USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 778 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 72 HIS : no HD1:sc= -0.163 K(o=-0.16,f=-0.76) USER MOD Set 1.2: B 116 THR OG1 : rot -150:sc= 0 USER MOD Set 2.1: A 28 SER OG : rot 68:sc= 1.2 USER MOD Set 2.2: A 40 SER OG : rot -140:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 153:sc= 1.64 (180deg=0.833) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 CYS SG : rot 70:sc= -6.5! USER MOD Single : A 26 SER OG : rot 133:sc= -2.14 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.275 K(o=-0.28,f=-1.7!) USER MOD Single : A 34 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.0581) USER MOD Single : A 41 HIS : no HD1:sc= 0.0291 K(o=0.029,f=-1.5) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -21:sc= -2.9 USER MOD Single : A 58 GLN :FLIP amide:sc= -3! F(o=-3.7,f=-3!) USER MOD Single : A 63 ASN : amide:sc= -0.0073 X(o=-0.0073,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.0965 X(o=-0.096,f=-0.096) USER MOD Single : A 73 LYS NZ :NH3+ 178:sc= 0.0425 (180deg=0.0399) USER MOD Single : A 77 ASN : amide:sc= -0.118 K(o=-0.12,f=-1.1) USER MOD Single : A 80 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0655) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : B 111 THR OG1 : rot -23:sc= 0.135 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 9 -5.445 -2.106 -15.682 1.00 0.00 N ATOM 2 CA LYS A 9 -4.918 -2.818 -14.487 1.00 0.00 C ATOM 3 C LYS A 9 -3.844 -1.991 -13.784 1.00 0.00 C ATOM 4 O LYS A 9 -4.062 -1.475 -12.690 1.00 0.00 O ATOM 5 CB LYS A 9 -4.341 -4.162 -14.936 1.00 0.00 C ATOM 6 CG LYS A 9 -5.376 -5.095 -15.541 1.00 0.00 C ATOM 7 CD LYS A 9 -5.034 -6.553 -15.278 1.00 0.00 C ATOM 8 CE LYS A 9 -5.342 -6.945 -13.842 1.00 0.00 C ATOM 9 NZ LYS A 9 -4.413 -7.996 -13.343 1.00 0.00 N ATOM 0 HA LYS A 9 -5.729 -2.976 -13.776 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -3.553 -3.984 -15.667 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -3.877 -4.653 -14.081 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -6.358 -4.870 -15.125 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.438 -4.923 -16.616 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -5.599 -7.189 -15.959 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.977 -6.723 -15.485 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -5.272 -6.065 -13.202 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -6.368 -7.306 -13.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.656 -8.236 -12.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.498 -8.845 -13.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.436 -7.642 -13.382 1.00 0.00 H new ATOM 25 N GLU A 10 -2.684 -1.871 -14.423 1.00 0.00 N ATOM 26 CA GLU A 10 -1.578 -1.107 -13.860 1.00 0.00 C ATOM 27 C GLU A 10 -1.926 0.377 -13.791 1.00 0.00 C ATOM 28 O GLU A 10 -2.111 1.030 -14.818 1.00 0.00 O ATOM 29 CB GLU A 10 -0.312 -1.311 -14.697 1.00 0.00 C ATOM 30 CG GLU A 10 0.750 -2.146 -14.000 1.00 0.00 C ATOM 31 CD GLU A 10 0.544 -3.635 -14.196 1.00 0.00 C ATOM 32 OE1 GLU A 10 0.011 -4.026 -15.256 1.00 0.00 O ATOM 33 OE2 GLU A 10 0.917 -4.410 -13.291 1.00 0.00 O ATOM 0 H GLU A 10 -2.487 -2.293 -15.330 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.395 -1.467 -12.847 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.582 -1.792 -15.637 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.109 -0.337 -14.947 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.733 -1.866 -14.379 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.743 -1.919 -12.934 1.00 0.00 H new ATOM 40 N LYS A 11 -2.013 0.905 -12.574 1.00 0.00 N ATOM 41 CA LYS A 11 -2.341 2.313 -12.375 1.00 0.00 C ATOM 42 C LYS A 11 -1.093 3.125 -12.033 1.00 0.00 C ATOM 43 O LYS A 11 -0.195 2.647 -11.339 1.00 0.00 O ATOM 44 CB LYS A 11 -3.390 2.464 -11.268 1.00 0.00 C ATOM 45 CG LYS A 11 -3.731 3.909 -10.942 1.00 0.00 C ATOM 46 CD LYS A 11 -4.992 4.006 -10.097 1.00 0.00 C ATOM 47 CE LYS A 11 -4.709 3.701 -8.635 1.00 0.00 C ATOM 48 NZ LYS A 11 -5.938 3.792 -7.799 1.00 0.00 N ATOM 0 H LYS A 11 -1.861 0.381 -11.712 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.752 2.699 -13.308 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.300 1.944 -11.568 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.026 1.973 -10.365 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.899 4.369 -10.410 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.867 4.470 -11.867 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.414 5.007 -10.186 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.740 3.310 -10.477 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.285 2.701 -8.549 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.961 4.398 -8.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.841 3.172 -6.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.071 4.774 -7.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.762 3.494 -8.359 1.00 0.00 H new ATOM 62 N LYS A 12 -1.041 4.359 -12.528 1.00 0.00 N ATOM 63 CA LYS A 12 0.096 5.235 -12.275 1.00 0.00 C ATOM 64 C LYS A 12 -0.263 6.309 -11.253 1.00 0.00 C ATOM 65 O LYS A 12 -1.297 6.968 -11.367 1.00 0.00 O ATOM 66 CB LYS A 12 0.566 5.887 -13.579 1.00 0.00 C ATOM 67 CG LYS A 12 1.911 5.373 -14.064 1.00 0.00 C ATOM 68 CD LYS A 12 3.043 6.301 -13.654 1.00 0.00 C ATOM 69 CE LYS A 12 4.365 5.555 -13.548 1.00 0.00 C ATOM 70 NZ LYS A 12 5.129 5.596 -14.826 1.00 0.00 N ATOM 0 H LYS A 12 -1.773 4.773 -13.106 1.00 0.00 H new ATOM 0 HA LYS A 12 0.907 4.630 -11.869 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -0.181 5.712 -14.353 1.00 0.00 H new ATOM 0 HB3 LYS A 12 0.629 6.966 -13.434 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.090 4.378 -13.657 1.00 0.00 H new ATOM 0 HG3 LYS A 12 1.894 5.275 -15.149 1.00 0.00 H new ATOM 0 HD2 LYS A 12 3.136 7.107 -14.382 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.807 6.763 -12.695 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.966 5.993 -12.751 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.176 4.518 -13.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.023 5.077 -14.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.566 5.155 -15.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.332 6.584 -15.077 1.00 0.00 H new ATOM 84 N VAL A 13 0.597 6.477 -10.253 1.00 0.00 N ATOM 85 CA VAL A 13 0.369 7.470 -9.210 1.00 0.00 C ATOM 86 C VAL A 13 1.659 8.208 -8.863 1.00 0.00 C ATOM 87 O VAL A 13 2.742 7.624 -8.873 1.00 0.00 O ATOM 88 CB VAL A 13 -0.200 6.820 -7.933 1.00 0.00 C ATOM 89 CG1 VAL A 13 -0.523 7.878 -6.889 1.00 0.00 C ATOM 90 CG2 VAL A 13 -1.432 5.993 -8.262 1.00 0.00 C ATOM 0 H VAL A 13 1.457 5.939 -10.143 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.358 8.182 -9.601 1.00 0.00 H new ATOM 0 HB VAL A 13 0.558 6.156 -7.518 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.923 7.398 -5.996 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.385 8.424 -6.632 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.262 8.571 -7.290 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.821 5.541 -7.350 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.194 6.635 -8.703 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.165 5.209 -8.970 1.00 0.00 H new ATOM 100 N PHE A 14 1.533 9.495 -8.559 1.00 0.00 N ATOM 101 CA PHE A 14 2.687 10.315 -8.208 1.00 0.00 C ATOM 102 C PHE A 14 2.431 11.085 -6.916 1.00 0.00 C ATOM 103 O PHE A 14 1.436 11.800 -6.795 1.00 0.00 O ATOM 104 CB PHE A 14 3.013 11.292 -9.341 1.00 0.00 C ATOM 105 CG PHE A 14 2.868 10.698 -10.713 1.00 0.00 C ATOM 106 CD1 PHE A 14 1.620 10.585 -11.305 1.00 0.00 C ATOM 107 CD2 PHE A 14 3.979 10.250 -11.411 1.00 0.00 C ATOM 108 CE1 PHE A 14 1.482 10.039 -12.566 1.00 0.00 C ATOM 109 CE2 PHE A 14 3.848 9.702 -12.673 1.00 0.00 C ATOM 110 CZ PHE A 14 2.597 9.596 -13.252 1.00 0.00 C ATOM 0 H PHE A 14 0.643 9.993 -8.549 1.00 0.00 H new ATOM 0 HA PHE A 14 3.539 9.652 -8.055 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.358 12.160 -9.260 1.00 0.00 H new ATOM 0 HB3 PHE A 14 4.035 11.651 -9.216 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.745 10.928 -10.774 1.00 0.00 H new ATOM 0 HD2 PHE A 14 4.959 10.330 -10.963 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.503 9.958 -13.016 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.722 9.357 -13.206 1.00 0.00 H new ATOM 0 HZ PHE A 14 2.491 9.168 -14.238 1.00 0.00 H new ATOM 120 N ILE A 15 3.333 10.933 -5.951 1.00 0.00 N ATOM 121 CA ILE A 15 3.200 11.613 -4.668 1.00 0.00 C ATOM 122 C ILE A 15 4.309 12.641 -4.472 1.00 0.00 C ATOM 123 O ILE A 15 5.491 12.300 -4.467 1.00 0.00 O ATOM 124 CB ILE A 15 3.228 10.614 -3.496 1.00 0.00 C ATOM 125 CG1 ILE A 15 2.234 9.477 -3.745 1.00 0.00 C ATOM 126 CG2 ILE A 15 2.914 11.322 -2.187 1.00 0.00 C ATOM 127 CD1 ILE A 15 0.809 9.950 -3.929 1.00 0.00 C ATOM 0 H ILE A 15 4.163 10.346 -6.033 1.00 0.00 H new ATOM 0 HA ILE A 15 2.236 12.121 -4.679 1.00 0.00 H new ATOM 0 HB ILE A 15 4.229 10.189 -3.424 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.542 8.924 -4.632 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.272 8.782 -2.906 1.00 0.00 H new ATOM 0 HG21 ILE A 15 2.938 10.602 -1.369 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.656 12.100 -2.007 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.923 11.772 -2.245 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.160 9.091 -4.101 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.482 10.478 -3.033 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.756 10.622 -4.786 1.00 0.00 H new ATOM 139 N SER A 16 3.918 13.902 -4.313 1.00 0.00 N ATOM 140 CA SER A 16 4.880 14.981 -4.117 1.00 0.00 C ATOM 141 C SER A 16 4.373 15.977 -3.078 1.00 0.00 C ATOM 142 O SER A 16 3.207 16.372 -3.099 1.00 0.00 O ATOM 143 CB SER A 16 5.148 15.700 -5.440 1.00 0.00 C ATOM 144 OG SER A 16 3.960 16.277 -5.958 1.00 0.00 O ATOM 0 H SER A 16 2.943 14.201 -4.316 1.00 0.00 H new ATOM 0 HA SER A 16 5.810 14.544 -3.754 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.898 16.477 -5.290 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.559 14.996 -6.163 1.00 0.00 H new ATOM 0 HG SER A 16 4.159 16.732 -6.803 1.00 0.00 H new ATOM 150 N LEU A 17 5.256 16.378 -2.170 1.00 0.00 N ATOM 151 CA LEU A 17 4.898 17.327 -1.123 1.00 0.00 C ATOM 152 C LEU A 17 4.529 18.681 -1.720 1.00 0.00 C ATOM 153 O LEU A 17 5.397 19.434 -2.161 1.00 0.00 O ATOM 154 CB LEU A 17 6.055 17.486 -0.134 1.00 0.00 C ATOM 155 CG LEU A 17 5.695 17.226 1.331 1.00 0.00 C ATOM 156 CD1 LEU A 17 4.681 18.249 1.819 1.00 0.00 C ATOM 157 CD2 LEU A 17 5.156 15.814 1.504 1.00 0.00 C ATOM 0 H LEU A 17 6.225 16.060 -2.138 1.00 0.00 H new ATOM 0 HA LEU A 17 4.029 16.937 -0.593 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.855 16.805 -0.422 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.451 18.498 -0.221 1.00 0.00 H new ATOM 0 HG LEU A 17 6.599 17.325 1.932 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.436 18.050 2.862 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.103 19.250 1.730 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.776 18.181 1.215 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.905 15.646 2.551 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.263 15.688 0.892 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.913 15.095 1.193 1.00 0.00 H new ATOM 169 N VAL A 18 3.235 18.985 -1.730 1.00 0.00 N ATOM 170 CA VAL A 18 2.751 20.248 -2.271 1.00 0.00 C ATOM 171 C VAL A 18 2.994 21.394 -1.296 1.00 0.00 C ATOM 172 O VAL A 18 3.241 22.529 -1.703 1.00 0.00 O ATOM 173 CB VAL A 18 1.248 20.179 -2.600 1.00 0.00 C ATOM 174 CG1 VAL A 18 0.986 19.157 -3.696 1.00 0.00 C ATOM 175 CG2 VAL A 18 0.440 19.854 -1.352 1.00 0.00 C ATOM 0 H VAL A 18 2.503 18.373 -1.369 1.00 0.00 H new ATOM 0 HA VAL A 18 3.309 20.432 -3.189 1.00 0.00 H new ATOM 0 HB VAL A 18 0.931 21.156 -2.964 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.081 19.123 -3.914 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.531 19.441 -4.596 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.320 18.174 -3.364 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.619 19.810 -1.606 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.758 18.891 -0.953 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.601 20.628 -0.602 1.00 0.00 H new ATOM 185 N GLY A 19 2.923 21.089 -0.004 1.00 0.00 N ATOM 186 CA GLY A 19 3.138 22.104 1.011 1.00 0.00 C ATOM 187 C GLY A 19 3.310 21.512 2.396 1.00 0.00 C ATOM 188 O GLY A 19 4.429 21.217 2.819 1.00 0.00 O ATOM 0 H GLY A 19 2.720 20.157 0.358 1.00 0.00 H new ATOM 0 HA2 GLY A 19 4.023 22.687 0.756 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.293 22.793 1.016 1.00 0.00 H new ATOM 192 N SER A 20 2.201 21.340 3.106 1.00 0.00 N ATOM 193 CA SER A 20 2.234 20.780 4.453 1.00 0.00 C ATOM 194 C SER A 20 1.360 19.532 4.546 1.00 0.00 C ATOM 195 O SER A 20 0.669 19.317 5.543 1.00 0.00 O ATOM 196 CB SER A 20 1.764 21.822 5.471 1.00 0.00 C ATOM 197 OG SER A 20 2.351 23.086 5.215 1.00 0.00 O ATOM 0 H SER A 20 1.268 21.580 2.772 1.00 0.00 H new ATOM 0 HA SER A 20 3.263 20.498 4.678 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.678 21.908 5.433 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.023 21.494 6.478 1.00 0.00 H new ATOM 0 HG SER A 20 2.034 23.734 5.878 1.00 0.00 H new ATOM 203 N ARG A 21 1.397 18.711 3.502 1.00 0.00 N ATOM 204 CA ARG A 21 0.611 17.484 3.467 1.00 0.00 C ATOM 205 C ARG A 21 1.458 16.307 2.995 1.00 0.00 C ATOM 206 O ARG A 21 1.975 16.309 1.877 1.00 0.00 O ATOM 207 CB ARG A 21 -0.599 17.655 2.547 1.00 0.00 C ATOM 208 CG ARG A 21 -1.373 18.942 2.791 1.00 0.00 C ATOM 209 CD ARG A 21 -2.631 19.006 1.941 1.00 0.00 C ATOM 210 NE ARG A 21 -3.686 19.786 2.582 1.00 0.00 N ATOM 211 CZ ARG A 21 -4.742 20.275 1.937 1.00 0.00 C ATOM 212 NH1 ARG A 21 -4.889 20.064 0.634 1.00 0.00 N ATOM 213 NH2 ARG A 21 -5.655 20.977 2.595 1.00 0.00 N ATOM 0 H ARG A 21 1.963 18.873 2.669 1.00 0.00 H new ATOM 0 HA ARG A 21 0.264 17.277 4.479 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.262 17.634 1.510 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.270 16.806 2.681 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.641 19.012 3.845 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.737 19.798 2.566 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -2.392 19.446 0.973 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -2.992 17.995 1.751 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.609 19.967 3.583 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.190 19.525 0.123 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -5.701 20.441 0.145 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.548 21.142 3.596 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.464 21.352 2.100 1.00 0.00 H new ATOM 227 N GLY A 22 1.598 15.303 3.855 1.00 0.00 N ATOM 228 CA GLY A 22 2.383 14.134 3.506 1.00 0.00 C ATOM 229 C GLY A 22 1.857 13.429 2.272 1.00 0.00 C ATOM 230 O GLY A 22 2.119 13.855 1.147 1.00 0.00 O ATOM 0 H GLY A 22 1.182 15.278 4.786 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.418 14.432 3.337 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.385 13.438 4.345 1.00 0.00 H new ATOM 234 N LEU A 23 1.113 12.349 2.483 1.00 0.00 N ATOM 235 CA LEU A 23 0.547 11.581 1.383 1.00 0.00 C ATOM 236 C LEU A 23 -0.975 11.530 1.498 1.00 0.00 C ATOM 237 O LEU A 23 -1.689 11.927 0.578 1.00 0.00 O ATOM 238 CB LEU A 23 1.140 10.170 1.377 1.00 0.00 C ATOM 239 CG LEU A 23 0.374 9.132 0.559 1.00 0.00 C ATOM 240 CD1 LEU A 23 0.066 9.660 -0.833 1.00 0.00 C ATOM 241 CD2 LEU A 23 1.166 7.836 0.475 1.00 0.00 C ATOM 0 H LEU A 23 0.888 11.986 3.409 1.00 0.00 H new ATOM 0 HA LEU A 23 0.798 12.068 0.441 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.159 10.226 0.995 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.204 9.819 2.407 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.572 8.930 1.061 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.480 8.903 -1.397 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.541 10.562 -0.754 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.998 9.894 -1.348 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.608 7.106 -0.111 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.127 8.027 -0.003 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.332 7.445 1.479 1.00 0.00 H new ATOM 253 N GLY A 24 -1.465 11.051 2.638 1.00 0.00 N ATOM 254 CA GLY A 24 -2.899 10.972 2.854 1.00 0.00 C ATOM 255 C GLY A 24 -3.414 9.548 2.959 1.00 0.00 C ATOM 256 O GLY A 24 -4.604 9.333 3.187 1.00 0.00 O ATOM 0 H GLY A 24 -0.895 10.717 3.415 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.152 11.510 3.767 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.411 11.476 2.035 1.00 0.00 H new ATOM 260 N CYS A 25 -2.526 8.570 2.797 1.00 0.00 N ATOM 261 CA CYS A 25 -2.919 7.167 2.878 1.00 0.00 C ATOM 262 C CYS A 25 -1.879 6.347 3.632 1.00 0.00 C ATOM 263 O CYS A 25 -0.762 6.805 3.869 1.00 0.00 O ATOM 264 CB CYS A 25 -3.134 6.585 1.479 1.00 0.00 C ATOM 265 SG CYS A 25 -1.619 6.385 0.512 1.00 0.00 S ATOM 0 H CYS A 25 -1.535 8.722 2.610 1.00 0.00 H new ATOM 0 HA CYS A 25 -3.859 7.117 3.428 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -3.621 5.614 1.573 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -3.818 7.233 0.930 1.00 0.00 H new ATOM 0 HG CYS A 25 -0.901 5.429 1.023 1.00 0.00 H new ATOM 271 N SER A 26 -2.256 5.129 4.009 1.00 0.00 N ATOM 272 CA SER A 26 -1.358 4.240 4.738 1.00 0.00 C ATOM 273 C SER A 26 -1.019 3.010 3.901 1.00 0.00 C ATOM 274 O SER A 26 -1.566 2.818 2.817 1.00 0.00 O ATOM 275 CB SER A 26 -1.995 3.811 6.062 1.00 0.00 C ATOM 276 OG SER A 26 -1.276 2.741 6.651 1.00 0.00 O ATOM 0 H SER A 26 -3.178 4.735 3.821 1.00 0.00 H new ATOM 0 HA SER A 26 -0.436 4.783 4.947 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.020 4.658 6.748 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.028 3.508 5.891 1.00 0.00 H new ATOM 0 HG SER A 26 -1.124 2.932 7.600 1.00 0.00 H new ATOM 282 N ILE A 27 -0.109 2.184 4.406 1.00 0.00 N ATOM 283 CA ILE A 27 0.298 0.975 3.701 1.00 0.00 C ATOM 284 C ILE A 27 0.520 -0.177 4.676 1.00 0.00 C ATOM 285 O ILE A 27 0.858 0.038 5.839 1.00 0.00 O ATOM 286 CB ILE A 27 1.582 1.199 2.882 1.00 0.00 C ATOM 287 CG1 ILE A 27 2.680 1.797 3.761 1.00 0.00 C ATOM 288 CG2 ILE A 27 1.299 2.104 1.692 1.00 0.00 C ATOM 289 CD1 ILE A 27 4.021 1.883 3.069 1.00 0.00 C ATOM 0 H ILE A 27 0.360 2.330 5.300 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.512 0.721 3.018 1.00 0.00 H new ATOM 0 HB ILE A 27 1.928 0.235 2.509 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.378 2.795 4.078 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.783 1.193 4.663 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.216 2.253 1.122 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.547 1.641 1.054 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.931 3.067 2.047 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.754 2.316 3.749 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.344 0.884 2.776 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.933 2.511 2.182 1.00 0.00 H new ATOM 301 N SER A 28 0.317 -1.400 4.196 1.00 0.00 N ATOM 302 CA SER A 28 0.486 -2.584 5.032 1.00 0.00 C ATOM 303 C SER A 28 1.006 -3.767 4.220 1.00 0.00 C ATOM 304 O SER A 28 0.919 -3.776 2.991 1.00 0.00 O ATOM 305 CB SER A 28 -0.839 -2.952 5.700 1.00 0.00 C ATOM 306 OG SER A 28 -1.940 -2.475 4.946 1.00 0.00 O ATOM 0 H SER A 28 0.036 -1.597 3.235 1.00 0.00 H new ATOM 0 HA SER A 28 1.223 -2.349 5.800 1.00 0.00 H new ATOM 0 HB2 SER A 28 -0.908 -4.035 5.806 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.873 -2.531 6.705 1.00 0.00 H new ATOM 0 HG SER A 28 -1.988 -2.959 4.095 1.00 0.00 H new ATOM 312 N SER A 29 1.546 -4.764 4.916 1.00 0.00 N ATOM 313 CA SER A 29 2.080 -5.956 4.264 1.00 0.00 C ATOM 314 C SER A 29 1.135 -7.139 4.448 1.00 0.00 C ATOM 315 O SER A 29 0.464 -7.255 5.474 1.00 0.00 O ATOM 316 CB SER A 29 3.461 -6.295 4.829 1.00 0.00 C ATOM 317 OG SER A 29 4.339 -6.731 3.807 1.00 0.00 O ATOM 0 H SER A 29 1.625 -4.770 5.933 1.00 0.00 H new ATOM 0 HA SER A 29 2.174 -5.750 3.198 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.880 -5.418 5.323 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.366 -7.073 5.587 1.00 0.00 H new ATOM 0 HG SER A 29 5.215 -6.939 4.195 1.00 0.00 H new ATOM 323 N GLY A 30 1.080 -8.010 3.446 1.00 0.00 N ATOM 324 CA GLY A 30 0.203 -9.165 3.514 1.00 0.00 C ATOM 325 C GLY A 30 0.899 -10.412 4.028 1.00 0.00 C ATOM 326 O GLY A 30 2.017 -10.339 4.535 1.00 0.00 O ATOM 0 H GLY A 30 1.627 -7.937 2.588 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.642 -8.934 4.163 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.202 -9.365 2.522 1.00 0.00 H new ATOM 330 N PRO A 31 0.248 -11.583 3.908 1.00 0.00 N ATOM 331 CA PRO A 31 0.809 -12.857 4.370 1.00 0.00 C ATOM 332 C PRO A 31 1.928 -13.366 3.465 1.00 0.00 C ATOM 333 O PRO A 31 2.467 -12.622 2.647 1.00 0.00 O ATOM 334 CB PRO A 31 -0.391 -13.805 4.323 1.00 0.00 C ATOM 335 CG PRO A 31 -1.271 -13.245 3.259 1.00 0.00 C ATOM 336 CD PRO A 31 -1.095 -11.752 3.319 1.00 0.00 C ATOM 0 HA PRO A 31 1.265 -12.768 5.356 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.083 -14.823 4.087 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -0.905 -13.842 5.284 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -0.992 -13.632 2.279 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -2.312 -13.522 3.427 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.158 -11.301 2.329 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -1.864 -11.282 3.933 1.00 0.00 H new ATOM 344 N ILE A 32 2.272 -14.641 3.624 1.00 0.00 N ATOM 345 CA ILE A 32 3.326 -15.259 2.828 1.00 0.00 C ATOM 346 C ILE A 32 2.797 -15.724 1.475 1.00 0.00 C ATOM 347 O ILE A 32 3.543 -15.801 0.500 1.00 0.00 O ATOM 348 CB ILE A 32 3.950 -16.460 3.562 1.00 0.00 C ATOM 349 CG1 ILE A 32 4.354 -16.065 4.983 1.00 0.00 C ATOM 350 CG2 ILE A 32 5.152 -16.989 2.792 1.00 0.00 C ATOM 351 CD1 ILE A 32 3.314 -16.416 6.026 1.00 0.00 C ATOM 0 H ILE A 32 1.834 -15.267 4.299 1.00 0.00 H new ATOM 0 HA ILE A 32 4.091 -14.498 2.672 1.00 0.00 H new ATOM 0 HB ILE A 32 3.205 -17.253 3.623 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.292 -16.559 5.236 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.540 -14.992 5.014 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.581 -17.838 3.325 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.836 -17.307 1.798 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.901 -16.202 2.701 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.667 -16.107 7.010 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.381 -15.901 5.797 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.144 -17.493 6.023 1.00 0.00 H new ATOM 363 N GLN A 33 1.506 -16.037 1.424 1.00 0.00 N ATOM 364 CA GLN A 33 0.881 -16.493 0.188 1.00 0.00 C ATOM 365 C GLN A 33 0.939 -15.407 -0.882 1.00 0.00 C ATOM 366 O GLN A 33 0.980 -15.701 -2.077 1.00 0.00 O ATOM 367 CB GLN A 33 -0.571 -16.898 0.446 1.00 0.00 C ATOM 368 CG GLN A 33 -0.709 -18.145 1.307 1.00 0.00 C ATOM 369 CD GLN A 33 -1.517 -17.900 2.566 1.00 0.00 C ATOM 370 OE1 GLN A 33 -2.307 -16.958 2.638 1.00 0.00 O ATOM 371 NE2 GLN A 33 -1.324 -18.751 3.568 1.00 0.00 N ATOM 0 H GLN A 33 0.874 -15.983 2.223 1.00 0.00 H new ATOM 0 HA GLN A 33 1.433 -17.361 -0.172 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.090 -16.071 0.932 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -1.068 -17.069 -0.509 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.184 -18.934 0.723 1.00 0.00 H new ATOM 0 HG3 GLN A 33 0.283 -18.504 1.581 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.659 -19.518 3.465 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.841 -18.638 4.440 1.00 0.00 H new ATOM 380 N LYS A 34 0.946 -14.153 -0.443 1.00 0.00 N ATOM 381 CA LYS A 34 1.002 -13.021 -1.359 1.00 0.00 C ATOM 382 C LYS A 34 1.628 -11.805 -0.678 1.00 0.00 C ATOM 383 O LYS A 34 0.929 -10.868 -0.296 1.00 0.00 O ATOM 384 CB LYS A 34 -0.401 -12.676 -1.865 1.00 0.00 C ATOM 385 CG LYS A 34 -0.442 -12.299 -3.337 1.00 0.00 C ATOM 386 CD LYS A 34 -1.865 -12.298 -3.873 1.00 0.00 C ATOM 387 CE LYS A 34 -2.104 -11.131 -4.818 1.00 0.00 C ATOM 388 NZ LYS A 34 -2.801 -11.558 -6.063 1.00 0.00 N ATOM 0 H LYS A 34 0.914 -13.895 0.543 1.00 0.00 H new ATOM 0 HA LYS A 34 1.625 -13.300 -2.209 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.058 -13.530 -1.699 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.797 -11.849 -1.276 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -0.000 -11.312 -3.473 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.163 -13.001 -3.910 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.059 -13.235 -4.394 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.568 -12.244 -3.042 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.698 -10.370 -4.312 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.150 -10.671 -5.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.185 -10.723 -6.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.127 -12.045 -6.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.578 -12.205 -5.821 1.00 0.00 H new ATOM 402 N PRO A 35 2.962 -11.811 -0.514 1.00 0.00 N ATOM 403 CA PRO A 35 3.682 -10.705 0.127 1.00 0.00 C ATOM 404 C PRO A 35 3.735 -9.462 -0.752 1.00 0.00 C ATOM 405 O PRO A 35 4.130 -9.528 -1.914 1.00 0.00 O ATOM 406 CB PRO A 35 5.087 -11.273 0.335 1.00 0.00 C ATOM 407 CG PRO A 35 5.240 -12.300 -0.731 1.00 0.00 C ATOM 408 CD PRO A 35 3.873 -12.891 -0.938 1.00 0.00 C ATOM 0 HA PRO A 35 3.197 -10.381 1.048 1.00 0.00 H new ATOM 0 HB2 PRO A 35 5.846 -10.495 0.248 1.00 0.00 H new ATOM 0 HB3 PRO A 35 5.194 -11.712 1.327 1.00 0.00 H new ATOM 0 HG2 PRO A 35 5.615 -11.853 -1.652 1.00 0.00 H new ATOM 0 HG3 PRO A 35 5.955 -13.067 -0.434 1.00 0.00 H new ATOM 0 HD2 PRO A 35 3.709 -13.168 -1.979 1.00 0.00 H new ATOM 0 HD3 PRO A 35 3.731 -13.793 -0.342 1.00 0.00 H new ATOM 416 N GLY A 36 3.334 -8.328 -0.187 1.00 0.00 N ATOM 417 CA GLY A 36 3.344 -7.086 -0.934 1.00 0.00 C ATOM 418 C GLY A 36 2.906 -5.902 -0.097 1.00 0.00 C ATOM 419 O GLY A 36 2.384 -6.070 1.004 1.00 0.00 O ATOM 0 H GLY A 36 3.003 -8.248 0.774 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.348 -6.904 -1.317 1.00 0.00 H new ATOM 0 HA3 GLY A 36 2.685 -7.180 -1.798 1.00 0.00 H new ATOM 423 N ILE A 37 3.121 -4.699 -0.620 1.00 0.00 N ATOM 424 CA ILE A 37 2.746 -3.481 0.086 1.00 0.00 C ATOM 425 C ILE A 37 1.459 -2.891 -0.485 1.00 0.00 C ATOM 426 O ILE A 37 1.461 -2.315 -1.571 1.00 0.00 O ATOM 427 CB ILE A 37 3.859 -2.418 -0.001 1.00 0.00 C ATOM 428 CG1 ILE A 37 5.226 -3.042 0.295 1.00 0.00 C ATOM 429 CG2 ILE A 37 3.571 -1.269 0.956 1.00 0.00 C ATOM 430 CD1 ILE A 37 5.429 -3.406 1.752 1.00 0.00 C ATOM 0 H ILE A 37 3.553 -4.543 -1.531 1.00 0.00 H new ATOM 0 HA ILE A 37 2.590 -3.755 1.130 1.00 0.00 H new ATOM 0 HB ILE A 37 3.880 -2.022 -1.016 1.00 0.00 H new ATOM 0 HG12 ILE A 37 5.346 -3.938 -0.314 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.007 -2.344 -0.008 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.366 -0.527 0.883 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.619 -0.808 0.695 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.522 -1.649 1.976 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.419 -3.842 1.884 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.343 -2.510 2.366 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.671 -4.128 2.056 1.00 0.00 H new ATOM 442 N PHE A 38 0.363 -3.032 0.256 1.00 0.00 N ATOM 443 CA PHE A 38 -0.922 -2.499 -0.186 1.00 0.00 C ATOM 444 C PHE A 38 -1.227 -1.182 0.510 1.00 0.00 C ATOM 445 O PHE A 38 -0.406 -0.662 1.266 1.00 0.00 O ATOM 446 CB PHE A 38 -2.061 -3.499 0.050 1.00 0.00 C ATOM 447 CG PHE A 38 -1.845 -4.427 1.210 1.00 0.00 C ATOM 448 CD1 PHE A 38 -2.233 -4.064 2.489 1.00 0.00 C ATOM 449 CD2 PHE A 38 -1.263 -5.670 1.016 1.00 0.00 C ATOM 450 CE1 PHE A 38 -2.042 -4.921 3.555 1.00 0.00 C ATOM 451 CE2 PHE A 38 -1.073 -6.532 2.078 1.00 0.00 C ATOM 452 CZ PHE A 38 -1.462 -6.157 3.350 1.00 0.00 C ATOM 0 H PHE A 38 0.338 -3.507 1.158 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.848 -2.322 -1.259 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.986 -2.945 0.211 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.199 -4.093 -0.853 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.690 -3.100 2.655 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.955 -5.967 0.024 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -2.346 -4.625 4.548 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.621 -7.499 1.915 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.313 -6.829 4.182 1.00 0.00 H new ATOM 462 N ILE A 39 -2.407 -0.637 0.237 1.00 0.00 N ATOM 463 CA ILE A 39 -2.810 0.631 0.821 1.00 0.00 C ATOM 464 C ILE A 39 -3.884 0.450 1.890 1.00 0.00 C ATOM 465 O ILE A 39 -4.766 -0.401 1.771 1.00 0.00 O ATOM 466 CB ILE A 39 -3.334 1.595 -0.263 1.00 0.00 C ATOM 467 CG1 ILE A 39 -2.238 1.879 -1.295 1.00 0.00 C ATOM 468 CG2 ILE A 39 -3.829 2.891 0.361 1.00 0.00 C ATOM 469 CD1 ILE A 39 -1.125 2.762 -0.771 1.00 0.00 C ATOM 0 H ILE A 39 -3.099 -1.055 -0.385 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.922 1.055 1.290 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.175 1.120 -0.769 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.813 0.933 -1.630 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.687 2.354 -2.168 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.194 3.556 -0.422 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.638 2.673 1.058 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.010 3.374 0.894 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.386 2.920 -1.556 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.537 3.723 -0.462 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.650 2.280 0.083 1.00 0.00 H new ATOM 481 N SER A 40 -3.798 1.276 2.925 1.00 0.00 N ATOM 482 CA SER A 40 -4.748 1.253 4.026 1.00 0.00 C ATOM 483 C SER A 40 -5.680 2.453 3.931 1.00 0.00 C ATOM 484 O SER A 40 -5.703 3.150 2.917 1.00 0.00 O ATOM 485 CB SER A 40 -4.010 1.259 5.367 1.00 0.00 C ATOM 486 OG SER A 40 -4.160 0.021 6.039 1.00 0.00 O ATOM 0 H SER A 40 -3.067 1.980 3.023 1.00 0.00 H new ATOM 0 HA SER A 40 -5.339 0.340 3.962 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.952 1.460 5.202 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.394 2.065 5.993 1.00 0.00 H new ATOM 0 HG SER A 40 -4.287 0.182 6.997 1.00 0.00 H new ATOM 492 N HIS A 41 -6.452 2.692 4.989 1.00 0.00 N ATOM 493 CA HIS A 41 -7.389 3.813 5.022 1.00 0.00 C ATOM 494 C HIS A 41 -6.762 5.075 4.427 1.00 0.00 C ATOM 495 O HIS A 41 -5.547 5.272 4.505 1.00 0.00 O ATOM 496 CB HIS A 41 -7.841 4.084 6.458 1.00 0.00 C ATOM 497 CG HIS A 41 -9.042 4.972 6.550 1.00 0.00 C ATOM 498 ND1 HIS A 41 -9.983 5.076 5.546 1.00 0.00 N ATOM 499 CD2 HIS A 41 -9.457 5.802 7.538 1.00 0.00 C ATOM 500 CE1 HIS A 41 -10.921 5.932 5.911 1.00 0.00 C ATOM 501 NE2 HIS A 41 -10.626 6.385 7.115 1.00 0.00 N ATOM 0 H HIS A 41 -6.447 2.124 5.836 1.00 0.00 H new ATOM 0 HA HIS A 41 -8.255 3.543 4.418 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -8.063 3.135 6.945 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -7.019 4.541 7.009 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -8.961 5.973 8.482 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -11.783 6.213 5.324 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -11.177 7.059 7.646 1.00 0.00 H new ATOM 510 N VAL A 42 -7.596 5.918 3.829 1.00 0.00 N ATOM 511 CA VAL A 42 -7.126 7.152 3.212 1.00 0.00 C ATOM 512 C VAL A 42 -7.980 8.342 3.636 1.00 0.00 C ATOM 513 O VAL A 42 -9.146 8.185 3.998 1.00 0.00 O ATOM 514 CB VAL A 42 -7.139 7.048 1.674 1.00 0.00 C ATOM 515 CG1 VAL A 42 -6.439 8.245 1.049 1.00 0.00 C ATOM 516 CG2 VAL A 42 -6.493 5.748 1.221 1.00 0.00 C ATOM 0 H VAL A 42 -8.603 5.769 3.758 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.102 7.306 3.553 1.00 0.00 H new ATOM 0 HB VAL A 42 -8.176 7.048 1.339 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.459 8.152 -0.037 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.951 9.161 1.344 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.405 8.281 1.391 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.511 5.692 0.133 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.460 5.714 1.569 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -7.043 4.904 1.637 1.00 0.00 H new ATOM 526 N LYS A 43 -7.391 9.533 3.586 1.00 0.00 N ATOM 527 CA LYS A 43 -8.098 10.752 3.963 1.00 0.00 C ATOM 528 C LYS A 43 -8.220 11.699 2.768 1.00 0.00 C ATOM 529 O LYS A 43 -7.315 11.780 1.937 1.00 0.00 O ATOM 530 CB LYS A 43 -7.372 11.455 5.112 1.00 0.00 C ATOM 531 CG LYS A 43 -6.919 10.509 6.213 1.00 0.00 C ATOM 532 CD LYS A 43 -5.438 10.178 6.091 1.00 0.00 C ATOM 533 CE LYS A 43 -4.622 10.861 7.179 1.00 0.00 C ATOM 534 NZ LYS A 43 -4.342 9.946 8.319 1.00 0.00 N ATOM 0 H LYS A 43 -6.427 9.680 3.288 1.00 0.00 H new ATOM 0 HA LYS A 43 -9.100 10.475 4.292 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.503 11.980 4.715 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -8.032 12.209 5.541 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.113 10.962 7.185 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.503 9.590 6.167 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.299 9.099 6.154 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.074 10.490 5.112 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.681 11.216 6.759 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.160 11.737 7.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.784 10.449 9.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.239 9.627 8.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.806 9.122 7.979 1.00 0.00 H new ATOM 548 N PRO A 44 -9.345 12.428 2.665 1.00 0.00 N ATOM 549 CA PRO A 44 -9.577 13.367 1.564 1.00 0.00 C ATOM 550 C PRO A 44 -8.718 14.622 1.679 1.00 0.00 C ATOM 551 O PRO A 44 -8.246 14.966 2.762 1.00 0.00 O ATOM 552 CB PRO A 44 -11.058 13.719 1.708 1.00 0.00 C ATOM 553 CG PRO A 44 -11.352 13.529 3.156 1.00 0.00 C ATOM 554 CD PRO A 44 -10.477 12.392 3.611 1.00 0.00 C ATOM 0 HA PRO A 44 -9.318 12.934 0.598 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -11.254 14.745 1.395 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.681 13.073 1.089 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.137 14.437 3.720 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.406 13.298 3.313 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -10.145 12.528 4.640 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.004 11.439 3.570 1.00 0.00 H new ATOM 562 N GLY A 45 -8.519 15.302 0.554 1.00 0.00 N ATOM 563 CA GLY A 45 -7.717 16.512 0.550 1.00 0.00 C ATOM 564 C GLY A 45 -6.243 16.232 0.773 1.00 0.00 C ATOM 565 O GLY A 45 -5.571 16.959 1.504 1.00 0.00 O ATOM 0 H GLY A 45 -8.899 15.037 -0.355 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -7.846 17.026 -0.402 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -8.077 17.186 1.327 1.00 0.00 H new ATOM 569 N SER A 46 -5.741 15.178 0.139 1.00 0.00 N ATOM 570 CA SER A 46 -4.338 14.804 0.271 1.00 0.00 C ATOM 571 C SER A 46 -3.789 14.282 -1.053 1.00 0.00 C ATOM 572 O SER A 46 -4.499 14.243 -2.058 1.00 0.00 O ATOM 573 CB SER A 46 -4.171 13.741 1.359 1.00 0.00 C ATOM 574 OG SER A 46 -4.542 14.249 2.629 1.00 0.00 O ATOM 0 H SER A 46 -6.285 14.568 -0.471 1.00 0.00 H new ATOM 0 HA SER A 46 -3.775 15.694 0.553 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.782 12.871 1.119 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.135 13.404 1.387 1.00 0.00 H new ATOM 0 HG SER A 46 -4.428 13.550 3.307 1.00 0.00 H new ATOM 580 N LEU A 47 -2.522 13.880 -1.046 1.00 0.00 N ATOM 581 CA LEU A 47 -1.881 13.358 -2.247 1.00 0.00 C ATOM 582 C LEU A 47 -2.538 12.054 -2.684 1.00 0.00 C ATOM 583 O LEU A 47 -2.918 11.895 -3.844 1.00 0.00 O ATOM 584 CB LEU A 47 -0.387 13.130 -2.000 1.00 0.00 C ATOM 585 CG LEU A 47 0.448 14.398 -1.809 1.00 0.00 C ATOM 586 CD1 LEU A 47 0.141 15.414 -2.899 1.00 0.00 C ATOM 587 CD2 LEU A 47 0.199 14.998 -0.432 1.00 0.00 C ATOM 0 H LEU A 47 -1.920 13.906 -0.223 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.000 14.094 -3.042 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.274 12.504 -1.115 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.022 12.570 -2.841 1.00 0.00 H new ATOM 0 HG LEU A 47 1.502 14.128 -1.882 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.745 16.308 -2.744 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.373 14.984 -3.873 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.915 15.680 -2.862 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.801 15.899 -0.313 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.856 15.251 -0.331 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.474 14.274 0.335 1.00 0.00 H new ATOM 599 N SER A 48 -2.670 11.125 -1.743 1.00 0.00 N ATOM 600 CA SER A 48 -3.283 9.832 -2.023 1.00 0.00 C ATOM 601 C SER A 48 -4.713 10.002 -2.527 1.00 0.00 C ATOM 602 O SER A 48 -5.163 9.270 -3.408 1.00 0.00 O ATOM 603 CB SER A 48 -3.276 8.963 -0.766 1.00 0.00 C ATOM 604 OG SER A 48 -3.989 9.586 0.288 1.00 0.00 O ATOM 0 H SER A 48 -2.360 11.244 -0.779 1.00 0.00 H new ATOM 0 HA SER A 48 -2.699 9.343 -2.803 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.722 7.993 -0.988 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.248 8.777 -0.454 1.00 0.00 H new ATOM 0 HG SER A 48 -4.045 10.550 0.120 1.00 0.00 H new ATOM 610 N ALA A 49 -5.422 10.975 -1.962 1.00 0.00 N ATOM 611 CA ALA A 49 -6.800 11.240 -2.354 1.00 0.00 C ATOM 612 C ALA A 49 -6.865 11.881 -3.736 1.00 0.00 C ATOM 613 O ALA A 49 -7.724 11.541 -4.549 1.00 0.00 O ATOM 614 CB ALA A 49 -7.478 12.131 -1.324 1.00 0.00 C ATOM 0 H ALA A 49 -5.064 11.592 -1.232 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.329 10.288 -2.400 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.507 12.321 -1.629 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.473 11.634 -0.354 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.940 13.076 -1.251 1.00 0.00 H new ATOM 620 N GLU A 50 -5.952 12.811 -3.996 1.00 0.00 N ATOM 621 CA GLU A 50 -5.906 13.499 -5.280 1.00 0.00 C ATOM 622 C GLU A 50 -5.609 12.520 -6.411 1.00 0.00 C ATOM 623 O GLU A 50 -6.272 12.535 -7.449 1.00 0.00 O ATOM 624 CB GLU A 50 -4.848 14.604 -5.253 1.00 0.00 C ATOM 625 CG GLU A 50 -5.395 15.961 -4.837 1.00 0.00 C ATOM 626 CD GLU A 50 -6.472 16.467 -5.777 1.00 0.00 C ATOM 627 OE1 GLU A 50 -6.234 16.476 -7.003 1.00 0.00 O ATOM 628 OE2 GLU A 50 -7.554 16.854 -5.285 1.00 0.00 O ATOM 0 H GLU A 50 -5.234 13.105 -3.334 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.883 13.947 -5.460 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.052 14.316 -4.566 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.399 14.690 -6.243 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.802 15.891 -3.828 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.579 16.683 -4.803 1.00 0.00 H new ATOM 635 N VAL A 51 -4.608 11.671 -6.204 1.00 0.00 N ATOM 636 CA VAL A 51 -4.223 10.686 -7.206 1.00 0.00 C ATOM 637 C VAL A 51 -5.305 9.624 -7.380 1.00 0.00 C ATOM 638 O VAL A 51 -5.454 9.045 -8.457 1.00 0.00 O ATOM 639 CB VAL A 51 -2.896 9.997 -6.835 1.00 0.00 C ATOM 640 CG1 VAL A 51 -1.765 11.012 -6.786 1.00 0.00 C ATOM 641 CG2 VAL A 51 -3.023 9.265 -5.508 1.00 0.00 C ATOM 0 H VAL A 51 -4.049 11.646 -5.351 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.094 11.224 -8.145 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.663 9.262 -7.605 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.835 10.508 -6.522 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.658 11.485 -7.762 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.990 11.772 -6.038 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.075 8.785 -5.265 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.282 9.976 -4.724 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.804 8.508 -5.583 1.00 0.00 H new ATOM 651 N GLY A 52 -6.057 9.372 -6.314 1.00 0.00 N ATOM 652 CA GLY A 52 -7.115 8.379 -6.369 1.00 0.00 C ATOM 653 C GLY A 52 -6.718 7.074 -5.710 1.00 0.00 C ATOM 654 O GLY A 52 -6.785 6.012 -6.330 1.00 0.00 O ATOM 0 H GLY A 52 -5.953 9.838 -5.412 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.006 8.774 -5.880 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.380 8.191 -7.410 1.00 0.00 H new ATOM 658 N LEU A 53 -6.301 7.151 -4.450 1.00 0.00 N ATOM 659 CA LEU A 53 -5.890 5.967 -3.706 1.00 0.00 C ATOM 660 C LEU A 53 -6.983 5.520 -2.742 1.00 0.00 C ATOM 661 O LEU A 53 -7.937 6.255 -2.485 1.00 0.00 O ATOM 662 CB LEU A 53 -4.600 6.248 -2.934 1.00 0.00 C ATOM 663 CG LEU A 53 -3.310 6.082 -3.740 1.00 0.00 C ATOM 664 CD1 LEU A 53 -2.126 6.654 -2.976 1.00 0.00 C ATOM 665 CD2 LEU A 53 -3.079 4.615 -4.074 1.00 0.00 C ATOM 0 H LEU A 53 -6.239 8.022 -3.923 1.00 0.00 H new ATOM 0 HA LEU A 53 -5.712 5.164 -4.422 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.640 7.267 -2.549 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.559 5.583 -2.072 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.411 6.635 -4.674 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.217 6.527 -3.565 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.292 7.715 -2.789 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.019 6.131 -2.026 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.158 4.513 -4.647 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.998 4.040 -3.151 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.916 4.240 -4.663 1.00 0.00 H new ATOM 677 N GLU A 54 -6.836 4.311 -2.211 1.00 0.00 N ATOM 678 CA GLU A 54 -7.807 3.759 -1.271 1.00 0.00 C ATOM 679 C GLU A 54 -7.400 2.354 -0.839 1.00 0.00 C ATOM 680 O GLU A 54 -6.543 1.728 -1.461 1.00 0.00 O ATOM 681 CB GLU A 54 -9.203 3.733 -1.902 1.00 0.00 C ATOM 682 CG GLU A 54 -10.179 4.702 -1.259 1.00 0.00 C ATOM 683 CD GLU A 54 -10.491 4.347 0.182 1.00 0.00 C ATOM 684 OE1 GLU A 54 -9.566 4.399 1.020 1.00 0.00 O ATOM 685 OE2 GLU A 54 -11.659 4.015 0.473 1.00 0.00 O ATOM 0 H GLU A 54 -6.051 3.692 -2.416 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.831 4.399 -0.389 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -9.117 3.967 -2.963 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.606 2.723 -1.830 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.765 5.709 -1.299 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -11.105 4.715 -1.835 1.00 0.00 H new ATOM 692 N ILE A 55 -8.020 1.863 0.230 1.00 0.00 N ATOM 693 CA ILE A 55 -7.718 0.531 0.739 1.00 0.00 C ATOM 694 C ILE A 55 -7.960 -0.528 -0.332 1.00 0.00 C ATOM 695 O ILE A 55 -8.996 -0.529 -0.996 1.00 0.00 O ATOM 696 CB ILE A 55 -8.568 0.195 1.981 1.00 0.00 C ATOM 697 CG1 ILE A 55 -8.452 1.306 3.026 1.00 0.00 C ATOM 698 CG2 ILE A 55 -8.141 -1.141 2.573 1.00 0.00 C ATOM 699 CD1 ILE A 55 -9.771 1.668 3.672 1.00 0.00 C ATOM 0 H ILE A 55 -8.732 2.366 0.759 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.665 0.529 1.021 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.611 0.118 1.675 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.751 0.994 3.800 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.031 2.194 2.555 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -8.751 -1.363 3.449 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -8.274 -1.927 1.830 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.092 -1.091 2.865 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -9.613 2.462 4.402 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -10.468 2.011 2.908 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -10.184 0.792 4.172 1.00 0.00 H new ATOM 711 N GLY A 56 -6.995 -1.427 -0.493 1.00 0.00 N ATOM 712 CA GLY A 56 -7.118 -2.478 -1.487 1.00 0.00 C ATOM 713 C GLY A 56 -6.056 -2.380 -2.562 1.00 0.00 C ATOM 714 O GLY A 56 -5.635 -3.394 -3.123 1.00 0.00 O ATOM 0 H GLY A 56 -6.130 -1.447 0.047 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -7.047 -3.449 -0.997 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.104 -2.425 -1.948 1.00 0.00 H new ATOM 718 N ASP A 57 -5.616 -1.160 -2.848 1.00 0.00 N ATOM 719 CA ASP A 57 -4.592 -0.936 -3.861 1.00 0.00 C ATOM 720 C ASP A 57 -3.304 -1.668 -3.498 1.00 0.00 C ATOM 721 O ASP A 57 -3.176 -2.205 -2.397 1.00 0.00 O ATOM 722 CB ASP A 57 -4.320 0.562 -4.013 1.00 0.00 C ATOM 723 CG ASP A 57 -5.523 1.319 -4.536 1.00 0.00 C ATOM 724 OD1 ASP A 57 -6.662 0.924 -4.209 1.00 0.00 O ATOM 725 OD2 ASP A 57 -5.328 2.308 -5.274 1.00 0.00 O ATOM 0 H ASP A 57 -5.952 -0.311 -2.393 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.956 -1.329 -4.810 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.026 0.975 -3.048 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.479 0.709 -4.691 1.00 0.00 H new ATOM 730 N GLN A 58 -2.354 -1.691 -4.426 1.00 0.00 N ATOM 731 CA GLN A 58 -1.081 -2.365 -4.195 1.00 0.00 C ATOM 732 C GLN A 58 0.040 -1.730 -5.011 1.00 0.00 C ATOM 733 O GLN A 58 0.078 -1.855 -6.236 1.00 0.00 O ATOM 734 CB GLN A 58 -1.197 -3.850 -4.540 1.00 0.00 C ATOM 735 CG GLN A 58 -0.517 -4.764 -3.536 1.00 0.00 C ATOM 736 CD GLN A 58 0.926 -5.050 -3.895 1.00 0.00 C ATOM 737 OE1 GLN A 58 1.735 -5.364 -2.890 1.00 0.00 O flip ATOM 738 NE2 GLN A 58 1.312 -4.992 -5.063 1.00 0.00 N flip ATOM 0 H GLN A 58 -2.440 -1.252 -5.343 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.836 -2.258 -3.138 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.252 -4.118 -4.606 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.763 -4.020 -5.525 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.558 -4.307 -2.547 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.066 -5.704 -3.475 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.657 -4.747 -5.805 1.00 0.00 H new ATOM 0 HE22 GLN A 58 2.287 -5.189 -5.288 1.00 0.00 H new ATOM 747 N ILE A 59 0.959 -1.058 -4.325 1.00 0.00 N ATOM 748 CA ILE A 59 2.085 -0.413 -4.990 1.00 0.00 C ATOM 749 C ILE A 59 3.047 -1.457 -5.544 1.00 0.00 C ATOM 750 O ILE A 59 3.627 -2.240 -4.792 1.00 0.00 O ATOM 751 CB ILE A 59 2.848 0.519 -4.027 1.00 0.00 C ATOM 752 CG1 ILE A 59 1.880 1.477 -3.329 1.00 0.00 C ATOM 753 CG2 ILE A 59 3.921 1.296 -4.777 1.00 0.00 C ATOM 754 CD1 ILE A 59 2.259 1.784 -1.898 1.00 0.00 C ATOM 0 H ILE A 59 0.946 -0.946 -3.311 1.00 0.00 H new ATOM 0 HA ILE A 59 1.681 0.184 -5.808 1.00 0.00 H new ATOM 0 HB ILE A 59 3.334 -0.093 -3.267 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.835 2.409 -3.892 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.879 1.046 -3.346 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.450 1.949 -4.083 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.627 0.599 -5.228 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.456 1.898 -5.558 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.529 2.469 -1.467 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.276 0.860 -1.320 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.246 2.245 -1.874 1.00 0.00 H new ATOM 766 N VAL A 60 3.205 -1.472 -6.863 1.00 0.00 N ATOM 767 CA VAL A 60 4.089 -2.431 -7.515 1.00 0.00 C ATOM 768 C VAL A 60 5.426 -1.803 -7.906 1.00 0.00 C ATOM 769 O VAL A 60 6.261 -2.454 -8.532 1.00 0.00 O ATOM 770 CB VAL A 60 3.429 -3.029 -8.772 1.00 0.00 C ATOM 771 CG1 VAL A 60 2.169 -3.797 -8.403 1.00 0.00 C ATOM 772 CG2 VAL A 60 3.117 -1.936 -9.784 1.00 0.00 C ATOM 0 H VAL A 60 2.733 -0.832 -7.501 1.00 0.00 H new ATOM 0 HA VAL A 60 4.275 -3.222 -6.789 1.00 0.00 H new ATOM 0 HB VAL A 60 4.131 -3.727 -9.229 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.718 -4.211 -9.305 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.424 -4.607 -7.720 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.461 -3.124 -7.920 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.651 -2.378 -10.665 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.436 -1.211 -9.338 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.040 -1.435 -10.075 1.00 0.00 H new ATOM 782 N GLU A 61 5.629 -0.541 -7.535 1.00 0.00 N ATOM 783 CA GLU A 61 6.873 0.151 -7.857 1.00 0.00 C ATOM 784 C GLU A 61 6.920 1.531 -7.208 1.00 0.00 C ATOM 785 O GLU A 61 5.889 2.179 -7.028 1.00 0.00 O ATOM 786 CB GLU A 61 7.031 0.283 -9.372 1.00 0.00 C ATOM 787 CG GLU A 61 8.478 0.245 -9.838 1.00 0.00 C ATOM 788 CD GLU A 61 8.890 -1.122 -10.350 1.00 0.00 C ATOM 789 OE1 GLU A 61 8.336 -2.130 -9.862 1.00 0.00 O ATOM 790 OE2 GLU A 61 9.767 -1.185 -11.237 1.00 0.00 O ATOM 0 H GLU A 61 4.953 0.019 -7.015 1.00 0.00 H new ATOM 0 HA GLU A 61 7.697 -0.442 -7.461 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.480 -0.522 -9.858 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.578 1.220 -9.696 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.621 0.983 -10.627 1.00 0.00 H new ATOM 0 HG3 GLU A 61 9.129 0.531 -9.012 1.00 0.00 H new ATOM 797 N VAL A 62 8.124 1.973 -6.861 1.00 0.00 N ATOM 798 CA VAL A 62 8.313 3.275 -6.233 1.00 0.00 C ATOM 799 C VAL A 62 9.692 3.842 -6.552 1.00 0.00 C ATOM 800 O VAL A 62 10.697 3.404 -5.993 1.00 0.00 O ATOM 801 CB VAL A 62 8.144 3.192 -4.702 1.00 0.00 C ATOM 802 CG1 VAL A 62 8.234 4.577 -4.075 1.00 0.00 C ATOM 803 CG2 VAL A 62 6.826 2.520 -4.347 1.00 0.00 C ATOM 0 H VAL A 62 8.986 1.447 -7.005 1.00 0.00 H new ATOM 0 HA VAL A 62 7.548 3.937 -6.639 1.00 0.00 H new ATOM 0 HB VAL A 62 8.955 2.586 -4.298 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.112 4.496 -2.995 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.207 5.015 -4.299 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.448 5.213 -4.482 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.723 2.470 -3.263 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.000 3.096 -4.763 1.00 0.00 H new ATOM 0 HG23 VAL A 62 6.809 1.511 -4.760 1.00 0.00 H new ATOM 813 N ASN A 63 9.732 4.817 -7.453 1.00 0.00 N ATOM 814 CA ASN A 63 10.989 5.443 -7.846 1.00 0.00 C ATOM 815 C ASN A 63 11.943 4.416 -8.449 1.00 0.00 C ATOM 816 O ASN A 63 13.161 4.541 -8.330 1.00 0.00 O ATOM 817 CB ASN A 63 11.646 6.119 -6.641 1.00 0.00 C ATOM 818 CG ASN A 63 12.368 7.398 -7.019 1.00 0.00 C ATOM 819 OD1 ASN A 63 13.597 7.461 -6.990 1.00 0.00 O ATOM 820 ND2 ASN A 63 11.606 8.426 -7.373 1.00 0.00 N ATOM 0 H ASN A 63 8.909 5.191 -7.925 1.00 0.00 H new ATOM 0 HA ASN A 63 10.769 6.197 -8.602 1.00 0.00 H new ATOM 0 HB2 ASN A 63 10.885 6.342 -5.893 1.00 0.00 H new ATOM 0 HB3 ASN A 63 12.353 5.428 -6.181 1.00 0.00 H new ATOM 0 HD21 ASN A 63 12.036 9.313 -7.635 1.00 0.00 H new ATOM 0 HD22 ASN A 63 10.591 8.329 -7.383 1.00 0.00 H new ATOM 827 N GLY A 64 11.379 3.400 -9.094 1.00 0.00 N ATOM 828 CA GLY A 64 12.195 2.367 -9.705 1.00 0.00 C ATOM 829 C GLY A 64 12.267 1.111 -8.860 1.00 0.00 C ATOM 830 O GLY A 64 12.426 0.009 -9.384 1.00 0.00 O ATOM 0 H GLY A 64 10.373 3.274 -9.204 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.788 2.119 -10.685 1.00 0.00 H new ATOM 0 HA3 GLY A 64 13.202 2.751 -9.866 1.00 0.00 H new ATOM 834 N VAL A 65 12.148 1.278 -7.546 1.00 0.00 N ATOM 835 CA VAL A 65 12.200 0.147 -6.626 1.00 0.00 C ATOM 836 C VAL A 65 11.041 -0.813 -6.870 1.00 0.00 C ATOM 837 O VAL A 65 9.890 -0.393 -6.997 1.00 0.00 O ATOM 838 CB VAL A 65 12.164 0.615 -5.158 1.00 0.00 C ATOM 839 CG1 VAL A 65 12.418 -0.552 -4.219 1.00 0.00 C ATOM 840 CG2 VAL A 65 13.178 1.726 -4.926 1.00 0.00 C ATOM 0 H VAL A 65 12.015 2.183 -7.096 1.00 0.00 H new ATOM 0 HA VAL A 65 13.142 -0.369 -6.812 1.00 0.00 H new ATOM 0 HB VAL A 65 11.171 1.011 -4.947 1.00 0.00 H new ATOM 0 HG11 VAL A 65 12.389 -0.202 -3.187 1.00 0.00 H new ATOM 0 HG12 VAL A 65 11.650 -1.311 -4.366 1.00 0.00 H new ATOM 0 HG13 VAL A 65 13.398 -0.981 -4.429 1.00 0.00 H new ATOM 0 HG21 VAL A 65 13.138 2.043 -3.884 1.00 0.00 H new ATOM 0 HG22 VAL A 65 14.178 1.359 -5.155 1.00 0.00 H new ATOM 0 HG23 VAL A 65 12.945 2.572 -5.572 1.00 0.00 H new ATOM 850 N ASP A 66 11.351 -2.103 -6.935 1.00 0.00 N ATOM 851 CA ASP A 66 10.335 -3.122 -7.165 1.00 0.00 C ATOM 852 C ASP A 66 9.621 -3.483 -5.865 1.00 0.00 C ATOM 853 O ASP A 66 10.236 -3.994 -4.930 1.00 0.00 O ATOM 854 CB ASP A 66 10.970 -4.375 -7.777 1.00 0.00 C ATOM 855 CG ASP A 66 10.208 -4.875 -8.989 1.00 0.00 C ATOM 856 OD1 ASP A 66 8.959 -4.884 -8.944 1.00 0.00 O ATOM 857 OD2 ASP A 66 10.861 -5.257 -9.983 1.00 0.00 O ATOM 0 H ASP A 66 12.298 -2.467 -6.832 1.00 0.00 H new ATOM 0 HA ASP A 66 9.600 -2.717 -7.861 1.00 0.00 H new ATOM 0 HB2 ASP A 66 11.999 -4.155 -8.063 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.010 -5.163 -7.025 1.00 0.00 H new ATOM 862 N PHE A 67 8.321 -3.213 -5.814 1.00 0.00 N ATOM 863 CA PHE A 67 7.526 -3.510 -4.627 1.00 0.00 C ATOM 864 C PHE A 67 6.892 -4.897 -4.718 1.00 0.00 C ATOM 865 O PHE A 67 5.996 -5.228 -3.941 1.00 0.00 O ATOM 866 CB PHE A 67 6.439 -2.450 -4.438 1.00 0.00 C ATOM 867 CG PHE A 67 6.868 -1.297 -3.575 1.00 0.00 C ATOM 868 CD1 PHE A 67 8.130 -0.742 -3.712 1.00 0.00 C ATOM 869 CD2 PHE A 67 6.007 -0.768 -2.626 1.00 0.00 C ATOM 870 CE1 PHE A 67 8.527 0.316 -2.919 1.00 0.00 C ATOM 871 CE2 PHE A 67 6.398 0.293 -1.831 1.00 0.00 C ATOM 872 CZ PHE A 67 7.660 0.835 -1.977 1.00 0.00 C ATOM 0 H PHE A 67 7.796 -2.790 -6.579 1.00 0.00 H new ATOM 0 HA PHE A 67 8.193 -3.497 -3.765 1.00 0.00 H new ATOM 0 HB2 PHE A 67 6.139 -2.070 -5.415 1.00 0.00 H new ATOM 0 HB3 PHE A 67 5.560 -2.918 -3.995 1.00 0.00 H new ATOM 0 HD1 PHE A 67 8.812 -1.142 -4.448 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.020 -1.190 -2.507 1.00 0.00 H new ATOM 0 HE1 PHE A 67 9.515 0.738 -3.035 1.00 0.00 H new ATOM 0 HE2 PHE A 67 5.717 0.698 -1.097 1.00 0.00 H new ATOM 0 HZ PHE A 67 7.968 1.663 -1.356 1.00 0.00 H new ATOM 882 N SER A 68 7.359 -5.707 -5.664 1.00 0.00 N ATOM 883 CA SER A 68 6.832 -7.054 -5.841 1.00 0.00 C ATOM 884 C SER A 68 7.188 -7.930 -4.644 1.00 0.00 C ATOM 885 O SER A 68 6.419 -8.808 -4.252 1.00 0.00 O ATOM 886 CB SER A 68 7.384 -7.679 -7.125 1.00 0.00 C ATOM 887 OG SER A 68 6.400 -8.465 -7.773 1.00 0.00 O ATOM 0 H SER A 68 8.100 -5.454 -6.318 1.00 0.00 H new ATOM 0 HA SER A 68 5.747 -6.988 -5.918 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.727 -6.893 -7.798 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.250 -8.297 -6.889 1.00 0.00 H new ATOM 0 HG SER A 68 6.777 -8.852 -8.591 1.00 0.00 H new ATOM 893 N ASN A 69 8.358 -7.679 -4.066 1.00 0.00 N ATOM 894 CA ASN A 69 8.820 -8.438 -2.909 1.00 0.00 C ATOM 895 C ASN A 69 9.518 -7.523 -1.910 1.00 0.00 C ATOM 896 O ASN A 69 10.453 -7.935 -1.222 1.00 0.00 O ATOM 897 CB ASN A 69 9.771 -9.552 -3.351 1.00 0.00 C ATOM 898 CG ASN A 69 9.088 -10.578 -4.235 1.00 0.00 C ATOM 899 OD1 ASN A 69 8.338 -11.428 -3.754 1.00 0.00 O ATOM 900 ND2 ASN A 69 9.347 -10.503 -5.536 1.00 0.00 N ATOM 0 H ASN A 69 9.004 -6.955 -4.380 1.00 0.00 H new ATOM 0 HA ASN A 69 7.952 -8.885 -2.424 1.00 0.00 H new ATOM 0 HB2 ASN A 69 10.613 -9.115 -3.889 1.00 0.00 H new ATOM 0 HB3 ASN A 69 10.179 -10.049 -2.471 1.00 0.00 H new ATOM 0 HD21 ASN A 69 8.918 -11.167 -6.181 1.00 0.00 H new ATOM 0 HD22 ASN A 69 9.975 -9.782 -5.890 1.00 0.00 H new ATOM 907 N LEU A 70 9.058 -6.279 -1.834 1.00 0.00 N ATOM 908 CA LEU A 70 9.636 -5.302 -0.919 1.00 0.00 C ATOM 909 C LEU A 70 9.076 -5.475 0.488 1.00 0.00 C ATOM 910 O LEU A 70 7.917 -5.850 0.664 1.00 0.00 O ATOM 911 CB LEU A 70 9.362 -3.881 -1.418 1.00 0.00 C ATOM 912 CG LEU A 70 9.997 -2.768 -0.582 1.00 0.00 C ATOM 913 CD1 LEU A 70 11.148 -2.117 -1.334 1.00 0.00 C ATOM 914 CD2 LEU A 70 8.956 -1.727 -0.196 1.00 0.00 C ATOM 0 H LEU A 70 8.285 -5.923 -2.396 1.00 0.00 H new ATOM 0 HA LEU A 70 10.713 -5.467 -0.884 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.723 -3.796 -2.443 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.284 -3.724 -1.446 1.00 0.00 H new ATOM 0 HG LEU A 70 10.394 -3.214 0.330 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.584 -1.329 -0.720 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.908 -2.866 -1.556 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.778 -1.689 -2.266 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.427 -0.944 0.398 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.527 -1.290 -1.098 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.167 -2.201 0.388 1.00 0.00 H new ATOM 926 N ASP A 71 9.907 -5.200 1.487 1.00 0.00 N ATOM 927 CA ASP A 71 9.496 -5.325 2.881 1.00 0.00 C ATOM 928 C ASP A 71 8.615 -4.150 3.296 1.00 0.00 C ATOM 929 O ASP A 71 8.519 -3.151 2.583 1.00 0.00 O ATOM 930 CB ASP A 71 10.723 -5.408 3.790 1.00 0.00 C ATOM 931 CG ASP A 71 10.620 -6.540 4.795 1.00 0.00 C ATOM 932 OD1 ASP A 71 9.517 -6.750 5.343 1.00 0.00 O ATOM 933 OD2 ASP A 71 11.643 -7.216 5.034 1.00 0.00 O ATOM 0 H ASP A 71 10.870 -4.889 1.358 1.00 0.00 H new ATOM 0 HA ASP A 71 8.916 -6.242 2.983 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.616 -5.547 3.180 1.00 0.00 H new ATOM 0 HB3 ASP A 71 10.844 -4.464 4.321 1.00 0.00 H new ATOM 938 N HIS A 72 7.975 -4.277 4.454 1.00 0.00 N ATOM 939 CA HIS A 72 7.102 -3.226 4.965 1.00 0.00 C ATOM 940 C HIS A 72 7.898 -1.966 5.290 1.00 0.00 C ATOM 941 O HIS A 72 7.617 -0.889 4.763 1.00 0.00 O ATOM 942 CB HIS A 72 6.364 -3.713 6.214 1.00 0.00 C ATOM 943 CG HIS A 72 5.407 -2.707 6.773 1.00 0.00 C ATOM 944 ND1 HIS A 72 5.186 -2.546 8.125 1.00 0.00 N ATOM 945 CD2 HIS A 72 4.608 -1.804 6.155 1.00 0.00 C ATOM 946 CE1 HIS A 72 4.294 -1.591 8.314 1.00 0.00 C ATOM 947 NE2 HIS A 72 3.929 -1.123 7.134 1.00 0.00 N ATOM 0 H HIS A 72 8.044 -5.097 5.056 1.00 0.00 H new ATOM 0 HA HIS A 72 6.374 -2.983 4.191 1.00 0.00 H new ATOM 0 HB2 HIS A 72 5.819 -4.625 5.972 1.00 0.00 H new ATOM 0 HB3 HIS A 72 7.095 -3.972 6.980 1.00 0.00 H new ATOM 0 HD2 HIS A 72 4.522 -1.649 5.090 1.00 0.00 H new ATOM 0 HE1 HIS A 72 3.926 -1.251 9.270 1.00 0.00 H new ATOM 0 HE2 HIS A 72 3.252 -0.376 6.976 1.00 0.00 H new ATOM 956 N LYS A 73 8.892 -2.108 6.162 1.00 0.00 N ATOM 957 CA LYS A 73 9.729 -0.980 6.558 1.00 0.00 C ATOM 958 C LYS A 73 10.378 -0.327 5.341 1.00 0.00 C ATOM 959 O LYS A 73 10.493 0.897 5.267 1.00 0.00 O ATOM 960 CB LYS A 73 10.809 -1.440 7.539 1.00 0.00 C ATOM 961 CG LYS A 73 10.391 -1.338 8.997 1.00 0.00 C ATOM 962 CD LYS A 73 9.764 -2.632 9.488 1.00 0.00 C ATOM 963 CE LYS A 73 8.769 -2.379 10.611 1.00 0.00 C ATOM 964 NZ LYS A 73 8.511 -3.606 11.413 1.00 0.00 N ATOM 0 H LYS A 73 9.137 -2.992 6.607 1.00 0.00 H new ATOM 0 HA LYS A 73 9.092 -0.243 7.046 1.00 0.00 H new ATOM 0 HB2 LYS A 73 11.073 -2.474 7.317 1.00 0.00 H new ATOM 0 HB3 LYS A 73 11.707 -0.842 7.385 1.00 0.00 H new ATOM 0 HG2 LYS A 73 11.260 -1.098 9.610 1.00 0.00 H new ATOM 0 HG3 LYS A 73 9.681 -0.520 9.117 1.00 0.00 H new ATOM 0 HD2 LYS A 73 9.260 -3.131 8.660 1.00 0.00 H new ATOM 0 HD3 LYS A 73 10.546 -3.306 9.838 1.00 0.00 H new ATOM 0 HE2 LYS A 73 9.150 -1.593 11.263 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.831 -2.017 10.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.854 -3.383 12.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 8.092 -4.337 10.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 9.407 -3.957 11.809 1.00 0.00 H new ATOM 978 N GLU A 74 10.801 -1.151 4.388 1.00 0.00 N ATOM 979 CA GLU A 74 11.436 -0.652 3.173 1.00 0.00 C ATOM 980 C GLU A 74 10.491 0.261 2.400 1.00 0.00 C ATOM 981 O GLU A 74 10.912 1.270 1.835 1.00 0.00 O ATOM 982 CB GLU A 74 11.879 -1.821 2.290 1.00 0.00 C ATOM 983 CG GLU A 74 13.349 -2.178 2.446 1.00 0.00 C ATOM 984 CD GLU A 74 13.559 -3.626 2.847 1.00 0.00 C ATOM 985 OE1 GLU A 74 13.522 -4.501 1.957 1.00 0.00 O ATOM 986 OE2 GLU A 74 13.762 -3.884 4.053 1.00 0.00 O ATOM 0 H GLU A 74 10.716 -2.166 4.433 1.00 0.00 H new ATOM 0 HA GLU A 74 12.313 -0.072 3.461 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.274 -2.696 2.529 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.683 -1.573 1.247 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.867 -1.986 1.506 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.799 -1.528 3.196 1.00 0.00 H new ATOM 993 N ALA A 75 9.212 -0.100 2.380 1.00 0.00 N ATOM 994 CA ALA A 75 8.207 0.689 1.677 1.00 0.00 C ATOM 995 C ALA A 75 8.018 2.050 2.336 1.00 0.00 C ATOM 996 O ALA A 75 7.971 3.078 1.660 1.00 0.00 O ATOM 997 CB ALA A 75 6.886 -0.064 1.627 1.00 0.00 C ATOM 0 H ALA A 75 8.847 -0.933 2.842 1.00 0.00 H new ATOM 0 HA ALA A 75 8.557 0.854 0.658 1.00 0.00 H new ATOM 0 HB1 ALA A 75 6.145 0.536 1.100 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.026 -1.010 1.104 1.00 0.00 H new ATOM 0 HB3 ALA A 75 6.540 -0.259 2.642 1.00 0.00 H new ATOM 1003 N VAL A 76 7.911 2.050 3.660 1.00 0.00 N ATOM 1004 CA VAL A 76 7.726 3.286 4.408 1.00 0.00 C ATOM 1005 C VAL A 76 8.979 4.154 4.351 1.00 0.00 C ATOM 1006 O VAL A 76 8.897 5.366 4.153 1.00 0.00 O ATOM 1007 CB VAL A 76 7.381 3.003 5.883 1.00 0.00 C ATOM 1008 CG1 VAL A 76 7.011 4.290 6.602 1.00 0.00 C ATOM 1009 CG2 VAL A 76 6.254 1.987 5.980 1.00 0.00 C ATOM 0 H VAL A 76 7.949 1.209 4.236 1.00 0.00 H new ATOM 0 HA VAL A 76 6.896 3.817 3.942 1.00 0.00 H new ATOM 0 HB VAL A 76 8.262 2.584 6.370 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.771 4.070 7.642 1.00 0.00 H new ATOM 0 HG12 VAL A 76 7.851 4.983 6.563 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.145 4.742 6.117 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.023 1.799 7.028 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.369 2.377 5.478 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.561 1.056 5.503 1.00 0.00 H new ATOM 1019 N ASN A 77 10.137 3.527 4.527 1.00 0.00 N ATOM 1020 CA ASN A 77 11.410 4.242 4.501 1.00 0.00 C ATOM 1021 C ASN A 77 11.576 5.026 3.202 1.00 0.00 C ATOM 1022 O ASN A 77 11.774 6.241 3.222 1.00 0.00 O ATOM 1023 CB ASN A 77 12.572 3.261 4.670 1.00 0.00 C ATOM 1024 CG ASN A 77 13.656 3.801 5.581 1.00 0.00 C ATOM 1025 OD1 ASN A 77 13.729 5.005 5.833 1.00 0.00 O ATOM 1026 ND2 ASN A 77 14.507 2.912 6.081 1.00 0.00 N ATOM 0 H ASN A 77 10.221 2.524 4.690 1.00 0.00 H new ATOM 0 HA ASN A 77 11.414 4.950 5.330 1.00 0.00 H new ATOM 0 HB2 ASN A 77 12.195 2.322 5.075 1.00 0.00 H new ATOM 0 HB3 ASN A 77 13.000 3.037 3.693 1.00 0.00 H new ATOM 0 HD21 ASN A 77 15.258 3.217 6.700 1.00 0.00 H new ATOM 0 HD22 ASN A 77 14.409 1.924 5.846 1.00 0.00 H new ATOM 1033 N VAL A 78 11.501 4.326 2.074 1.00 0.00 N ATOM 1034 CA VAL A 78 11.649 4.960 0.771 1.00 0.00 C ATOM 1035 C VAL A 78 10.619 6.070 0.575 1.00 0.00 C ATOM 1036 O VAL A 78 10.950 7.164 0.117 1.00 0.00 O ATOM 1037 CB VAL A 78 11.515 3.936 -0.371 1.00 0.00 C ATOM 1038 CG1 VAL A 78 12.617 2.892 -0.280 1.00 0.00 C ATOM 1039 CG2 VAL A 78 10.145 3.277 -0.345 1.00 0.00 C ATOM 0 H VAL A 78 11.339 3.320 2.037 1.00 0.00 H new ATOM 0 HA VAL A 78 12.649 5.393 0.743 1.00 0.00 H new ATOM 0 HB VAL A 78 11.619 4.463 -1.319 1.00 0.00 H new ATOM 0 HG11 VAL A 78 12.508 2.176 -1.094 1.00 0.00 H new ATOM 0 HG12 VAL A 78 13.588 3.381 -0.354 1.00 0.00 H new ATOM 0 HG13 VAL A 78 12.546 2.370 0.674 1.00 0.00 H new ATOM 0 HG21 VAL A 78 10.072 2.557 -1.160 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.006 2.763 0.606 1.00 0.00 H new ATOM 0 HG23 VAL A 78 9.373 4.038 -0.462 1.00 0.00 H new ATOM 1049 N LEU A 79 9.369 5.781 0.924 1.00 0.00 N ATOM 1050 CA LEU A 79 8.293 6.755 0.786 1.00 0.00 C ATOM 1051 C LEU A 79 8.516 7.946 1.716 1.00 0.00 C ATOM 1052 O LEU A 79 8.109 9.067 1.412 1.00 0.00 O ATOM 1053 CB LEU A 79 6.942 6.102 1.085 1.00 0.00 C ATOM 1054 CG LEU A 79 6.171 5.618 -0.146 1.00 0.00 C ATOM 1055 CD1 LEU A 79 5.709 6.799 -0.987 1.00 0.00 C ATOM 1056 CD2 LEU A 79 7.028 4.675 -0.974 1.00 0.00 C ATOM 0 H LEU A 79 9.077 4.881 1.304 1.00 0.00 H new ATOM 0 HA LEU A 79 8.292 7.116 -0.243 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.105 5.254 1.750 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.322 6.817 1.626 1.00 0.00 H new ATOM 0 HG LEU A 79 5.289 5.074 0.193 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.163 6.435 -1.857 1.00 0.00 H new ATOM 0 HD12 LEU A 79 5.057 7.437 -0.391 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.576 7.372 -1.316 1.00 0.00 H new ATOM 0 HD21 LEU A 79 6.464 4.341 -1.845 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.928 5.195 -1.302 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.307 3.812 -0.370 1.00 0.00 H new ATOM 1068 N LYS A 80 9.165 7.694 2.850 1.00 0.00 N ATOM 1069 CA LYS A 80 9.442 8.745 3.823 1.00 0.00 C ATOM 1070 C LYS A 80 10.690 9.532 3.435 1.00 0.00 C ATOM 1071 O LYS A 80 10.796 10.726 3.715 1.00 0.00 O ATOM 1072 CB LYS A 80 9.620 8.142 5.219 1.00 0.00 C ATOM 1073 CG LYS A 80 8.384 8.257 6.096 1.00 0.00 C ATOM 1074 CD LYS A 80 7.160 7.662 5.421 1.00 0.00 C ATOM 1075 CE LYS A 80 5.945 7.700 6.335 1.00 0.00 C ATOM 1076 NZ LYS A 80 5.509 9.094 6.623 1.00 0.00 N ATOM 0 H LYS A 80 9.508 6.771 3.117 1.00 0.00 H new ATOM 0 HA LYS A 80 8.593 9.428 3.834 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.887 7.090 5.119 1.00 0.00 H new ATOM 0 HB3 LYS A 80 10.454 8.637 5.715 1.00 0.00 H new ATOM 0 HG2 LYS A 80 8.561 7.748 7.043 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.198 9.306 6.328 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.945 8.212 4.505 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.367 6.632 5.132 1.00 0.00 H new ATOM 0 HE2 LYS A 80 5.125 7.152 5.871 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.179 7.192 7.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.621 9.075 7.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.242 9.579 7.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.359 9.603 5.728 1.00 0.00 H new ATOM 1090 N SER A 81 11.635 8.851 2.793 1.00 0.00 N ATOM 1091 CA SER A 81 12.879 9.482 2.371 1.00 0.00 C ATOM 1092 C SER A 81 12.622 10.553 1.315 1.00 0.00 C ATOM 1093 O SER A 81 12.950 11.723 1.512 1.00 0.00 O ATOM 1094 CB SER A 81 13.846 8.432 1.822 1.00 0.00 C ATOM 1095 OG SER A 81 15.182 8.724 2.189 1.00 0.00 O ATOM 0 H SER A 81 11.562 7.862 2.554 1.00 0.00 H new ATOM 0 HA SER A 81 13.325 9.960 3.243 1.00 0.00 H new ATOM 0 HB2 SER A 81 13.570 7.447 2.199 1.00 0.00 H new ATOM 0 HB3 SER A 81 13.765 8.392 0.736 1.00 0.00 H new ATOM 0 HG SER A 81 15.779 8.036 1.827 1.00 0.00 H new ATOM 1101 N SER A 82 12.037 10.146 0.194 1.00 0.00 N ATOM 1102 CA SER A 82 11.740 11.072 -0.892 1.00 0.00 C ATOM 1103 C SER A 82 10.309 11.591 -0.795 1.00 0.00 C ATOM 1104 O SER A 82 9.373 10.825 -0.565 1.00 0.00 O ATOM 1105 CB SER A 82 11.960 10.392 -2.246 1.00 0.00 C ATOM 1106 OG SER A 82 12.792 11.177 -3.082 1.00 0.00 O ATOM 0 H SER A 82 11.759 9.181 0.014 1.00 0.00 H new ATOM 0 HA SER A 82 12.418 11.921 -0.805 1.00 0.00 H new ATOM 0 HB2 SER A 82 12.412 9.412 -2.095 1.00 0.00 H new ATOM 0 HB3 SER A 82 10.999 10.228 -2.734 1.00 0.00 H new ATOM 0 HG SER A 82 12.918 10.720 -3.940 1.00 0.00 H new ATOM 1112 N ARG A 83 10.145 12.897 -0.979 1.00 0.00 N ATOM 1113 CA ARG A 83 8.828 13.518 -0.920 1.00 0.00 C ATOM 1114 C ARG A 83 8.139 13.448 -2.279 1.00 0.00 C ATOM 1115 O ARG A 83 6.935 13.204 -2.366 1.00 0.00 O ATOM 1116 CB ARG A 83 8.946 14.975 -0.463 1.00 0.00 C ATOM 1117 CG ARG A 83 8.602 15.183 1.004 1.00 0.00 C ATOM 1118 CD ARG A 83 9.784 15.730 1.788 1.00 0.00 C ATOM 1119 NE ARG A 83 10.402 14.709 2.630 1.00 0.00 N ATOM 1120 CZ ARG A 83 11.378 14.958 3.501 1.00 0.00 C ATOM 1121 NH1 ARG A 83 11.848 16.189 3.648 1.00 0.00 N ATOM 1122 NH2 ARG A 83 11.885 13.971 4.229 1.00 0.00 N ATOM 0 H ARG A 83 10.909 13.546 -1.170 1.00 0.00 H new ATOM 0 HA ARG A 83 8.224 12.970 -0.197 1.00 0.00 H new ATOM 0 HB2 ARG A 83 9.964 15.322 -0.642 1.00 0.00 H new ATOM 0 HB3 ARG A 83 8.287 15.593 -1.073 1.00 0.00 H new ATOM 0 HG2 ARG A 83 7.761 15.872 1.086 1.00 0.00 H new ATOM 0 HG3 ARG A 83 8.283 14.237 1.440 1.00 0.00 H new ATOM 0 HD2 ARG A 83 10.526 16.126 1.095 1.00 0.00 H new ATOM 0 HD3 ARG A 83 9.453 16.561 2.410 1.00 0.00 H new ATOM 0 HE ARG A 83 10.066 13.749 2.546 1.00 0.00 H new ATOM 0 HH11 ARG A 83 11.462 16.952 3.092 1.00 0.00 H new ATOM 0 HH12 ARG A 83 12.596 16.373 4.317 1.00 0.00 H new ATOM 0 HH21 ARG A 83 11.527 13.022 4.121 1.00 0.00 H new ATOM 0 HH22 ARG A 83 12.633 14.161 4.896 1.00 0.00 H new ATOM 1136 N SER A 84 8.915 13.657 -3.338 1.00 0.00 N ATOM 1137 CA SER A 84 8.387 13.612 -4.697 1.00 0.00 C ATOM 1138 C SER A 84 8.872 12.359 -5.419 1.00 0.00 C ATOM 1139 O SER A 84 9.896 12.380 -6.100 1.00 0.00 O ATOM 1140 CB SER A 84 8.810 14.860 -5.474 1.00 0.00 C ATOM 1141 OG SER A 84 8.077 14.983 -6.679 1.00 0.00 O ATOM 0 H SER A 84 9.913 13.859 -3.281 1.00 0.00 H new ATOM 0 HA SER A 84 7.299 13.583 -4.641 1.00 0.00 H new ATOM 0 HB2 SER A 84 8.654 15.746 -4.858 1.00 0.00 H new ATOM 0 HB3 SER A 84 9.876 14.810 -5.697 1.00 0.00 H new ATOM 0 HG SER A 84 8.365 15.789 -7.156 1.00 0.00 H new ATOM 1147 N LEU A 85 8.131 11.266 -5.259 1.00 0.00 N ATOM 1148 CA LEU A 85 8.491 10.000 -5.889 1.00 0.00 C ATOM 1149 C LEU A 85 7.324 9.433 -6.693 1.00 0.00 C ATOM 1150 O LEU A 85 6.163 9.575 -6.308 1.00 0.00 O ATOM 1151 CB LEU A 85 8.941 8.977 -4.837 1.00 0.00 C ATOM 1152 CG LEU A 85 8.566 9.309 -3.390 1.00 0.00 C ATOM 1153 CD1 LEU A 85 7.053 9.316 -3.215 1.00 0.00 C ATOM 1154 CD2 LEU A 85 9.211 8.315 -2.435 1.00 0.00 C ATOM 0 H LEU A 85 7.279 11.232 -4.699 1.00 0.00 H new ATOM 0 HA LEU A 85 9.319 10.197 -6.570 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.512 8.008 -5.092 1.00 0.00 H new ATOM 0 HB3 LEU A 85 10.024 8.872 -4.898 1.00 0.00 H new ATOM 0 HG LEU A 85 8.940 10.306 -3.157 1.00 0.00 H new ATOM 0 HD11 LEU A 85 6.808 9.554 -2.180 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.614 10.065 -3.874 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.653 8.334 -3.466 1.00 0.00 H new ATOM 0 HD21 LEU A 85 8.935 8.564 -1.410 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.865 7.308 -2.670 1.00 0.00 H new ATOM 0 HD23 LEU A 85 10.295 8.360 -2.540 1.00 0.00 H new ATOM 1166 N THR A 86 7.646 8.781 -7.806 1.00 0.00 N ATOM 1167 CA THR A 86 6.630 8.178 -8.661 1.00 0.00 C ATOM 1168 C THR A 86 6.371 6.737 -8.232 1.00 0.00 C ATOM 1169 O THR A 86 7.285 5.914 -8.210 1.00 0.00 O ATOM 1170 CB THR A 86 7.069 8.219 -10.125 1.00 0.00 C ATOM 1171 OG1 THR A 86 7.392 9.542 -10.513 1.00 0.00 O ATOM 1172 CG2 THR A 86 6.015 7.704 -11.079 1.00 0.00 C ATOM 0 H THR A 86 8.603 8.657 -8.137 1.00 0.00 H new ATOM 0 HA THR A 86 5.707 8.749 -8.559 1.00 0.00 H new ATOM 0 HB THR A 86 7.940 7.566 -10.186 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.672 9.548 -11.452 1.00 0.00 H new ATOM 0 HG21 THR A 86 6.390 7.760 -12.101 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.779 6.668 -10.836 1.00 0.00 H new ATOM 0 HG23 THR A 86 5.115 8.312 -10.989 1.00 0.00 H new ATOM 1180 N ILE A 87 5.125 6.443 -7.881 1.00 0.00 N ATOM 1181 CA ILE A 87 4.756 5.104 -7.440 1.00 0.00 C ATOM 1182 C ILE A 87 3.751 4.455 -8.386 1.00 0.00 C ATOM 1183 O ILE A 87 2.696 5.022 -8.673 1.00 0.00 O ATOM 1184 CB ILE A 87 4.166 5.130 -6.017 1.00 0.00 C ATOM 1185 CG1 ILE A 87 3.110 6.233 -5.897 1.00 0.00 C ATOM 1186 CG2 ILE A 87 5.271 5.331 -4.990 1.00 0.00 C ATOM 1187 CD1 ILE A 87 2.529 6.369 -4.506 1.00 0.00 C ATOM 0 H ILE A 87 4.355 7.112 -7.893 1.00 0.00 H new ATOM 0 HA ILE A 87 5.671 4.512 -7.441 1.00 0.00 H new ATOM 0 HB ILE A 87 3.685 4.172 -5.821 1.00 0.00 H new ATOM 0 HG12 ILE A 87 3.555 7.184 -6.190 1.00 0.00 H new ATOM 0 HG13 ILE A 87 2.303 6.029 -6.600 1.00 0.00 H new ATOM 0 HG21 ILE A 87 4.839 5.347 -3.989 1.00 0.00 H new ATOM 0 HG22 ILE A 87 5.988 4.513 -5.062 1.00 0.00 H new ATOM 0 HG23 ILE A 87 5.778 6.277 -5.182 1.00 0.00 H new ATOM 0 HD11 ILE A 87 1.789 7.169 -4.497 1.00 0.00 H new ATOM 0 HD12 ILE A 87 2.054 5.432 -4.217 1.00 0.00 H new ATOM 0 HD13 ILE A 87 3.326 6.604 -3.800 1.00 0.00 H new ATOM 1199 N SER A 88 4.084 3.257 -8.857 1.00 0.00 N ATOM 1200 CA SER A 88 3.211 2.520 -9.763 1.00 0.00 C ATOM 1201 C SER A 88 2.350 1.534 -8.981 1.00 0.00 C ATOM 1202 O SER A 88 2.850 0.539 -8.456 1.00 0.00 O ATOM 1203 CB SER A 88 4.039 1.775 -10.812 1.00 0.00 C ATOM 1204 OG SER A 88 3.394 1.787 -12.072 1.00 0.00 O ATOM 0 H SER A 88 4.953 2.776 -8.626 1.00 0.00 H new ATOM 0 HA SER A 88 2.560 3.231 -10.271 1.00 0.00 H new ATOM 0 HB2 SER A 88 5.022 2.237 -10.899 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.198 0.746 -10.491 1.00 0.00 H new ATOM 0 HG SER A 88 3.944 1.306 -12.725 1.00 0.00 H new ATOM 1210 N ILE A 89 1.058 1.823 -8.898 1.00 0.00 N ATOM 1211 CA ILE A 89 0.128 0.968 -8.170 1.00 0.00 C ATOM 1212 C ILE A 89 -0.843 0.272 -9.118 1.00 0.00 C ATOM 1213 O ILE A 89 -1.194 0.808 -10.166 1.00 0.00 O ATOM 1214 CB ILE A 89 -0.666 1.780 -7.126 1.00 0.00 C ATOM 1215 CG1 ILE A 89 -1.679 0.888 -6.397 1.00 0.00 C ATOM 1216 CG2 ILE A 89 -1.357 2.965 -7.786 1.00 0.00 C ATOM 1217 CD1 ILE A 89 -3.025 0.780 -7.087 1.00 0.00 C ATOM 0 H ILE A 89 0.629 2.644 -9.326 1.00 0.00 H new ATOM 0 HA ILE A 89 0.721 0.210 -7.657 1.00 0.00 H new ATOM 0 HB ILE A 89 0.034 2.165 -6.384 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.256 -0.111 -6.292 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -1.830 1.277 -5.390 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -1.912 3.527 -7.035 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -0.610 3.613 -8.245 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.044 2.605 -8.552 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -3.681 0.132 -6.506 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -3.473 1.770 -7.168 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -2.890 0.360 -8.084 1.00 0.00 H new ATOM 1229 N VAL A 90 -1.281 -0.922 -8.736 1.00 0.00 N ATOM 1230 CA VAL A 90 -2.220 -1.687 -9.547 1.00 0.00 C ATOM 1231 C VAL A 90 -3.467 -2.034 -8.741 1.00 0.00 C ATOM 1232 O VAL A 90 -3.390 -2.720 -7.722 1.00 0.00 O ATOM 1233 CB VAL A 90 -1.580 -2.981 -10.080 1.00 0.00 C ATOM 1234 CG1 VAL A 90 -2.533 -3.702 -11.023 1.00 0.00 C ATOM 1235 CG2 VAL A 90 -0.262 -2.676 -10.775 1.00 0.00 C ATOM 0 H VAL A 90 -1.001 -1.381 -7.869 1.00 0.00 H new ATOM 0 HA VAL A 90 -2.498 -1.062 -10.396 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.377 -3.638 -9.235 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -2.062 -4.614 -11.389 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.450 -3.955 -10.490 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.771 -3.053 -11.866 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.177 -3.602 -11.146 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.439 -1.999 -11.610 1.00 0.00 H new ATOM 0 HG23 VAL A 90 0.423 -2.208 -10.068 1.00 0.00 H new ATOM 1245 N ALA A 91 -4.612 -1.546 -9.200 1.00 0.00 N ATOM 1246 CA ALA A 91 -5.878 -1.793 -8.520 1.00 0.00 C ATOM 1247 C ALA A 91 -6.179 -3.285 -8.414 1.00 0.00 C ATOM 1248 O ALA A 91 -5.968 -4.039 -9.364 1.00 0.00 O ATOM 1249 CB ALA A 91 -7.009 -1.076 -9.241 1.00 0.00 C ATOM 0 H ALA A 91 -4.691 -0.976 -10.042 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.793 -1.401 -7.507 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -7.949 -1.268 -8.724 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.812 -0.004 -9.251 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.077 -1.442 -10.266 1.00 0.00 H new ATOM 1255 N ALA A 92 -6.682 -3.698 -7.248 1.00 0.00 N ATOM 1256 CA ALA A 92 -7.034 -5.098 -6.993 1.00 0.00 C ATOM 1257 C ALA A 92 -5.825 -5.930 -6.565 1.00 0.00 C ATOM 1258 O ALA A 92 -5.984 -7.010 -5.995 1.00 0.00 O ATOM 1259 CB ALA A 92 -7.698 -5.720 -8.214 1.00 0.00 C ATOM 0 H ALA A 92 -6.856 -3.076 -6.458 1.00 0.00 H new ATOM 0 HA ALA A 92 -7.742 -5.101 -6.165 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.950 -6.759 -8.001 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.606 -5.168 -8.455 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.013 -5.679 -9.061 1.00 0.00 H new ATOM 1265 N ALA A 93 -4.622 -5.432 -6.833 1.00 0.00 N ATOM 1266 CA ALA A 93 -3.405 -6.146 -6.463 1.00 0.00 C ATOM 1267 C ALA A 93 -3.312 -6.333 -4.950 1.00 0.00 C ATOM 1268 O ALA A 93 -2.565 -7.183 -4.463 1.00 0.00 O ATOM 1269 CB ALA A 93 -2.186 -5.403 -6.985 1.00 0.00 C ATOM 0 H ALA A 93 -4.464 -4.541 -7.303 1.00 0.00 H new ATOM 0 HA ALA A 93 -3.438 -7.136 -6.918 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -1.282 -5.944 -6.704 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -2.242 -5.330 -8.071 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -2.158 -4.402 -6.555 1.00 0.00 H new ATOM 1275 N GLY A 94 -4.072 -5.530 -4.210 1.00 0.00 N ATOM 1276 CA GLY A 94 -4.067 -5.612 -2.761 1.00 0.00 C ATOM 1277 C GLY A 94 -5.385 -6.116 -2.204 1.00 0.00 C ATOM 1278 O GLY A 94 -5.423 -6.756 -1.153 1.00 0.00 O ATOM 0 H GLY A 94 -4.695 -4.819 -4.593 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -3.263 -6.275 -2.440 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -3.853 -4.627 -2.345 1.00 0.00 H new ATOM 1282 N ARG A 95 -6.469 -5.809 -2.909 1.00 0.00 N ATOM 1283 CA ARG A 95 -7.807 -6.213 -2.486 1.00 0.00 C ATOM 1284 C ARG A 95 -7.900 -7.724 -2.307 1.00 0.00 C ATOM 1285 O ARG A 95 -8.616 -8.208 -1.430 1.00 0.00 O ATOM 1286 CB ARG A 95 -8.844 -5.751 -3.512 1.00 0.00 C ATOM 1287 CG ARG A 95 -9.020 -4.242 -3.568 1.00 0.00 C ATOM 1288 CD ARG A 95 -10.123 -3.843 -4.536 1.00 0.00 C ATOM 1289 NE ARG A 95 -11.160 -3.043 -3.888 1.00 0.00 N ATOM 1290 CZ ARG A 95 -11.035 -1.745 -3.618 1.00 0.00 C ATOM 1291 NH1 ARG A 95 -9.920 -1.099 -3.936 1.00 0.00 N ATOM 1292 NH2 ARG A 95 -12.027 -1.093 -3.029 1.00 0.00 N ATOM 0 H ARG A 95 -6.447 -5.279 -3.780 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.010 -5.742 -1.524 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -8.551 -6.110 -4.498 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -9.804 -6.211 -3.277 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -9.255 -3.865 -2.573 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -8.082 -3.777 -3.872 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -9.692 -3.277 -5.362 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -10.572 -4.740 -4.963 1.00 0.00 H new ATOM 0 HE ARG A 95 -12.031 -3.506 -3.627 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -9.154 -1.597 -4.389 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -9.829 -0.105 -3.727 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -12.886 -1.585 -2.783 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -11.932 -0.099 -2.822 1.00 0.00 H new ATOM 1306 N GLU A 96 -7.175 -8.467 -3.138 1.00 0.00 N ATOM 1307 CA GLU A 96 -7.183 -9.925 -3.062 1.00 0.00 C ATOM 1308 C GLU A 96 -6.984 -10.397 -1.623 1.00 0.00 C ATOM 1309 O GLU A 96 -7.701 -11.273 -1.141 1.00 0.00 O ATOM 1310 CB GLU A 96 -6.088 -10.510 -3.958 1.00 0.00 C ATOM 1311 CG GLU A 96 -6.233 -12.002 -4.199 1.00 0.00 C ATOM 1312 CD GLU A 96 -7.258 -12.324 -5.268 1.00 0.00 C ATOM 1313 OE1 GLU A 96 -8.414 -11.871 -5.138 1.00 0.00 O ATOM 1314 OE2 GLU A 96 -6.905 -13.030 -6.237 1.00 0.00 O ATOM 0 H GLU A 96 -6.576 -8.085 -3.870 1.00 0.00 H new ATOM 0 HA GLU A 96 -8.154 -10.276 -3.410 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -6.100 -9.993 -4.917 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.116 -10.316 -3.504 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.267 -12.414 -4.491 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -6.519 -12.490 -3.268 1.00 0.00 H new ATOM 1321 N LEU A 97 -6.011 -9.802 -0.943 1.00 0.00 N ATOM 1322 CA LEU A 97 -5.722 -10.150 0.442 1.00 0.00 C ATOM 1323 C LEU A 97 -6.822 -9.643 1.371 1.00 0.00 C ATOM 1324 O LEU A 97 -7.284 -10.364 2.256 1.00 0.00 O ATOM 1325 CB LEU A 97 -4.372 -9.568 0.865 1.00 0.00 C ATOM 1326 CG LEU A 97 -3.210 -9.883 -0.078 1.00 0.00 C ATOM 1327 CD1 LEU A 97 -1.974 -9.094 0.319 1.00 0.00 C ATOM 1328 CD2 LEU A 97 -2.917 -11.377 -0.080 1.00 0.00 C ATOM 0 H LEU A 97 -5.408 -9.075 -1.329 1.00 0.00 H new ATOM 0 HA LEU A 97 -5.680 -11.237 0.517 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.470 -8.486 0.948 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.126 -9.943 1.858 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.494 -9.588 -1.088 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.157 -9.330 -0.363 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.192 -8.027 0.268 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.685 -9.358 1.337 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.088 -11.584 -0.756 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.652 -11.697 0.928 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.801 -11.921 -0.413 1.00 0.00 H new ATOM 1340 N PHE A 98 -7.234 -8.397 1.163 1.00 0.00 N ATOM 1341 CA PHE A 98 -8.276 -7.784 1.978 1.00 0.00 C ATOM 1342 C PHE A 98 -9.574 -8.585 1.910 1.00 0.00 C ATOM 1343 O PHE A 98 -10.367 -8.580 2.852 1.00 0.00 O ATOM 1344 CB PHE A 98 -8.528 -6.346 1.522 1.00 0.00 C ATOM 1345 CG PHE A 98 -7.810 -5.319 2.352 1.00 0.00 C ATOM 1346 CD1 PHE A 98 -6.519 -4.933 2.036 1.00 0.00 C ATOM 1347 CD2 PHE A 98 -8.428 -4.745 3.453 1.00 0.00 C ATOM 1348 CE1 PHE A 98 -5.856 -3.990 2.798 1.00 0.00 C ATOM 1349 CE2 PHE A 98 -7.771 -3.801 4.218 1.00 0.00 C ATOM 1350 CZ PHE A 98 -6.482 -3.423 3.891 1.00 0.00 C ATOM 0 H PHE A 98 -6.860 -7.790 0.434 1.00 0.00 H new ATOM 0 HA PHE A 98 -7.932 -7.778 3.012 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -8.217 -6.243 0.482 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -9.599 -6.145 1.556 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -6.024 -5.374 1.184 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -9.434 -5.039 3.715 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -4.849 -3.697 2.539 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -8.264 -3.359 5.071 1.00 0.00 H new ATOM 0 HZ PHE A 98 -5.966 -2.686 4.489 1.00 0.00 H new ATOM 1360 N MET A 99 -9.786 -9.274 0.792 1.00 0.00 N ATOM 1361 CA MET A 99 -10.990 -10.077 0.603 1.00 0.00 C ATOM 1362 C MET A 99 -11.183 -11.056 1.758 1.00 0.00 C ATOM 1363 O MET A 99 -10.342 -11.921 2.000 1.00 0.00 O ATOM 1364 CB MET A 99 -10.917 -10.840 -0.722 1.00 0.00 C ATOM 1365 CG MET A 99 -11.730 -10.201 -1.838 1.00 0.00 C ATOM 1366 SD MET A 99 -13.004 -11.297 -2.490 1.00 0.00 S ATOM 1367 CE MET A 99 -14.206 -11.247 -1.163 1.00 0.00 C ATOM 0 H MET A 99 -9.139 -9.292 0.003 1.00 0.00 H new ATOM 0 HA MET A 99 -11.845 -9.401 0.579 1.00 0.00 H new ATOM 0 HB2 MET A 99 -9.875 -10.908 -1.036 1.00 0.00 H new ATOM 0 HB3 MET A 99 -11.270 -11.859 -0.565 1.00 0.00 H new ATOM 0 HG2 MET A 99 -12.197 -9.290 -1.465 1.00 0.00 H new ATOM 0 HG3 MET A 99 -11.061 -9.908 -2.647 1.00 0.00 H new ATOM 0 HE1 MET A 99 -15.057 -11.879 -1.419 1.00 0.00 H new ATOM 0 HE2 MET A 99 -13.748 -11.610 -0.243 1.00 0.00 H new ATOM 0 HE3 MET A 99 -14.546 -10.222 -1.018 1.00 0.00 H new ATOM 1377 N THR A 100 -12.297 -10.910 2.470 1.00 0.00 N ATOM 1378 CA THR A 100 -12.601 -11.782 3.599 1.00 0.00 C ATOM 1379 C THR A 100 -13.492 -12.942 3.169 1.00 0.00 C ATOM 1380 O THR A 100 -14.143 -12.884 2.126 1.00 0.00 O ATOM 1381 CB THR A 100 -13.284 -10.984 4.712 1.00 0.00 C ATOM 1382 OG1 THR A 100 -12.539 -9.821 5.026 1.00 0.00 O ATOM 1383 CG2 THR A 100 -13.463 -11.774 5.990 1.00 0.00 C ATOM 0 H THR A 100 -13.003 -10.197 2.285 1.00 0.00 H new ATOM 0 HA THR A 100 -11.663 -12.191 3.974 1.00 0.00 H new ATOM 0 HB THR A 100 -14.269 -10.728 4.321 1.00 0.00 H new ATOM 0 HG1 THR A 100 -12.993 -9.324 5.738 1.00 0.00 H new ATOM 0 HG21 THR A 100 -13.953 -11.150 6.738 1.00 0.00 H new ATOM 0 HG22 THR A 100 -14.077 -12.653 5.792 1.00 0.00 H new ATOM 0 HG23 THR A 100 -12.488 -12.089 6.363 1.00 0.00 H new TER 1391 THR A 100 ATOM 1392 N THR B 111 -1.440 -14.547 12.330 1.00 0.00 N ATOM 1393 CA THR B 111 -0.445 -13.542 12.687 1.00 0.00 C ATOM 1394 C THR B 111 -0.908 -12.147 12.276 1.00 0.00 C ATOM 1395 O THR B 111 -1.557 -11.980 11.241 1.00 0.00 O ATOM 1396 CB THR B 111 0.896 -13.864 12.025 1.00 0.00 C ATOM 1397 OG1 THR B 111 0.739 -14.020 10.626 1.00 0.00 O ATOM 1398 CG2 THR B 111 1.541 -15.124 12.558 1.00 0.00 C ATOM 0 HA THR B 111 -0.320 -13.559 13.770 1.00 0.00 H new ATOM 0 HB THR B 111 1.543 -13.019 12.259 1.00 0.00 H new ATOM 0 HG1 THR B 111 -0.192 -14.251 10.425 1.00 0.00 H new ATOM 0 HG21 THR B 111 2.488 -15.293 12.045 1.00 0.00 H new ATOM 0 HG22 THR B 111 1.722 -15.016 13.627 1.00 0.00 H new ATOM 0 HG23 THR B 111 0.879 -15.973 12.386 1.00 0.00 H new ATOM 1406 N PRO B 112 -0.581 -11.121 13.081 1.00 0.00 N ATOM 1407 CA PRO B 112 -0.968 -9.738 12.793 1.00 0.00 C ATOM 1408 C PRO B 112 -0.104 -9.107 11.705 1.00 0.00 C ATOM 1409 O PRO B 112 1.015 -9.550 11.452 1.00 0.00 O ATOM 1410 CB PRO B 112 -0.744 -9.032 14.129 1.00 0.00 C ATOM 1411 CG PRO B 112 0.358 -9.798 14.775 1.00 0.00 C ATOM 1412 CD PRO B 112 0.190 -11.229 14.335 1.00 0.00 C ATOM 0 HA PRO B 112 -1.989 -9.666 12.419 1.00 0.00 H new ATOM 0 HB2 PRO B 112 -0.470 -7.987 13.985 1.00 0.00 H new ATOM 0 HB3 PRO B 112 -1.647 -9.043 14.740 1.00 0.00 H new ATOM 0 HG2 PRO B 112 1.331 -9.410 14.473 1.00 0.00 H new ATOM 0 HG3 PRO B 112 0.305 -9.716 15.861 1.00 0.00 H new ATOM 0 HD2 PRO B 112 1.153 -11.714 14.173 1.00 0.00 H new ATOM 0 HD3 PRO B 112 -0.341 -11.818 15.082 1.00 0.00 H new ATOM 1420 N LEU B 113 -0.632 -8.068 11.065 1.00 0.00 N ATOM 1421 CA LEU B 113 0.092 -7.373 10.006 1.00 0.00 C ATOM 1422 C LEU B 113 0.365 -5.924 10.395 1.00 0.00 C ATOM 1423 O LEU B 113 -0.549 -5.190 10.775 1.00 0.00 O ATOM 1424 CB LEU B 113 -0.701 -7.422 8.699 1.00 0.00 C ATOM 1425 CG LEU B 113 -1.154 -8.818 8.269 1.00 0.00 C ATOM 1426 CD1 LEU B 113 -2.219 -8.723 7.186 1.00 0.00 C ATOM 1427 CD2 LEU B 113 0.032 -9.635 7.782 1.00 0.00 C ATOM 0 H LEU B 113 -1.558 -7.689 11.261 1.00 0.00 H new ATOM 0 HA LEU B 113 1.047 -7.878 9.862 1.00 0.00 H new ATOM 0 HB2 LEU B 113 -1.581 -6.787 8.801 1.00 0.00 H new ATOM 0 HB3 LEU B 113 -0.090 -6.994 7.904 1.00 0.00 H new ATOM 0 HG LEU B 113 -1.587 -9.322 9.133 1.00 0.00 H new ATOM 0 HD11 LEU B 113 -2.530 -9.726 6.892 1.00 0.00 H new ATOM 0 HD12 LEU B 113 -3.079 -8.174 7.569 1.00 0.00 H new ATOM 0 HD13 LEU B 113 -1.812 -8.201 6.320 1.00 0.00 H new ATOM 0 HD21 LEU B 113 -0.308 -10.626 7.480 1.00 0.00 H new ATOM 0 HD22 LEU B 113 0.494 -9.135 6.931 1.00 0.00 H new ATOM 0 HD23 LEU B 113 0.762 -9.731 8.586 1.00 0.00 H new ATOM 1439 N GLU B 114 1.626 -5.519 10.300 1.00 0.00 N ATOM 1440 CA GLU B 114 2.022 -4.159 10.644 1.00 0.00 C ATOM 1441 C GLU B 114 1.465 -3.158 9.636 1.00 0.00 C ATOM 1442 O GLU B 114 1.295 -3.477 8.459 1.00 0.00 O ATOM 1443 CB GLU B 114 3.546 -4.047 10.703 1.00 0.00 C ATOM 1444 CG GLU B 114 4.193 -5.053 11.642 1.00 0.00 C ATOM 1445 CD GLU B 114 5.458 -4.519 12.286 1.00 0.00 C ATOM 1446 OE1 GLU B 114 5.599 -3.281 12.381 1.00 0.00 O ATOM 1447 OE2 GLU B 114 6.307 -5.338 12.694 1.00 0.00 O ATOM 0 H GLU B 114 2.393 -6.114 9.987 1.00 0.00 H new ATOM 0 HA GLU B 114 1.610 -3.926 11.626 1.00 0.00 H new ATOM 0 HB2 GLU B 114 3.951 -4.185 9.701 1.00 0.00 H new ATOM 0 HB3 GLU B 114 3.816 -3.040 11.020 1.00 0.00 H new ATOM 0 HG2 GLU B 114 3.481 -5.328 12.421 1.00 0.00 H new ATOM 0 HG3 GLU B 114 4.427 -5.963 11.089 1.00 0.00 H new ATOM 1454 N ILE B 115 1.184 -1.947 10.105 1.00 0.00 N ATOM 1455 CA ILE B 115 0.647 -0.898 9.244 1.00 0.00 C ATOM 1456 C ILE B 115 1.326 0.439 9.522 1.00 0.00 C ATOM 1457 O ILE B 115 1.701 0.731 10.658 1.00 0.00 O ATOM 1458 CB ILE B 115 -0.875 -0.736 9.431 1.00 0.00 C ATOM 1459 CG1 ILE B 115 -1.556 -2.106 9.507 1.00 0.00 C ATOM 1460 CG2 ILE B 115 -1.463 0.090 8.297 1.00 0.00 C ATOM 1461 CD1 ILE B 115 -3.056 -2.027 9.689 1.00 0.00 C ATOM 0 H ILE B 115 1.319 -1.667 11.076 1.00 0.00 H new ATOM 0 HA ILE B 115 0.847 -1.201 8.216 1.00 0.00 H new ATOM 0 HB ILE B 115 -1.054 -0.212 10.370 1.00 0.00 H new ATOM 0 HG12 ILE B 115 -1.338 -2.662 8.595 1.00 0.00 H new ATOM 0 HG13 ILE B 115 -1.127 -2.670 10.335 1.00 0.00 H new ATOM 0 HG21 ILE B 115 -2.538 0.195 8.443 1.00 0.00 H new ATOM 0 HG22 ILE B 115 -1.000 1.077 8.287 1.00 0.00 H new ATOM 0 HG23 ILE B 115 -1.273 -0.409 7.347 1.00 0.00 H new ATOM 0 HD11 ILE B 115 -3.471 -3.034 9.734 1.00 0.00 H new ATOM 0 HD12 ILE B 115 -3.283 -1.499 10.615 1.00 0.00 H new ATOM 0 HD13 ILE B 115 -3.497 -1.491 8.849 1.00 0.00 H new ATOM 1473 N THR B 116 1.482 1.248 8.479 1.00 0.00 N ATOM 1474 CA THR B 116 2.117 2.554 8.612 1.00 0.00 C ATOM 1475 C THR B 116 1.410 3.596 7.750 1.00 0.00 C ATOM 1476 O THR B 116 1.134 3.358 6.574 1.00 0.00 O ATOM 1477 CB THR B 116 3.593 2.469 8.221 1.00 0.00 C ATOM 1478 OG1 THR B 116 4.260 1.483 8.989 1.00 0.00 O ATOM 1479 CG2 THR B 116 4.337 3.773 8.404 1.00 0.00 C ATOM 0 H THR B 116 1.177 1.022 7.532 1.00 0.00 H new ATOM 0 HA THR B 116 2.041 2.861 9.655 1.00 0.00 H new ATOM 0 HB THR B 116 3.596 2.213 7.161 1.00 0.00 H new ATOM 0 HG1 THR B 116 5.200 1.736 9.101 1.00 0.00 H new ATOM 0 HG21 THR B 116 5.378 3.643 8.108 1.00 0.00 H new ATOM 0 HG22 THR B 116 3.878 4.544 7.785 1.00 0.00 H new ATOM 0 HG23 THR B 116 4.292 4.074 9.451 1.00 0.00 H new ATOM 1487 N GLU B 117 1.122 4.750 8.342 1.00 0.00 N ATOM 1488 CA GLU B 117 0.449 5.828 7.627 1.00 0.00 C ATOM 1489 C GLU B 117 1.463 6.791 7.017 1.00 0.00 C ATOM 1490 O GLU B 117 2.508 7.064 7.607 1.00 0.00 O ATOM 1491 CB GLU B 117 -0.488 6.586 8.569 1.00 0.00 C ATOM 1492 CG GLU B 117 -1.738 5.806 8.941 1.00 0.00 C ATOM 1493 CD GLU B 117 -2.176 6.053 10.371 1.00 0.00 C ATOM 1494 OE1 GLU B 117 -2.722 7.143 10.645 1.00 0.00 O ATOM 1495 OE2 GLU B 117 -1.973 5.158 11.218 1.00 0.00 O ATOM 0 H GLU B 117 1.344 4.963 9.315 1.00 0.00 H new ATOM 0 HA GLU B 117 -0.137 5.386 6.821 1.00 0.00 H new ATOM 0 HB2 GLU B 117 0.055 6.842 9.479 1.00 0.00 H new ATOM 0 HB3 GLU B 117 -0.782 7.524 8.098 1.00 0.00 H new ATOM 0 HG2 GLU B 117 -2.548 6.080 8.265 1.00 0.00 H new ATOM 0 HG3 GLU B 117 -1.552 4.741 8.801 1.00 0.00 H new ATOM 1502 N LEU B 118 1.146 7.304 5.831 1.00 0.00 N ATOM 1503 CA LEU B 118 2.029 8.236 5.141 1.00 0.00 C ATOM 1504 C LEU B 118 1.320 9.560 4.876 1.00 0.00 C ATOM 1505 O LEU B 118 0.116 9.531 4.547 1.00 0.00 O ATOM 1506 CB LEU B 118 2.516 7.632 3.823 1.00 0.00 C ATOM 1507 CG LEU B 118 3.074 6.209 3.930 1.00 0.00 C ATOM 1508 CD1 LEU B 118 2.133 5.213 3.268 1.00 0.00 C ATOM 1509 CD2 LEU B 118 4.461 6.130 3.307 1.00 0.00 C ATOM 1510 OXT LEU B 118 1.976 10.617 4.999 1.00 0.00 O ATOM 0 H LEU B 118 0.284 7.089 5.329 1.00 0.00 H new ATOM 0 HA LEU B 118 2.889 8.426 5.783 1.00 0.00 H new ATOM 0 HB2 LEU B 118 1.688 7.629 3.114 1.00 0.00 H new ATOM 0 HB3 LEU B 118 3.289 8.279 3.408 1.00 0.00 H new ATOM 0 HG LEU B 118 3.157 5.952 4.986 1.00 0.00 H new ATOM 0 HD11 LEU B 118 2.547 4.208 3.355 1.00 0.00 H new ATOM 0 HD12 LEU B 118 1.161 5.249 3.760 1.00 0.00 H new ATOM 0 HD13 LEU B 118 2.016 5.468 2.215 1.00 0.00 H new ATOM 0 HD21 LEU B 118 4.841 5.112 3.393 1.00 0.00 H new ATOM 0 HD22 LEU B 118 4.404 6.409 2.255 1.00 0.00 H new ATOM 0 HD23 LEU B 118 5.133 6.813 3.827 1.00 0.00 H new TER 1522 LEU B 118