532 -5.574 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -1.645 12.804 -7.346 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.958 12.365 -8.421 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -3.483 14.107 -5.978 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.886 14.819 -7.464 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.991 14.733 -8.383 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -5.060 12.999 -8.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -6.746 14.142 -6.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -5.609 13.381 -5.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -5.543 15.061 -6.021 1.00 0.00 H new ATOM 1168 N ARG A 75 -1.227 9.031 -6.412 1.00 0.00 N ATOM 1169 CA ARG A 75 0.143 8.457 -6.536 1.00 0.00 C ATOM 1170 C ARG A 75 0.053 6.927 -6.484 1.00 0.00 C ATOM 1171 O ARG A 75 0.805 6.273 -5.789 1.00 0.00 O ATOM 1172 CB ARG A 75 0.892 8.980 -5.311 1.00 0.00 C ATOM 1173 CG ARG A 75 1.794 10.142 -5.717 1.00 0.00 C ATOM 1174 CD ARG A 75 1.890 11.141 -4.562 1.00 0.00 C ATOM 1175 NE ARG A 75 1.649 12.472 -5.183 1.00 0.00 N ATOM 1176 CZ ARG A 75 1.569 13.538 -4.433 1.00 0.00 C ATOM 1177 NH1 ARG A 75 2.466 13.756 -3.510 1.00 0.00 N ATOM 1178 NH2 ARG A 75 0.593 14.386 -4.606 1.00 0.00 N ATOM 0 H ARG A 75 -1.683 8.852 -5.517 1.00 0.00 H new ATOM 0 HA ARG A 75 0.638 8.731 -7.468 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.182 9.306 -4.551 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.488 8.182 -4.869 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.786 9.773 -5.976 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.395 10.633 -6.605 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.150 10.925 -3.791 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.869 11.100 -4.085 1.00 0.00 H new ATOM 0 HE ARG A 75 1.546 12.552 -6.195 1.00 0.00 H new ATOM 0 HH11 ARG A 75 3.230 13.094 -3.374 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.403 14.589 -2.924 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.108 14.217 -5.327 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.531 15.219 -4.020 1.00 0.00 H new ATOM 1192 N GLY A 76 -0.879 6.360 -7.201 1.00 0.00 N ATOM 1193 CA GLY A 76 -1.049 4.880 -7.188 1.00 0.00 C ATOM 1194 C GLY A 76 0.289 4.230 -7.490 1.00 0.00 C ATOM 1195 O GLY A 76 0.532 3.086 -7.161 1.00 0.00 O ATOM 0 H GLY A 76 -1.534 6.863 -7.799 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -1.417 4.551 -6.216 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.790 4.579 -7.928 1.00 0.00 H new ATOM 1199 N GLY A 77 1.159 4.959 -8.115 1.00 0.00 N ATOM 1200 CA GLY A 77 2.495 4.397 -8.445 1.00 0.00 C ATOM 1201 C GLY A 77 3.256 4.097 -7.152 1.00 0.00 C ATOM 1202 O GLY A 77 3.069 3.065 -6.519 1.00 0.00 O ATOM 0 H GLY A 77 1.006 5.922 -8.414 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.383 3.486 -9.033 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.058 5.103 -9.055 1.00 0.00 H new ATOM 1206 N ASP A 78 4.121 4.982 -6.748 1.00 0.00 N ATOM 1207 CA ASP A 78 4.890 4.720 -5.507 1.00 0.00 C ATOM 1208 C ASP A 78 5.157 6.005 -4.724 1.00 0.00 C ATOM 1209 O ASP A 78 4.897 7.101 -5.182 1.00 0.00 O ATOM 1210 CB ASP A 78 6.206 4.113 -5.995 1.00 0.00 C ATOM 1211 CG ASP A 78 7.008 5.180 -6.744 1.00 0.00 C ATOM 1212 OD1 ASP A 78 6.392 6.073 -7.300 1.00 0.00 O ATOM 1213 OD2 ASP A 78 8.225 5.085 -6.747 1.00 0.00 O ATOM 0 H ASP A 78 4.326 5.864 -7.218 1.00 0.00 H new ATOM 0 HA ASP A 78 4.344 4.065 -4.828 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.781 3.736 -5.150 1.00 0.00 H new ATOM 0 HB3 ASP A 78 6.008 3.264 -6.650 1.00 0.00 H new ATOM 1218 N LEU A 79 5.696 5.865 -3.543 1.00 0.00 N ATOM 1219 CA LEU A 79 6.012 7.057 -2.711 1.00 0.00 C ATOM 1220 C LEU A 79 7.194 7.790 -3.338 1.00 0.00 C ATOM 1221 O LEU A 79 7.118 8.947 -3.702 1.00 0.00 O ATOM 1222 CB LEU A 79 6.416 6.492 -1.342 1.00 0.00 C ATOM 1223 CG LEU A 79 5.185 5.987 -0.578 1.00 0.00 C ATOM 1224 CD1 LEU A 79 4.477 4.896 -1.385 1.00 0.00 C ATOM 1225 CD2 LEU A 79 5.632 5.402 0.768 1.00 0.00 C ATOM 0 H LEU A 79 5.932 4.968 -3.118 1.00 0.00 H new ATOM 0 HA LEU A 79 5.177 7.754 -2.632 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.127 5.677 -1.475 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.920 7.263 -0.760 1.00 0.00 H new ATOM 0 HG LEU A 79 4.499 6.819 -0.417 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.605 4.544 -0.834 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.160 5.302 -2.346 1.00 0.00 H new ATOM 0 HD13 LEU A 79 5.161 4.064 -1.551 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.761 5.042 1.315 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.320 4.574 0.595 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.133 6.174 1.352 1.00 0.00 H new ATOM 1237 N GLY A 80 8.289 7.100 -3.455 1.00 0.00 N ATOM 1238 CA GLY A 80 9.515 7.691 -4.044 1.00 0.00 C ATOM 1239 C GLY A 80 10.660 7.423 -3.093 1.00 0.00 C ATOM 1240 O GLY A 80 11.355 6.443 -3.215 1.00 0.00 O ATOM 0 H GLY A 80 8.387 6.129 -3.160 1.00 0.00 H new ATOM 0 HA2 GLY A 80 9.719 7.253 -5.021 1.00 0.00 H new ATOM 0 HA3 GLY A 80 9.387 8.763 -4.196 1.00 0.00 H new ATOM 1244 N SER A 81 10.838 8.281 -2.132 1.00 0.00 N ATOM 1245 CA SER A 81 11.933 8.087 -1.143 1.00 0.00 C ATOM 1246 C SER A 81 11.551 8.706 0.201 1.00 0.00 C ATOM 1247 O SER A 81 11.119 9.838 0.276 1.00 0.00 O ATOM 1248 CB SER A 81 13.137 8.802 -1.738 1.00 0.00 C ATOM 1249 OG SER A 81 13.035 10.198 -1.486 1.00 0.00 O ATOM 0 H SER A 81 10.269 9.115 -1.987 1.00 0.00 H new ATOM 0 HA SER A 81 12.137 7.032 -0.958 1.00 0.00 H new ATOM 0 HB2 SER A 81 14.057 8.410 -1.304 1.00 0.00 H new ATOM 0 HB3 SER A 81 13.188 8.619 -2.811 1.00 0.00 H new ATOM 0 HG SER A 81 13.525 10.419 -0.667 1.00 0.00 H new ATOM 1255 N PHE A 82 11.707 7.967 1.265 1.00 0.00 N ATOM 1256 CA PHE A 82 11.354 8.508 2.607 1.00 0.00 C ATOM 1257 C PHE A 82 12.022 7.666 3.702 1.00 0.00 C ATOM 1258 O PHE A 82 13.163 7.274 3.576 1.00 0.00 O ATOM 1259 CB PHE A 82 9.830 8.408 2.678 1.00 0.00 C ATOM 1260 CG PHE A 82 9.401 6.991 2.392 1.00 0.00 C ATOM 1261 CD1 PHE A 82 9.481 6.482 1.090 1.00 0.00 C ATOM 1262 CD2 PHE A 82 8.918 6.189 3.429 1.00 0.00 C ATOM 1263 CE1 PHE A 82 9.079 5.168 0.827 1.00 0.00 C ATOM 1264 CE2 PHE A 82 8.516 4.877 3.167 1.00 0.00 C ATOM 1265 CZ PHE A 82 8.595 4.365 1.866 1.00 0.00 C ATOM 0 H PHE A 82 12.064 7.011 1.263 1.00 0.00 H new ATOM 0 HA PHE A 82 11.694 9.533 2.755 1.00 0.00 H new ATOM 0 HB2 PHE A 82 9.481 8.712 3.665 1.00 0.00 H new ATOM 0 HB3 PHE A 82 9.377 9.088 1.957 1.00 0.00 H new ATOM 0 HD1 PHE A 82 9.853 7.104 0.289 1.00 0.00 H new ATOM 0 HD2 PHE A 82 8.855 6.583 4.433 1.00 0.00 H new ATOM 0 HE1 PHE A 82 9.142 4.774 -0.177 1.00 0.00 H new ATOM 0 HE2 PHE A 82 8.144 4.257 3.969 1.00 0.00 H new ATOM 0 HZ PHE A 82 8.283 3.351 1.665 1.00 0.00 H new ATOM 1275 N GLY A 83 11.330 7.383 4.774 1.00 0.00 N ATOM 1276 CA GLY A 83 11.947 6.567 5.857 1.00 0.00 C ATOM 1277 C GLY A 83 11.611 7.178 7.219 1.00 0.00 C ATOM 1278 O GLY A 83 11.633 6.508 8.233 1.00 0.00 O ATOM 0 H GLY A 83 10.369 7.680 4.945 1.00 0.00 H new ATOM 0 HA2 GLY A 83 11.580 5.542 5.807 1.00 0.00 H new ATOM 0 HA3 GLY A 83 13.028 6.525 5.723 1.00 0.00 H new ATOM 1282 N ARG A 84 11.299 8.446 7.250 1.00 0.00 N ATOM 1283 CA ARG A 84 10.960 9.104 8.548 1.00 0.00 C ATOM 1284 C ARG A 84 10.229 10.427 8.295 1.00 0.00 C ATOM 1285 O ARG A 84 10.839 11.449 8.048 1.00 0.00 O ATOM 1286 CB ARG A 84 12.301 9.353 9.253 1.00 0.00 C ATOM 1287 CG ARG A 84 13.379 9.724 8.228 1.00 0.00 C ATOM 1288 CD ARG A 84 14.359 8.557 8.073 1.00 0.00 C ATOM 1289 NE ARG A 84 15.512 8.899 8.953 1.00 0.00 N ATOM 1290 CZ ARG A 84 15.723 8.215 10.045 1.00 0.00 C ATOM 1291 NH1 ARG A 84 16.058 6.956 9.972 1.00 0.00 N ATOM 1292 NH2 ARG A 84 15.600 8.790 11.210 1.00 0.00 N ATOM 0 H ARG A 84 11.264 9.056 6.433 1.00 0.00 H new ATOM 0 HA ARG A 84 10.300 8.485 9.156 1.00 0.00 H new ATOM 0 HB2 ARG A 84 12.192 10.155 9.983 1.00 0.00 H new ATOM 0 HB3 ARG A 84 12.603 8.461 9.802 1.00 0.00 H new ATOM 0 HG2 ARG A 84 12.918 9.956 7.268 1.00 0.00 H new ATOM 0 HG3 ARG A 84 13.911 10.619 8.551 1.00 0.00 H new ATOM 0 HD2 ARG A 84 13.900 7.615 8.373 1.00 0.00 H new ATOM 0 HD3 ARG A 84 14.675 8.442 7.036 1.00 0.00 H new ATOM 0 HE ARG A 84 16.136 9.666 8.703 1.00 0.00 H new ATOM 0 HH11 ARG A 84 16.155 6.506 9.062 1.00 0.00 H new ATOM 0 HH12 ARG A 84 16.223 6.422 10.825 1.00 0.00 H new ATOM 0 HH21 ARG A 84 15.339 9.774 11.268 1.00 0.00 H new ATOM 0 HH22 ARG A 84 15.765 8.255 12.063 1.00 0.00 H new ATOM 1306 N GLY A 85 8.924 10.414 8.353 1.00 0.00 N ATOM 1307 CA GLY A 85 8.148 11.668 8.116 1.00 0.00 C ATOM 1308 C GLY A 85 6.970 11.372 7.183 1.00 0.00 C ATOM 1309 O GLY A 85 6.092 12.191 6.995 1.00 0.00 O ATOM 0 H GLY A 85 8.360 9.588 8.555 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.784 12.067 9.063 1.00 0.00 H new ATOM 0 HA3 GLY A 85 8.792 12.429 7.675 1.00 0.00 H new ATOM 1313 N GLN A 86 6.948 10.207 6.597 1.00 0.00 N ATOM 1314 CA GLN A 86 5.833 9.846 5.670 1.00 0.00 C ATOM 1315 C GLN A 86 5.080 8.636 6.205 1.00 0.00 C ATOM 1316 O GLN A 86 3.895 8.677 6.470 1.00 0.00 O ATOM 1317 CB GLN A 86 6.528 9.463 4.364 1.00 0.00 C ATOM 1318 CG GLN A 86 7.503 10.563 3.969 1.00 0.00 C ATOM 1319 CD GLN A 86 7.234 10.996 2.528 1.00 0.00 C ATOM 1320 OE1 GLN A 86 7.190 12.174 2.234 1.00 0.00 O ATOM 1321 NE2 GLN A 86 7.051 10.087 1.609 1.00 0.00 N ATOM 0 H GLN A 86 7.657 9.484 6.720 1.00 0.00 H new ATOM 0 HA GLN A 86 5.118 10.660 5.551 1.00 0.00 H new ATOM 0 HB2 GLN A 86 7.058 8.518 4.485 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.790 9.316 3.576 1.00 0.00 H new ATOM 0 HG2 GLN A 86 7.397 11.415 4.641 1.00 0.00 H new ATOM 0 HG3 GLN A 86 8.528 10.206 4.066 1.00 0.00 H new ATOM 0 HE21 GLN A 86 7.088 9.098 1.855 1.00 0.00 H new ATOM 0 HE22 GLN A 86 6.871 10.366 0.644 1.00 0.00 H new ATOM 1330 N MET A 87 5.781 7.554 6.343 1.00 0.00 N ATOM 1331 CA MET A 87 5.167 6.298 6.835 1.00 0.00 C ATOM 1332 C MET A 87 4.867 6.404 8.333 1.00 0.00 C ATOM 1333 O MET A 87 4.608 7.474 8.846 1.00 0.00 O ATOM 1334 CB MET A 87 6.239 5.255 6.553 1.00 0.00 C ATOM 1335 CG MET A 87 5.639 4.114 5.730 1.00 0.00 C ATOM 1336 SD MET A 87 5.666 4.494 3.949 1.00 0.00 S ATOM 1337 CE MET A 87 5.659 6.305 4.021 1.00 0.00 C ATOM 0 H MET A 87 6.776 7.485 6.131 1.00 0.00 H new ATOM 0 HA MET A 87 4.216 6.059 6.360 1.00 0.00 H new ATOM 0 HB2 MET A 87 7.070 5.709 6.013 1.00 0.00 H new ATOM 0 HB3 MET A 87 6.641 4.869 7.490 1.00 0.00 H new ATOM 0 HG2 MET A 87 6.197 3.196 5.916 1.00 0.00 H new ATOM 0 HG3 MET A 87 4.613 3.933 6.050 1.00 0.00 H new ATOM 0 HE1 MET A 87 5.638 6.709 3.009 1.00 0.00 H new ATOM 0 HE2 MET A 87 4.778 6.644 4.566 1.00 0.00 H new ATOM 0 HE3 MET A 87 6.557 6.652 4.532 1.00 0.00 H new ATOM 1347 N GLN A 88 4.893 5.307 9.041 1.00 0.00 N ATOM 1348 CA GLN A 88 4.601 5.364 10.503 1.00 0.00 C ATOM 1349 C GLN A 88 5.582 4.489 11.285 1.00 0.00 C ATOM 1350 O GLN A 88 6.159 4.910 12.267 1.00 0.00 O ATOM 1351 CB GLN A 88 3.177 4.827 10.644 1.00 0.00 C ATOM 1352 CG GLN A 88 2.252 5.946 11.126 1.00 0.00 C ATOM 1353 CD GLN A 88 1.027 6.024 10.214 1.00 0.00 C ATOM 1354 OE1 GLN A 88 1.046 6.703 9.207 1.00 0.00 O ATOM 1355 NE2 GLN A 88 -0.047 5.350 10.527 1.00 0.00 N ATOM 0 H GLN A 88 5.102 4.379 8.673 1.00 0.00 H new ATOM 0 HA GLN A 88 4.700 6.375 10.899 1.00 0.00 H new ATOM 0 HB2 GLN A 88 2.827 4.439 9.687 1.00 0.00 H new ATOM 0 HB3 GLN A 88 3.159 3.997 11.350 1.00 0.00 H new ATOM 0 HG2 GLN A 88 1.942 5.758 12.154 1.00 0.00 H new ATOM 0 HG3 GLN A 88 2.783 6.898 11.122 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.063 4.780 11.373 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -0.870 5.394 9.926 1.00 0.00 H new ATOM 1364 N LYS A 89 5.769 3.273 10.860 1.00 0.00 N ATOM 1365 CA LYS A 89 6.709 2.368 11.583 1.00 0.00 C ATOM 1366 C LYS A 89 6.645 0.945 11.012 1.00 0.00 C ATOM 1367 O LYS A 89 7.657 0.395 10.627 1.00 0.00 O ATOM 1368 CB LYS A 89 6.241 2.388 13.039 1.00 0.00 C ATOM 1369 CG LYS A 89 7.267 3.140 13.889 1.00 0.00 C ATOM 1370 CD LYS A 89 6.544 4.097 14.840 1.00 0.00 C ATOM 1371 CE LYS A 89 7.384 4.292 16.104 1.00 0.00 C ATOM 1372 NZ LYS A 89 7.246 5.737 16.440 1.00 0.00 N ATOM 0 H LYS A 89 5.313 2.864 10.044 1.00 0.00 H new ATOM 0 HA LYS A 89 7.744 2.694 11.482 1.00 0.00 H new ATOM 0 HB2 LYS A 89 5.266 2.870 13.113 1.00 0.00 H new ATOM 0 HB3 LYS A 89 6.122 1.370 13.409 1.00 0.00 H new ATOM 0 HG2 LYS A 89 7.871 2.433 14.458 1.00 0.00 H new ATOM 0 HG3 LYS A 89 7.949 3.696 13.246 1.00 0.00 H new ATOM 0 HD2 LYS A 89 6.377 5.056 14.350 1.00 0.00 H new ATOM 0 HD3 LYS A 89 5.564 3.697 15.100 1.00 0.00 H new ATOM 0 HE2 LYS A 89 7.025 3.662 16.918 1.00 0.00 H new ATOM 0 HE3 LYS A 89 8.426 4.025 15.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 7.795 5.948 17.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 7.602 6.313 15.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 6.244 5.960 16.607 1.00 0.00 H new ATOM 1386 N PRO A 90 5.459 0.389 10.972 1.00 0.00 N ATOM 1387 CA PRO A 90 5.289 -0.987 10.437 1.00 0.00 C ATOM 1388 C PRO A 90 5.626 -1.022 8.944 1.00 0.00 C ATOM 1389 O PRO A 90 6.310 -1.910 8.476 1.00 0.00 O ATOM 1390 CB PRO A 90 3.813 -1.292 10.691 1.00 0.00 C ATOM 1391 CG PRO A 90 3.163 0.048 10.776 1.00 0.00 C ATOM 1392 CD PRO A 90 4.178 0.966 11.403 1.00 0.00 C ATOM 0 HA PRO A 90 5.946 -1.720 10.905 1.00 0.00 H new ATOM 0 HB2 PRO A 90 3.387 -1.889 9.885 1.00 0.00 H new ATOM 0 HB3 PRO A 90 3.678 -1.858 11.613 1.00 0.00 H new ATOM 0 HG2 PRO A 90 2.874 0.404 9.787 1.00 0.00 H new ATOM 0 HG3 PRO A 90 2.255 0.003 11.377 1.00 0.00 H new ATOM 0 HD2 PRO A 90 4.061 1.993 11.057 1.00 0.00 H new ATOM 0 HD3 PRO A 90 4.089 0.984 12.489 1.00 0.00 H new ATOM 1400 N PHE A 91 5.173 -0.060 8.191 1.00 0.00 N ATOM 1401 CA PHE A 91 5.503 -0.057 6.740 1.00 0.00 C ATOM 1402 C PHE A 91 7.015 0.056 6.572 1.00 0.00 C ATOM 1403 O PHE A 91 7.647 -0.760 5.934 1.00 0.00 O ATOM 1404 CB PHE A 91 4.803 1.180 6.154 1.00 0.00 C ATOM 1405 CG PHE A 91 5.185 1.347 4.689 1.00 0.00 C ATOM 1406 CD1 PHE A 91 6.520 1.577 4.318 1.00 0.00 C ATOM 1407 CD2 PHE A 91 4.204 1.239 3.695 1.00 0.00 C ATOM 1408 CE1 PHE A 91 6.868 1.695 2.979 1.00 0.00 C ATOM 1409 CE2 PHE A 91 4.560 1.368 2.342 1.00 0.00 C ATOM 1410 CZ PHE A 91 5.892 1.592 1.986 1.00 0.00 C ATOM 0 H PHE A 91 4.595 0.716 8.513 1.00 0.00 H new ATOM 0 HA PHE A 91 5.177 -0.968 6.237 1.00 0.00 H new ATOM 0 HB2 PHE A 91 3.722 1.075 6.247 1.00 0.00 H new ATOM 0 HB3 PHE A 91 5.087 2.070 6.716 1.00 0.00 H new ATOM 0 HD1 PHE A 91 7.281 1.663 5.079 1.00 0.00 H new ATOM 0 HD2 PHE A 91 3.175 1.057 3.968 1.00 0.00 H new ATOM 0 HE1 PHE A 91 7.898 1.867 2.704 1.00 0.00 H new ATOM 0 HE2 PHE A 91 3.802 1.294 1.576 1.00 0.00 H new ATOM 0 HZ PHE A 91 6.166 1.685 0.946 1.00 0.00 H new ATOM 1420 N GLU A 92 7.593 1.084 7.121 1.00 0.00 N ATOM 1421 CA GLU A 92 9.063 1.282 6.978 1.00 0.00 C ATOM 1422 C GLU A 92 9.802 -0.047 7.127 1.00 0.00 C ATOM 1423 O GLU A 92 10.352 -0.569 6.178 1.00 0.00 O ATOM 1424 CB GLU A 92 9.445 2.244 8.102 1.00 0.00 C ATOM 1425 CG GLU A 92 8.672 3.553 7.930 1.00 0.00 C ATOM 1426 CD GLU A 92 9.574 4.734 8.290 1.00 0.00 C ATOM 1427 OE1 GLU A 92 10.374 4.587 9.200 1.00 0.00 O ATOM 1428 OE2 GLU A 92 9.449 5.766 7.652 1.00 0.00 O ATOM 0 H GLU A 92 7.111 1.799 7.665 1.00 0.00 H new ATOM 0 HA GLU A 92 9.330 1.676 5.997 1.00 0.00 H new ATOM 0 HB2 GLU A 92 9.218 1.799 9.071 1.00 0.00 H new ATOM 0 HB3 GLU A 92 10.518 2.436 8.083 1.00 0.00 H new ATOM 0 HG2 GLU A 92 8.324 3.649 6.902 1.00 0.00 H new ATOM 0 HG3 GLU A 92 7.787 3.551 8.567 1.00 0.00 H new ATOM 1435 N GLU A 93 9.821 -0.601 8.306 1.00 0.00 N ATOM 1436 CA GLU A 93 10.530 -1.898 8.495 1.00 0.00 C ATOM 1437 C GLU A 93 10.173 -2.844 7.344 1.00 0.00 C ATOM 1438 O GLU A 93 10.941 -3.711 6.977 1.00 0.00 O ATOM 1439 CB GLU A 93 10.053 -2.432 9.857 1.00 0.00 C ATOM 1440 CG GLU A 93 8.832 -3.342 9.686 1.00 0.00 C ATOM 1441 CD GLU A 93 8.418 -3.902 11.049 1.00 0.00 C ATOM 1442 OE1 GLU A 93 7.695 -3.217 11.753 1.00 0.00 O ATOM 1443 OE2 GLU A 93 8.832 -5.005 11.364 1.00 0.00 O ATOM 0 H GLU A 93 9.380 -0.216 9.142 1.00 0.00 H new ATOM 0 HA GLU A 93 11.615 -1.798 8.488 1.00 0.00 H new ATOM 0 HB2 GLU A 93 10.860 -2.984 10.339 1.00 0.00 H new ATOM 0 HB3 GLU A 93 9.802 -1.598 10.512 1.00 0.00 H new ATOM 0 HG2 GLU A 93 8.007 -2.782 9.245 1.00 0.00 H new ATOM 0 HG3 GLU A 93 9.066 -4.158 9.002 1.00 0.00 H new ATOM 1450 N ALA A 94 9.018 -2.669 6.759 1.00 0.00 N ATOM 1451 CA ALA A 94 8.626 -3.543 5.619 1.00 0.00 C ATOM 1452 C ALA A 94 9.513 -3.242 4.419 1.00 0.00 C ATOM 1453 O ALA A 94 10.200 -4.102 3.909 1.00 0.00 O ATOM 1454 CB ALA A 94 7.176 -3.174 5.303 1.00 0.00 C ATOM 0 H ALA A 94 8.332 -1.961 7.021 1.00 0.00 H new ATOM 0 HA ALA A 94 8.732 -4.602 5.856 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.819 -3.780 4.470 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.554 -3.359 6.179 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.119 -2.119 5.034 1.00 0.00 H new ATOM 1460 N THR A 95 9.512 -2.020 3.972 1.00 0.00 N ATOM 1461 CA THR A 95 10.365 -1.660 2.810 1.00 0.00 C ATOM 1462 C THR A 95 11.829 -1.759 3.221 1.00 0.00 C ATOM 1463 O THR A 95 12.679 -2.167 2.454 1.00 0.00 O ATOM 1464 CB THR A 95 9.994 -0.220 2.465 1.00 0.00 C ATOM 1465 OG1 THR A 95 8.581 -0.105 2.404 1.00 0.00 O ATOM 1466 CG2 THR A 95 10.599 0.147 1.110 1.00 0.00 C ATOM 0 H THR A 95 8.958 -1.256 4.360 1.00 0.00 H new ATOM 0 HA THR A 95 10.216 -2.319 1.955 1.00 0.00 H new ATOM 0 HB THR A 95 10.381 0.455 3.228 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.268 0.469 3.134 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.336 1.175 0.860 1.00 0.00 H new ATOM 0 HG22 THR A 95 11.684 0.051 1.158 1.00 0.00 H new ATOM 0 HG23 THR A 95 10.209 -0.523 0.344 1.00 0.00 H new ATOM 1474 N TYR A 96 12.121 -1.407 4.441 1.00 0.00 N ATOM 1475 CA TYR A 96 13.524 -1.499 4.926 1.00 0.00 C ATOM 1476 C TYR A 96 13.919 -2.974 5.004 1.00 0.00 C ATOM 1477 O TYR A 96 15.074 -3.331 4.890 1.00 0.00 O ATOM 1478 CB TYR A 96 13.504 -0.872 6.321 1.00 0.00 C ATOM 1479 CG TYR A 96 13.768 0.613 6.221 1.00 0.00 C ATOM 1480 CD1 TYR A 96 15.071 1.083 6.011 1.00 0.00 C ATOM 1481 CD2 TYR A 96 12.709 1.521 6.344 1.00 0.00 C ATOM 1482 CE1 TYR A 96 15.313 2.461 5.922 1.00 0.00 C ATOM 1483 CE2 TYR A 96 12.951 2.897 6.257 1.00 0.00 C ATOM 1484 CZ TYR A 96 14.253 3.367 6.046 1.00 0.00 C ATOM 1485 OH TYR A 96 14.491 4.724 5.960 1.00 0.00 O ATOM 0 H TYR A 96 11.448 -1.059 5.124 1.00 0.00 H new ATOM 0 HA TYR A 96 14.238 -0.995 4.275 1.00 0.00 H new ATOM 0 HB2 TYR A 96 12.538 -1.047 6.794 1.00 0.00 H new ATOM 0 HB3 TYR A 96 14.258 -1.343 6.952 1.00 0.00 H new ATOM 0 HD1 TYR A 96 15.889 0.384 5.918 1.00 0.00 H new ATOM 0 HD2 TYR A 96 11.704 1.159 6.506 1.00 0.00 H new ATOM 0 HE1 TYR A 96 16.317 2.824 5.758 1.00 0.00 H new ATOM 0 HE2 TYR A 96 12.133 3.596 6.353 1.00 0.00 H new ATOM 0 HH TYR A 96 15.259 4.885 5.373 1.00 0.00 H new ATOM 1495 N ALA A 97 12.951 -3.831 5.190 1.00 0.00 N ATOM 1496 CA ALA A 97 13.236 -5.290 5.269 1.00 0.00 C ATOM 1497 C ALA A 97 13.069 -5.926 3.886 1.00 0.00 C ATOM 1498 O ALA A 97 13.826 -6.788 3.489 1.00 0.00 O ATOM 1499 CB ALA A 97 12.189 -5.839 6.240 1.00 0.00 C ATOM 0 H ALA A 97 11.968 -3.579 5.291 1.00 0.00 H new ATOM 0 HA ALA A 97 14.252 -5.502 5.601 1.00 0.00 H new ATOM 0 HB1 ALA A 97 12.328 -6.914 6.356 1.00 0.00 H new ATOM 0 HB2 ALA A 97 12.301 -5.352 7.209 1.00 0.00 H new ATOM 0 HB3 ALA A 97 11.191 -5.643 5.848 1.00 0.00 H new ATOM 1505 N LEU A 98 12.077 -5.500 3.151 1.00 0.00 N ATOM 1506 CA LEU A 98 11.847 -6.068 1.792 1.00 0.00 C ATOM 1507 C LEU A 98 12.875 -5.511 0.805 1.00 0.00 C ATOM 1508 O LEU A 98 13.485 -4.487 1.039 1.00 0.00 O ATOM 1509 CB LEU A 98 10.440 -5.611 1.409 1.00 0.00 C ATOM 1510 CG LEU A 98 9.742 -6.713 0.611 1.00 0.00 C ATOM 1511 CD1 LEU A 98 8.291 -6.844 1.080 1.00 0.00 C ATOM 1512 CD2 LEU A 98 9.766 -6.359 -0.878 1.00 0.00 C ATOM 0 H LEU A 98 11.413 -4.780 3.435 1.00 0.00 H new ATOM 0 HA LEU A 98 11.945 -7.153 1.775 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.866 -5.378 2.306 1.00 0.00 H new ATOM 0 HB3 LEU A 98 10.492 -4.697 0.817 1.00 0.00 H new ATOM 0 HG LEU A 98 10.261 -7.658 0.769 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.794 -7.630 0.511 1.00 0.00 H new ATOM 0 HD12 LEU A 98 8.273 -7.097 2.140 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.771 -5.899 0.924 1.00 0.00 H new ATOM 0 HD21 LEU A 98 9.268 -7.145 -1.447 1.00 0.00 H new ATOM 0 HD22 LEU A 98 9.248 -5.413 -1.036 1.00 0.00 H new ATOM 0 HD23 LEU A 98 10.799 -6.267 -1.213 1.00 0.00 H new ATOM 1524 N LYS A 99 13.067 -6.175 -0.300 1.00 0.00 N ATOM 1525 CA LYS A 99 14.052 -5.683 -1.305 1.00 0.00 C ATOM 1526 C LYS A 99 13.380 -5.547 -2.672 1.00 0.00 C ATOM 1527 O LYS A 99 12.929 -4.485 -3.054 1.00 0.00 O ATOM 1528 CB LYS A 99 15.141 -6.753 -1.347 1.00 0.00 C ATOM 1529 CG LYS A 99 16.305 -6.331 -0.450 1.00 0.00 C ATOM 1530 CD LYS A 99 16.079 -6.868 0.964 1.00 0.00 C ATOM 1531 CE LYS A 99 17.426 -7.019 1.673 1.00 0.00 C ATOM 1532 NZ LYS A 99 17.350 -8.335 2.366 1.00 0.00 N ATOM 0 H LYS A 99 12.585 -7.038 -0.552 1.00 0.00 H new ATOM 0 HA LYS A 99 14.455 -4.703 -1.048 1.00 0.00 H new ATOM 0 HB2 LYS A 99 14.739 -7.710 -1.013 1.00 0.00 H new ATOM 0 HB3 LYS A 99 15.489 -6.893 -2.370 1.00 0.00 H new ATOM 0 HG2 LYS A 99 17.244 -6.714 -0.850 1.00 0.00 H new ATOM 0 HG3 LYS A 99 16.387 -5.244 -0.429 1.00 0.00 H new ATOM 0 HD2 LYS A 99 15.435 -6.189 1.524 1.00 0.00 H new ATOM 0 HD3 LYS A 99 15.568 -7.830 0.922 1.00 0.00 H new ATOM 0 HE2 LYS A 99 18.252 -6.994 0.962 1.00 0.00 H new ATOM 0 HE3 LYS A 99 17.592 -6.208 2.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 18.239 -8.511 2.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 16.559 -8.326 3.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 17.198 -9.088 1.665 1.00 0.00 H new ATOM 1546 N VAL A 100 13.313 -6.618 -3.411 1.00 0.00 N ATOM 1547 CA VAL A 100 12.672 -6.561 -4.755 1.00 0.00 C ATOM 1548 C VAL A 100 12.233 -7.968 -5.182 1.00 0.00 C ATOM 1549 O VAL A 100 12.011 -8.241 -6.345 1.00 0.00 O ATOM 1550 CB VAL A 100 13.763 -6.008 -5.678 1.00 0.00 C ATOM 1551 CG1 VAL A 100 13.402 -6.277 -7.139 1.00 0.00 C ATOM 1552 CG2 VAL A 100 13.887 -4.498 -5.461 1.00 0.00 C ATOM 0 H VAL A 100 13.675 -7.533 -3.142 1.00 0.00 H new ATOM 0 HA VAL A 100 11.777 -5.940 -4.777 1.00 0.00 H new ATOM 0 HB VAL A 100 14.709 -6.498 -5.447 1.00 0.00 H new ATOM 0 HG11 VAL A 100 14.184 -5.880 -7.786 1.00 0.00 H new ATOM 0 HG12 VAL A 100 13.309 -7.351 -7.299 1.00 0.00 H new ATOM 0 HG13 VAL A 100 12.455 -5.792 -7.375 1.00 0.00 H new ATOM 0 HG21 VAL A 100 14.662 -4.099 -6.115 1.00 0.00 H new ATOM 0 HG22 VAL A 100 12.936 -4.018 -5.691 1.00 0.00 H new ATOM 0 HG23 VAL A 100 14.152 -4.300 -4.422 1.00 0.00 H new ATOM 1562 N GLY A 101 12.097 -8.864 -4.241 1.00 0.00 N ATOM 1563 CA GLY A 101 11.669 -10.250 -4.583 1.00 0.00 C ATOM 1564 C GLY A 101 10.644 -10.733 -3.556 1.00 0.00 C ATOM 1565 O GLY A 101 10.426 -11.917 -3.391 1.00 0.00 O ATOM 0 H GLY A 101 12.264 -8.695 -3.249 1.00 0.00 H new ATOM 0 HA2 GLY A 101 11.236 -10.272 -5.583 1.00 0.00 H new ATOM 0 HA3 GLY A 101 12.531 -10.917 -4.594 1.00 0.00 H new ATOM 1569 N ASP A 102 10.013 -9.826 -2.862 1.00 0.00 N ATOM 1570 CA ASP A 102 9.002 -10.235 -1.844 1.00 0.00 C ATOM 1571 C ASP A 102 7.650 -9.583 -2.149 1.00 0.00 C ATOM 1572 O ASP A 102 6.606 -10.119 -1.836 1.00 0.00 O ATOM 1573 CB ASP A 102 9.553 -9.727 -0.510 1.00 0.00 C ATOM 1574 CG ASP A 102 10.299 -10.858 0.201 1.00 0.00 C ATOM 1575 OD1 ASP A 102 10.425 -11.920 -0.386 1.00 0.00 O ATOM 1576 OD2 ASP A 102 10.731 -10.643 1.321 1.00 0.00 O ATOM 0 H ASP A 102 10.153 -8.820 -2.955 1.00 0.00 H new ATOM 0 HA ASP A 102 8.840 -11.313 -1.834 1.00 0.00 H new ATOM 0 HB2 ASP A 102 10.224 -8.885 -0.679 1.00 0.00 H new ATOM 0 HB3 ASP A 102 8.739 -9.364 0.117 1.00 0.00 H new ATOM 1581 N ILE A 103 7.663 -8.429 -2.758 1.00 0.00 N ATOM 1582 CA ILE A 103 6.380 -7.741 -3.085 1.00 0.00 C ATOM 1583 C ILE A 103 5.554 -7.526 -1.813 1.00 0.00 C ATOM 1584 O ILE A 103 4.377 -7.232 -1.867 1.00 0.00 O ATOM 1585 CB ILE A 103 5.662 -8.688 -4.048 1.00 0.00 C ATOM 1586 CG1 ILE A 103 6.552 -8.913 -5.277 1.00 0.00 C ATOM 1587 CG2 ILE A 103 4.330 -8.068 -4.480 1.00 0.00 C ATOM 1588 CD1 ILE A 103 5.731 -9.531 -6.410 1.00 0.00 C ATOM 0 H ILE A 103 8.507 -7.932 -3.044 1.00 0.00 H new ATOM 0 HA ILE A 103 6.536 -6.756 -3.525 1.00 0.00 H new ATOM 0 HB ILE A 103 5.467 -9.641 -3.555 1.00 0.00 H new ATOM 0 HG12 ILE A 103 6.982 -7.966 -5.603 1.00 0.00 H new ATOM 0 HG13 ILE A 103 7.383 -9.569 -5.019 1.00 0.00 H new ATOM 0 HG21 ILE A 103 3.820 -8.744 -5.166 1.00 0.00 H new ATOM 0 HG22 ILE A 103 3.705 -7.901 -3.603 1.00 0.00 H new ATOM 0 HG23 ILE A 103 4.516 -7.117 -4.979 1.00 0.00 H new ATOM 0 HD11 ILE A 103 6.370 -9.688 -7.279 1.00 0.00 H new ATOM 0 HD12 ILE A 103 5.322 -10.487 -6.083 1.00 0.00 H new ATOM 0 HD13 ILE A 103 4.915 -8.859 -6.676 1.00 0.00 H new ATOM 1600 N SER A 104 6.162 -7.663 -0.668 1.00 0.00 N ATOM 1601 CA SER A 104 5.410 -7.461 0.602 1.00 0.00 C ATOM 1602 C SER A 104 4.270 -8.478 0.709 1.00 0.00 C ATOM 1603 O SER A 104 3.334 -8.459 -0.066 1.00 0.00 O ATOM 1604 CB SER A 104 4.859 -6.037 0.512 1.00 0.00 C ATOM 1605 OG SER A 104 3.438 -6.074 0.540 1.00 0.00 O ATOM 0 H SER A 104 7.146 -7.906 -0.556 1.00 0.00 H new ATOM 0 HA SER A 104 6.038 -7.598 1.483 1.00 0.00 H new ATOM 0 HB2 SER A 104 5.234 -5.438 1.342 1.00 0.00 H new ATOM 0 HB3 SER A 104 5.203 -5.560 -0.406 1.00 0.00 H new ATOM 0 HG SER A 104 3.114 -6.708 -0.134 1.00 0.00 H new ATOM 1611 N ASP A 105 4.339 -9.361 1.665 1.00 0.00 N ATOM 1612 CA ASP A 105 3.256 -10.374 1.822 1.00 0.00 C ATOM 1613 C ASP A 105 1.939 -9.679 2.169 1.00 0.00 C ATOM 1614 O ASP A 105 1.011 -9.652 1.386 1.00 0.00 O ATOM 1615 CB ASP A 105 3.714 -11.268 2.975 1.00 0.00 C ATOM 1616 CG ASP A 105 3.434 -12.732 2.631 1.00 0.00 C ATOM 1617 OD1 ASP A 105 2.832 -12.973 1.598 1.00 0.00 O ATOM 1618 OD2 ASP A 105 3.826 -13.588 3.408 1.00 0.00 O ATOM 0 H ASP A 105 5.097 -9.426 2.344 1.00 0.00 H new ATOM 0 HA ASP A 105 3.085 -10.946 0.910 1.00 0.00 H new ATOM 0 HB2 ASP A 105 4.779 -11.124 3.159 1.00 0.00 H new ATOM 0 HB3 ASP A 105 3.192 -10.993 3.891 1.00 0.00 H new ATOM 1623 N ILE A 106 1.858 -9.112 3.338 1.00 0.00 N ATOM 1624 CA ILE A 106 0.606 -8.409 3.747 1.00 0.00 C ATOM 1625 C ILE A 106 0.958 -7.210 4.630 1.00 0.00 C ATOM 1626 O ILE A 106 1.525 -7.360 5.694 1.00 0.00 O ATOM 1627 CB ILE A 106 -0.217 -9.433 4.544 1.00 0.00 C ATOM 1628 CG1 ILE A 106 0.077 -10.856 4.054 1.00 0.00 C ATOM 1629 CG2 ILE A 106 -1.707 -9.138 4.357 1.00 0.00 C ATOM 1630 CD1 ILE A 106 -0.655 -11.863 4.942 1.00 0.00 C ATOM 0 H ILE A 106 2.605 -9.103 4.032 1.00 0.00 H new ATOM 0 HA ILE A 106 0.048 -8.039 2.887 1.00 0.00 H new ATOM 0 HB ILE A 106 0.053 -9.358 5.597 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -0.243 -10.969 3.018 1.00 0.00 H new ATOM 0 HG13 ILE A 106 1.150 -11.046 4.079 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -2.295 -9.862 4.921 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -1.927 -8.133 4.717 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -1.962 -9.208 3.300 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -0.446 -12.875 4.594 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -0.313 -11.756 5.972 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -1.728 -11.677 4.895 1.00 0.00 H new ATOM 1642 N VAL A 107 0.636 -6.021 4.200 1.00 0.00 N ATOM 1643 CA VAL A 107 0.966 -4.822 5.021 1.00 0.00 C ATOM 1644 C VAL A 107 -0.308 -4.227 5.632 1.00 0.00 C ATOM 1645 O VAL A 107 -1.132 -3.667 4.942 1.00 0.00 O ATOM 1646 CB VAL A 107 1.600 -3.841 4.032 1.00 0.00 C ATOM 1647 CG1 VAL A 107 2.301 -2.716 4.794 1.00 0.00 C ATOM 1648 CG2 VAL A 107 2.623 -4.584 3.166 1.00 0.00 C ATOM 0 H VAL A 107 0.160 -5.828 3.319 1.00 0.00 H new ATOM 0 HA VAL A 107 1.631 -5.056 5.853 1.00 0.00 H new ATOM 0 HB VAL A 107 0.822 -3.415 3.399 1.00 0.00 H new ATOM 0 HG11 VAL A 107 2.750 -2.021 4.085 1.00 0.00 H new ATOM 0 HG12 VAL A 107 1.575 -2.186 5.410 1.00 0.00 H new ATOM 0 HG13 VAL A 107 3.079 -3.138 5.431 1.00 0.00 H new ATOM 0 HG21 VAL A 107 3.076 -3.888 2.460 1.00 0.00 H new ATOM 0 HG22 VAL A 107 3.398 -5.011 3.803 1.00 0.00 H new ATOM 0 HG23 VAL A 107 2.124 -5.383 2.618 1.00 0.00 H new ATOM 1658 N ASP A 108 -0.475 -4.340 6.922 1.00 0.00 N ATOM 1659 CA ASP A 108 -1.699 -3.770 7.565 1.00 0.00 C ATOM 1660 C ASP A 108 -1.318 -2.544 8.399 1.00 0.00 C ATOM 1661 O ASP A 108 -0.500 -2.624 9.293 1.00 0.00 O ATOM 1662 CB ASP A 108 -2.286 -4.877 8.457 1.00 0.00 C ATOM 1663 CG ASP A 108 -1.812 -6.260 7.994 1.00 0.00 C ATOM 1664 OD1 ASP A 108 -1.708 -6.457 6.794 1.00 0.00 O ATOM 1665 OD2 ASP A 108 -1.562 -7.096 8.846 1.00 0.00 O ATOM 0 H ASP A 108 0.178 -4.799 7.557 1.00 0.00 H new ATOM 0 HA ASP A 108 -2.431 -3.450 6.823 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -1.986 -4.713 9.492 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -3.375 -4.833 8.429 1.00 0.00 H new ATOM 1670 N THR A 109 -1.896 -1.404 8.110 1.00 0.00 N ATOM 1671 CA THR A 109 -1.549 -0.180 8.887 1.00 0.00 C ATOM 1672 C THR A 109 -2.726 0.797 8.879 1.00 0.00 C ATOM 1673 O THR A 109 -3.817 0.462 8.463 1.00 0.00 O ATOM 1674 CB THR A 109 -0.350 0.426 8.155 1.00 0.00 C ATOM 1675 OG1 THR A 109 -0.502 0.226 6.756 1.00 0.00 O ATOM 1676 CG2 THR A 109 0.940 -0.246 8.631 1.00 0.00 C ATOM 0 H THR A 109 -2.589 -1.271 7.373 1.00 0.00 H new ATOM 0 HA THR A 109 -1.322 -0.402 9.930 1.00 0.00 H new ATOM 0 HB THR A 109 -0.298 1.494 8.368 1.00 0.00 H new ATOM 0 HG1 THR A 109 -1.070 0.933 6.384 1.00 0.00 H new ATOM 0 HG21 THR A 109 1.791 0.189 8.107 1.00 0.00 H new ATOM 0 HG22 THR A 109 1.056 -0.091 9.704 1.00 0.00 H new ATOM 0 HG23 THR A 109 0.892 -1.315 8.422 1.00 0.00 H new ATOM 1684 N ASP A 110 -2.514 2.002 9.331 1.00 0.00 N ATOM 1685 CA ASP A 110 -3.623 2.997 9.340 1.00 0.00 C ATOM 1686 C ASP A 110 -4.392 2.928 8.020 1.00 0.00 C ATOM 1687 O ASP A 110 -3.877 2.475 7.017 1.00 0.00 O ATOM 1688 CB ASP A 110 -2.939 4.355 9.493 1.00 0.00 C ATOM 1689 CG ASP A 110 -3.959 5.471 9.262 1.00 0.00 C ATOM 1690 OD1 ASP A 110 -4.939 5.509 9.987 1.00 0.00 O ATOM 1691 OD2 ASP A 110 -3.745 6.267 8.363 1.00 0.00 O ATOM 0 H ASP A 110 -1.623 2.340 9.694 1.00 0.00 H new ATOM 0 HA ASP A 110 -4.340 2.814 10.140 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -2.505 4.445 10.489 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -2.120 4.444 8.779 1.00 0.00 H new ATOM 1696 N SER A 111 -5.621 3.369 8.012 1.00 0.00 N ATOM 1697 CA SER A 111 -6.430 3.329 6.755 1.00 0.00 C ATOM 1698 C SER A 111 -6.839 1.892 6.423 1.00 0.00 C ATOM 1699 O SER A 111 -7.998 1.604 6.199 1.00 0.00 O ATOM 1700 CB SER A 111 -5.521 3.893 5.663 1.00 0.00 C ATOM 1701 OG SER A 111 -6.188 4.960 5.001 1.00 0.00 O ATOM 0 H SER A 111 -6.103 3.757 8.823 1.00 0.00 H new ATOM 0 HA SER A 111 -7.351 3.905 6.851 1.00 0.00 H new ATOM 0 HB2 SER A 111 -4.587 4.247 6.099 1.00 0.00 H new ATOM 0 HB3 SER A 111 -5.263 3.111 4.949 1.00 0.00 H new ATOM 0 HG SER A 111 -6.007 4.912 4.039 1.00 0.00 H new ATOM 1707 N GLY A 112 -5.900 0.990 6.383 1.00 0.00 N ATOM 1708 CA GLY A 112 -6.240 -0.421 6.060 1.00 0.00 C ATOM 1709 C GLY A 112 -4.957 -1.168 5.714 1.00 0.00 C ATOM 1710 O GLY A 112 -3.879 -0.787 6.125 1.00 0.00 O ATOM 0 H GLY A 112 -4.912 1.169 6.560 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -6.735 -0.894 6.908 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -6.937 -0.459 5.223 1.00 0.00 H new ATOM 1714 N VAL A 113 -5.053 -2.225 4.960 1.00 0.00 N ATOM 1715 CA VAL A 113 -3.822 -2.973 4.599 1.00 0.00 C ATOM 1716 C VAL A 113 -3.308 -2.509 3.236 1.00 0.00 C ATOM 1717 O VAL A 113 -4.063 -2.307 2.306 1.00 0.00 O ATOM 1718 CB VAL A 113 -4.232 -4.446 4.585 1.00 0.00 C ATOM 1719 CG1 VAL A 113 -4.867 -4.809 5.930 1.00 0.00 C ATOM 1720 CG2 VAL A 113 -5.247 -4.686 3.472 1.00 0.00 C ATOM 0 H VAL A 113 -5.923 -2.600 4.581 1.00 0.00 H new ATOM 0 HA VAL A 113 -3.007 -2.806 5.303 1.00 0.00 H new ATOM 0 HB VAL A 113 -3.350 -5.064 4.413 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -5.160 -5.859 5.922 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -4.147 -4.639 6.730 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -5.747 -4.188 6.096 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -5.537 -5.737 3.465 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -6.128 -4.067 3.643 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -4.802 -4.426 2.512 1.00 0.00 H new ATOM 1730 N HIS A 114 -2.024 -2.310 3.129 1.00 0.00 N ATOM 1731 CA HIS A 114 -1.439 -1.827 1.849 1.00 0.00 C ATOM 1732 C HIS A 114 -0.481 -2.866 1.255 1.00 0.00 C ATOM 1733 O HIS A 114 -0.328 -3.963 1.760 1.00 0.00 O ATOM 1734 CB HIS A 114 -0.639 -0.576 2.234 1.00 0.00 C ATOM 1735 CG HIS A 114 -1.397 0.274 3.221 1.00 0.00 C ATOM 1736 ND1 HIS A 114 -1.615 1.628 3.011 1.00 0.00 N ATOM 1737 CD2 HIS A 114 -1.956 -0.008 4.445 1.00 0.00 C ATOM 1738 CE1 HIS A 114 -2.274 2.105 4.082 1.00 0.00 C ATOM 1739 NE2 HIS A 114 -2.508 1.150 4.986 1.00 0.00 N ATOM 0 H HIS A 114 -1.350 -2.463 3.880 1.00 0.00 H new ATOM 0 HA HIS A 114 -2.213 -1.635 1.106 1.00 0.00 H new ATOM 0 HB2 HIS A 114 0.318 -0.871 2.664 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -0.420 0.008 1.340 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -1.965 -0.980 4.915 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -2.577 3.135 4.197 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -2.988 1.248 5.881 1.00 0.00 H new ATOM 1747 N ILE A 115 0.187 -2.494 0.198 1.00 0.00 N ATOM 1748 CA ILE A 115 1.181 -3.399 -0.445 1.00 0.00 C ATOM 1749 C ILE A 115 2.422 -2.562 -0.776 1.00 0.00 C ATOM 1750 O ILE A 115 2.391 -1.352 -0.671 1.00 0.00 O ATOM 1751 CB ILE A 115 0.502 -3.935 -1.716 1.00 0.00 C ATOM 1752 CG1 ILE A 115 0.577 -2.889 -2.832 1.00 0.00 C ATOM 1753 CG2 ILE A 115 -0.967 -4.255 -1.420 1.00 0.00 C ATOM 1754 CD1 ILE A 115 -0.221 -3.376 -4.044 1.00 0.00 C ATOM 0 H ILE A 115 0.084 -1.586 -0.255 1.00 0.00 H new ATOM 0 HA ILE A 115 1.490 -4.231 0.187 1.00 0.00 H new ATOM 0 HB ILE A 115 1.017 -4.841 -2.036 1.00 0.00 H new ATOM 0 HG12 ILE A 115 0.179 -1.937 -2.480 1.00 0.00 H new ATOM 0 HG13 ILE A 115 1.616 -2.716 -3.113 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -1.446 -4.635 -2.323 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -1.024 -5.009 -0.635 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -1.478 -3.350 -1.092 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -0.167 -2.631 -4.838 1.00 0.00 H new ATOM 0 HD12 ILE A 115 0.197 -4.317 -4.401 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -1.262 -3.527 -3.758 1.00 0.00 H new ATOM 1766 N ILE A 116 3.515 -3.166 -1.152 1.00 0.00 N ATOM 1767 CA ILE A 116 4.724 -2.342 -1.451 1.00 0.00 C ATOM 1768 C ILE A 116 5.529 -2.929 -2.617 1.00 0.00 C ATOM 1769 O ILE A 116 5.466 -4.107 -2.909 1.00 0.00 O ATOM 1770 CB ILE A 116 5.533 -2.354 -0.147 1.00 0.00 C ATOM 1771 CG1 ILE A 116 5.045 -1.218 0.753 1.00 0.00 C ATOM 1772 CG2 ILE A 116 7.024 -2.153 -0.443 1.00 0.00 C ATOM 1773 CD1 ILE A 116 4.712 -1.769 2.138 1.00 0.00 C ATOM 0 H ILE A 116 3.626 -4.174 -1.264 1.00 0.00 H new ATOM 0 HA ILE A 116 4.464 -1.330 -1.762 1.00 0.00 H new ATOM 0 HB ILE A 116 5.396 -3.315 0.348 1.00 0.00 H new ATOM 0 HG12 ILE A 116 5.812 -0.448 0.832 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.164 -0.747 0.316 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.585 -2.164 0.491 1.00 0.00 H new ATOM 0 HG22 ILE A 116 7.378 -2.957 -1.088 1.00 0.00 H new ATOM 0 HG23 ILE A 116 7.170 -1.195 -0.943 1.00 0.00 H new ATOM 0 HD11 ILE A 116 4.364 -0.958 2.778 1.00 0.00 H new ATOM 0 HD12 ILE A 116 3.930 -2.523 2.051 1.00 0.00 H new ATOM 0 HD13 ILE A 116 5.604 -2.219 2.575 1.00 0.00 H new ATOM 1785 N LYS A 117 6.290 -2.097 -3.278 1.00 0.00 N ATOM 1786 CA LYS A 117 7.116 -2.568 -4.428 1.00 0.00 C ATOM 1787 C LYS A 117 8.158 -1.500 -4.786 1.00 0.00 C ATOM 1788 O LYS A 117 7.844 -0.331 -4.895 1.00 0.00 O ATOM 1789 CB LYS A 117 6.123 -2.757 -5.575 1.00 0.00 C ATOM 1790 CG LYS A 117 6.662 -3.802 -6.553 1.00 0.00 C ATOM 1791 CD LYS A 117 5.554 -4.210 -7.526 1.00 0.00 C ATOM 1792 CE LYS A 117 5.655 -3.369 -8.801 1.00 0.00 C ATOM 1793 NZ LYS A 117 4.616 -3.926 -9.710 1.00 0.00 N ATOM 0 H LYS A 117 6.375 -1.102 -3.068 1.00 0.00 H new ATOM 0 HA LYS A 117 7.658 -3.487 -4.208 1.00 0.00 H new ATOM 0 HB2 LYS A 117 5.156 -3.075 -5.184 1.00 0.00 H new ATOM 0 HB3 LYS A 117 5.963 -1.810 -6.091 1.00 0.00 H new ATOM 0 HG2 LYS A 117 7.512 -3.397 -7.102 1.00 0.00 H new ATOM 0 HG3 LYS A 117 7.021 -4.675 -6.008 1.00 0.00 H new ATOM 0 HD2 LYS A 117 5.641 -5.269 -7.769 1.00 0.00 H new ATOM 0 HD3 LYS A 117 4.578 -4.069 -7.062 1.00 0.00 H new ATOM 0 HE2 LYS A 117 5.475 -2.314 -8.594 1.00 0.00 H new ATOM 0 HE3 LYS A 117 6.648 -3.441 -9.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 4.722 -3.508 -10.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 4.727 -4.958 -9.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 3.672 -3.702 -9.337 1.00 0.00 H new ATOM 1807 N ARG A 118 9.394 -1.886 -4.964 1.00 0.00 N ATOM 1808 CA ARG A 118 10.443 -0.879 -5.307 1.00 0.00 C ATOM 1809 C ARG A 118 10.891 -1.041 -6.762 1.00 0.00 C ATOM 1810 O ARG A 118 10.560 -0.242 -7.615 1.00 0.00 O ATOM 1811 CB ARG A 118 11.603 -1.168 -4.353 1.00 0.00 C ATOM 1812 CG ARG A 118 12.112 0.146 -3.756 1.00 0.00 C ATOM 1813 CD ARG A 118 12.992 0.867 -4.780 1.00 0.00 C ATOM 1814 NE ARG A 118 12.071 1.798 -5.489 1.00 0.00 N ATOM 1815 CZ ARG A 118 12.435 2.347 -6.617 1.00 0.00 C ATOM 1816 NH1 ARG A 118 13.644 2.168 -7.075 1.00 0.00 N ATOM 1817 NH2 ARG A 118 11.588 3.080 -7.285 1.00 0.00 N ATOM 0 H ARG A 118 9.722 -2.849 -4.888 1.00 0.00 H new ATOM 0 HA ARG A 118 10.075 0.142 -5.205 1.00 0.00 H new ATOM 0 HB2 ARG A 118 11.276 -1.838 -3.558 1.00 0.00 H new ATOM 0 HB3 ARG A 118 12.408 -1.674 -4.885 1.00 0.00 H new ATOM 0 HG2 ARG A 118 11.271 0.779 -3.474 1.00 0.00 H new ATOM 0 HG3 ARG A 118 12.681 -0.052 -2.847 1.00 0.00 H new ATOM 0 HD2 ARG A 118 13.803 1.408 -4.293 1.00 0.00 H new ATOM 0 HD3 ARG A 118 13.451 0.162 -5.473 1.00 0.00 H new ATOM 0 HE ARG A 118 11.155 2.007 -5.093 1.00 0.00 H new ATOM 0 HH11 ARG A 118 14.308 1.598 -6.552 1.00 0.00 H new ATOM 0 HH12 ARG A 118 13.924 2.598 -7.956 1.00 0.00 H new ATOM 0 HH21 ARG A 118 10.644 3.223 -6.926 1.00 0.00 H new ATOM 0 HH22 ARG A 118 11.870 3.510 -8.166 1.00 0.00 H new ATOM 1831 N THR A 119 11.648 -2.064 -7.053 1.00 0.00 N ATOM 1832 CA THR A 119 12.119 -2.265 -8.454 1.00 0.00 C ATOM 1833 C THR A 119 11.612 -3.602 -9.002 1.00 0.00 C ATOM 1834 O THR A 119 11.888 -3.966 -10.128 1.00 0.00 O ATOM 1835 CB THR A 119 13.649 -2.265 -8.368 1.00 0.00 C ATOM 1836 OG1 THR A 119 14.053 -2.032 -7.025 1.00 0.00 O ATOM 1837 CG2 THR A 119 14.208 -1.164 -9.270 1.00 0.00 C ATOM 0 H THR A 119 11.960 -2.768 -6.384 1.00 0.00 H new ATOM 0 HA THR A 119 11.749 -1.489 -9.124 1.00 0.00 H new ATOM 0 HB THR A 119 14.031 -3.232 -8.695 1.00 0.00 H new ATOM 0 HG1 THR A 119 15.032 -2.034 -6.973 1.00 0.00 H new ATOM 0 HG21 THR A 119 15.296 -1.162 -9.210 1.00 0.00 H new ATOM 0 HG22 THR A 119 13.901 -1.347 -10.300 1.00 0.00 H new ATOM 0 HG23 THR A 119 13.825 -0.197 -8.944 1.00 0.00 H new ATOM 1845 N ALA A 120 10.873 -4.336 -8.218 1.00 0.00 N ATOM 1846 CA ALA A 120 10.352 -5.647 -8.700 1.00 0.00 C ATOM 1847 C ALA A 120 9.469 -5.443 -9.935 1.00 0.00 C ATOM 1848 O ALA A 120 9.119 -4.306 -10.207 1.00 0.00 O ATOM 1849 CB ALA A 120 9.529 -6.199 -7.536 1.00 0.00 C ATOM 1850 OXT ALA A 120 9.160 -6.426 -10.586 1.00 0.00 O ATOM 0 H ALA A 120 10.607 -4.086 -7.266 1.00 0.00 H new ATOM 0 HA ALA A 120 11.152 -6.328 -8.991 1.00 0.00 H new ATOM 0 HB1 ALA A 120 9.110 -7.166 -7.813 1.00 0.00 H new ATOM 0 HB2 ALA A 120 10.169 -6.318 -6.662 1.00 0.00 H new ATOM 0 HB3 ALA A 120 8.720 -5.507 -7.302 1.00 0.00 H new