USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 667 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 61 HIS : no HE2:sc= 0.45 K(o=0.59,f=-3.1) USER MOD Set 1.2: A 64 GLN : amide:sc= 0.415 X(o=0.59,f=0.25) USER MOD Set 1.3: A 97 THR OG1 : rot -50:sc= -0.271 USER MOD Set 2.1: A 72 LYS NZ :NH3+ 175:sc=-0.00295 (180deg=-0.0828) USER MOD Set 2.2: A 83 HIS : no HE2:sc= -1.7 K(o=-1.7,f=-3.8!) USER MOD Set 3.1: A 81 SER OG : rot 18:sc= 0.607 USER MOD Set 3.2: A 86 HIS : no HE2:sc= 0.488 K(o=1.1,f=-0.4) USER MOD Set 4.1: A 46 SER OG : rot 180:sc= -0.167 USER MOD Set 4.2: A 48 GLN : amide:sc= -1.53! K(o=-1.7!,f=-0.79) USER MOD Single : A 24 LYS NZ :NH3+ 165:sc= 0.212 (180deg=0.159) USER MOD Single : A 26 MET CE :methyl 163:sc= -1.48 (180deg=-2.16) USER MOD Single : A 27 LYS NZ :NH3+ -131:sc= 0.774 (180deg=-0.0529) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 165:sc= -0.0446 (180deg=-0.276) USER MOD Single : A 32 THR OG1 : rot -57:sc= 1.32 USER MOD Single : A 34 LYS NZ :NH3+ -140:sc= 0.885 (180deg=-0.598) USER MOD Single : A 36 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00103) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= -1.03 USER MOD Single : A 49 GLN : amide:sc= -0.122 K(o=-0.12,f=-2.9!) USER MOD Single : A 51 LYS NZ :NH3+ -118:sc= 0.572 (180deg=-0.0225) USER MOD Single : A 55 SER OG : rot 42:sc= 0.493 USER MOD Single : A 56 LYS NZ :NH3+ -171:sc= 0.973 (180deg=0.76) USER MOD Single : A 59 LYS NZ :NH3+ 155:sc= 0.752 (180deg=0.402) USER MOD Single : A 60 SER OG : rot 65:sc= 0.31 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00274) USER MOD Single : A 77 GLN : amide:sc= 0.0786 X(o=0.079,f=-0.1) USER MOD Single : A 79 THR OG1 : rot 153:sc= -0.643 USER MOD Single : A 82 GLN : amide:sc= -0.0487 X(o=-0.049,f=-0.35) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= -0.0773 X(o=-0.077,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 23 -12.595 19.731 9.508 1.00 0.00 N ATOM 2 CA PRO A 23 -12.193 19.630 8.079 1.00 0.00 C ATOM 3 C PRO A 23 -12.556 18.248 7.509 1.00 0.00 C ATOM 4 O PRO A 23 -12.883 17.322 8.265 1.00 0.00 O ATOM 5 CB PRO A 23 -10.677 19.922 7.977 1.00 0.00 C ATOM 6 CG PRO A 23 -10.226 19.850 9.401 1.00 0.00 C ATOM 7 CD PRO A 23 -11.425 20.263 10.240 1.00 0.00 C ATOM 0 HA PRO A 23 -12.734 20.363 7.481 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -10.165 19.189 7.354 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -10.483 20.902 7.541 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -9.899 18.842 9.657 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -9.379 20.514 9.576 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -11.366 19.849 11.247 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.482 21.347 10.344 1.00 0.00 H new ATOM 15 N LYS A 24 -12.513 18.130 6.166 1.00 0.00 N ATOM 16 CA LYS A 24 -12.728 16.853 5.461 1.00 0.00 C ATOM 17 C LYS A 24 -11.459 15.982 5.529 1.00 0.00 C ATOM 18 O LYS A 24 -10.338 16.505 5.581 1.00 0.00 O ATOM 19 CB LYS A 24 -13.161 17.111 3.983 1.00 0.00 C ATOM 20 CG LYS A 24 -13.283 15.835 3.103 1.00 0.00 C ATOM 21 CD LYS A 24 -14.046 16.054 1.782 1.00 0.00 C ATOM 22 CE LYS A 24 -13.424 17.123 0.871 1.00 0.00 C ATOM 23 NZ LYS A 24 -12.110 16.712 0.323 1.00 0.00 N ATOM 0 H LYS A 24 -12.329 18.916 5.543 1.00 0.00 H new ATOM 0 HA LYS A 24 -13.534 16.310 5.955 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -14.122 17.625 3.986 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.440 17.785 3.521 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -12.283 15.466 2.876 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -13.787 15.057 3.677 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -14.090 15.110 1.239 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -15.073 16.339 2.010 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -14.106 17.335 0.048 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -13.305 18.049 1.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.853 17.336 -0.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.387 16.781 1.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -12.167 15.730 -0.015 1.00 0.00 H new ATOM 37 N ILE A 25 -11.659 14.656 5.524 1.00 0.00 N ATOM 38 CA ILE A 25 -10.570 13.663 5.582 1.00 0.00 C ATOM 39 C ILE A 25 -10.054 13.392 4.156 1.00 0.00 C ATOM 40 O ILE A 25 -10.820 13.508 3.183 1.00 0.00 O ATOM 41 CB ILE A 25 -11.062 12.341 6.294 1.00 0.00 C ATOM 42 CG1 ILE A 25 -9.851 11.568 6.892 1.00 0.00 C ATOM 43 CG2 ILE A 25 -11.895 11.429 5.348 1.00 0.00 C ATOM 44 CD1 ILE A 25 -10.211 10.380 7.754 1.00 0.00 C ATOM 0 H ILE A 25 -12.588 14.237 5.479 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.744 14.055 6.176 1.00 0.00 H new ATOM 0 HB ILE A 25 -11.728 12.637 7.105 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -9.219 11.225 6.073 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.255 12.261 7.486 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -12.208 10.535 5.887 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -12.775 11.971 5.002 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -11.286 11.141 4.491 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -9.300 9.909 8.123 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -10.815 10.713 8.598 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -10.778 9.660 7.163 1.00 0.00 H new ATOM 56 N MET A 26 -8.771 13.029 4.022 1.00 0.00 N ATOM 57 CA MET A 26 -8.124 12.896 2.707 1.00 0.00 C ATOM 58 C MET A 26 -8.487 11.549 2.077 1.00 0.00 C ATOM 59 O MET A 26 -8.090 10.481 2.569 1.00 0.00 O ATOM 60 CB MET A 26 -6.586 13.059 2.833 1.00 0.00 C ATOM 61 CG MET A 26 -5.817 13.029 1.507 1.00 0.00 C ATOM 62 SD MET A 26 -4.087 13.536 1.677 1.00 0.00 S ATOM 63 CE MET A 26 -3.342 12.148 2.527 1.00 0.00 C ATOM 0 H MET A 26 -8.158 12.821 4.810 1.00 0.00 H new ATOM 0 HA MET A 26 -8.488 13.689 2.054 1.00 0.00 H new ATOM 0 HB2 MET A 26 -6.376 14.004 3.335 1.00 0.00 H new ATOM 0 HB3 MET A 26 -6.204 12.265 3.475 1.00 0.00 H new ATOM 0 HG2 MET A 26 -5.855 12.021 1.095 1.00 0.00 H new ATOM 0 HG3 MET A 26 -6.313 13.685 0.791 1.00 0.00 H new ATOM 0 HE1 MET A 26 -2.258 12.196 2.422 1.00 0.00 H new ATOM 0 HE2 MET A 26 -3.606 12.184 3.584 1.00 0.00 H new ATOM 0 HE3 MET A 26 -3.707 11.217 2.093 1.00 0.00 H new ATOM 73 N LYS A 27 -9.295 11.629 1.006 1.00 0.00 N ATOM 74 CA LYS A 27 -9.746 10.466 0.243 1.00 0.00 C ATOM 75 C LYS A 27 -8.660 10.099 -0.778 1.00 0.00 C ATOM 76 O LYS A 27 -8.395 10.874 -1.705 1.00 0.00 O ATOM 77 CB LYS A 27 -11.094 10.776 -0.474 1.00 0.00 C ATOM 78 CG LYS A 27 -12.157 11.517 0.382 1.00 0.00 C ATOM 79 CD LYS A 27 -12.532 10.811 1.703 1.00 0.00 C ATOM 80 CE LYS A 27 -13.120 9.401 1.502 1.00 0.00 C ATOM 81 NZ LYS A 27 -14.308 9.402 0.604 1.00 0.00 N ATOM 0 H LYS A 27 -9.653 12.514 0.647 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.914 9.625 0.915 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.884 11.377 -1.359 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.524 9.837 -0.821 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -11.785 12.515 0.613 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -13.060 11.643 -0.215 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.645 10.739 2.332 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.255 11.424 2.241 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.354 8.747 1.085 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -13.401 8.986 2.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -15.080 8.866 1.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -14.617 10.381 0.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -14.058 8.959 -0.303 1.00 0.00 H new ATOM 95 N VAL A 28 -8.014 8.944 -0.584 1.00 0.00 N ATOM 96 CA VAL A 28 -6.876 8.505 -1.410 1.00 0.00 C ATOM 97 C VAL A 28 -7.221 7.206 -2.146 1.00 0.00 C ATOM 98 O VAL A 28 -7.450 6.179 -1.513 1.00 0.00 O ATOM 99 CB VAL A 28 -5.582 8.285 -0.532 1.00 0.00 C ATOM 100 CG1 VAL A 28 -4.359 7.950 -1.413 1.00 0.00 C ATOM 101 CG2 VAL A 28 -5.320 9.505 0.380 1.00 0.00 C ATOM 0 H VAL A 28 -8.264 8.283 0.152 1.00 0.00 H new ATOM 0 HA VAL A 28 -6.673 9.292 -2.137 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.754 7.425 0.116 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.484 7.804 -0.780 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -4.555 7.038 -1.977 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.173 8.771 -2.105 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.424 9.329 0.975 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.179 10.395 -0.234 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.172 9.653 1.043 1.00 0.00 H new ATOM 111 N THR A 29 -7.227 7.264 -3.481 1.00 0.00 N ATOM 112 CA THR A 29 -7.399 6.084 -4.331 1.00 0.00 C ATOM 113 C THR A 29 -6.043 5.376 -4.464 1.00 0.00 C ATOM 114 O THR A 29 -5.000 6.028 -4.505 1.00 0.00 O ATOM 115 CB THR A 29 -7.933 6.484 -5.748 1.00 0.00 C ATOM 116 OG1 THR A 29 -9.159 7.210 -5.609 1.00 0.00 O ATOM 117 CG2 THR A 29 -8.169 5.262 -6.659 1.00 0.00 C ATOM 0 H THR A 29 -7.112 8.133 -4.003 1.00 0.00 H new ATOM 0 HA THR A 29 -8.131 5.418 -3.875 1.00 0.00 H new ATOM 0 HB THR A 29 -7.168 7.102 -6.218 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.492 7.462 -6.495 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.539 5.597 -7.628 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.231 4.723 -6.795 1.00 0.00 H new ATOM 0 HG23 THR A 29 -8.904 4.602 -6.199 1.00 0.00 H new ATOM 125 N VAL A 30 -6.055 4.044 -4.415 1.00 0.00 N ATOM 126 CA VAL A 30 -4.869 3.211 -4.651 1.00 0.00 C ATOM 127 C VAL A 30 -5.206 2.177 -5.734 1.00 0.00 C ATOM 128 O VAL A 30 -6.173 1.414 -5.595 1.00 0.00 O ATOM 129 CB VAL A 30 -4.378 2.513 -3.326 1.00 0.00 C ATOM 130 CG1 VAL A 30 -3.168 1.582 -3.572 1.00 0.00 C ATOM 131 CG2 VAL A 30 -4.032 3.566 -2.251 1.00 0.00 C ATOM 0 H VAL A 30 -6.896 3.504 -4.208 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.047 3.842 -4.991 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.200 1.894 -2.967 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.865 1.123 -2.631 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.446 0.803 -4.282 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.339 2.162 -3.977 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.695 3.063 -1.344 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.240 4.217 -2.621 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.917 4.162 -2.028 1.00 0.00 H new ATOM 141 N LYS A 31 -4.402 2.167 -6.810 1.00 0.00 N ATOM 142 CA LYS A 31 -4.608 1.296 -7.972 1.00 0.00 C ATOM 143 C LYS A 31 -3.726 0.054 -7.774 1.00 0.00 C ATOM 144 O LYS A 31 -2.488 0.138 -7.804 1.00 0.00 O ATOM 145 CB LYS A 31 -4.254 2.071 -9.284 1.00 0.00 C ATOM 146 CG LYS A 31 -4.933 1.561 -10.584 1.00 0.00 C ATOM 147 CD LYS A 31 -4.446 0.174 -11.061 1.00 0.00 C ATOM 148 CE LYS A 31 -5.052 -0.223 -12.417 1.00 0.00 C ATOM 149 NZ LYS A 31 -4.697 0.740 -13.493 1.00 0.00 N ATOM 0 H LYS A 31 -3.584 2.770 -6.895 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.649 0.985 -8.063 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -4.521 3.119 -9.146 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.174 2.033 -9.424 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.010 1.518 -10.423 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.758 2.286 -11.379 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.359 0.180 -11.139 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.707 -0.577 -10.315 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.702 -1.218 -12.692 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.137 -0.280 -12.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.901 0.315 -14.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.256 1.609 -13.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.684 0.970 -13.433 1.00 0.00 H new ATOM 163 N THR A 32 -4.385 -1.082 -7.544 1.00 0.00 N ATOM 164 CA THR A 32 -3.745 -2.345 -7.162 1.00 0.00 C ATOM 165 C THR A 32 -4.003 -3.407 -8.248 1.00 0.00 C ATOM 166 O THR A 32 -4.858 -3.190 -9.117 1.00 0.00 O ATOM 167 CB THR A 32 -4.323 -2.819 -5.782 1.00 0.00 C ATOM 168 OG1 THR A 32 -5.675 -3.277 -5.929 1.00 0.00 O ATOM 169 CG2 THR A 32 -4.286 -1.687 -4.751 1.00 0.00 C ATOM 0 H THR A 32 -5.400 -1.153 -7.619 1.00 0.00 H new ATOM 0 HA THR A 32 -2.669 -2.201 -7.067 1.00 0.00 H new ATOM 0 HB THR A 32 -3.698 -3.640 -5.431 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.221 -2.564 -6.322 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.692 -2.043 -3.804 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.256 -1.362 -4.604 1.00 0.00 H new ATOM 0 HG23 THR A 32 -4.883 -0.849 -5.110 1.00 0.00 H new ATOM 177 N PRO A 33 -3.270 -4.569 -8.237 1.00 0.00 N ATOM 178 CA PRO A 33 -3.503 -5.675 -9.207 1.00 0.00 C ATOM 179 C PRO A 33 -4.936 -6.268 -9.145 1.00 0.00 C ATOM 180 O PRO A 33 -5.363 -6.948 -10.083 1.00 0.00 O ATOM 181 CB PRO A 33 -2.418 -6.718 -8.821 1.00 0.00 C ATOM 182 CG PRO A 33 -2.071 -6.394 -7.402 1.00 0.00 C ATOM 183 CD PRO A 33 -2.127 -4.893 -7.328 1.00 0.00 C ATOM 0 HA PRO A 33 -3.428 -5.334 -10.239 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.796 -7.736 -8.914 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -1.546 -6.641 -9.470 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.776 -6.851 -6.708 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.080 -6.767 -7.142 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -2.305 -4.543 -6.311 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -1.197 -4.435 -7.665 1.00 0.00 H new ATOM 191 N LYS A 34 -5.667 -6.008 -8.039 1.00 0.00 N ATOM 192 CA LYS A 34 -7.079 -6.407 -7.907 1.00 0.00 C ATOM 193 C LYS A 34 -7.979 -5.336 -8.556 1.00 0.00 C ATOM 194 O LYS A 34 -8.582 -5.567 -9.611 1.00 0.00 O ATOM 195 CB LYS A 34 -7.490 -6.615 -6.412 1.00 0.00 C ATOM 196 CG LYS A 34 -6.803 -7.794 -5.678 1.00 0.00 C ATOM 197 CD LYS A 34 -5.383 -7.474 -5.151 1.00 0.00 C ATOM 198 CE LYS A 34 -4.810 -8.613 -4.288 1.00 0.00 C ATOM 199 NZ LYS A 34 -5.775 -9.074 -3.249 1.00 0.00 N ATOM 0 H LYS A 34 -5.297 -5.521 -7.223 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.208 -7.361 -8.418 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.274 -5.697 -5.865 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.569 -6.765 -6.370 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.429 -8.099 -4.840 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.743 -8.644 -6.357 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.718 -7.290 -5.995 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.414 -6.556 -4.564 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.541 -9.452 -4.929 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.893 -8.275 -3.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.266 -9.263 -2.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.490 -8.336 -3.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.243 -9.945 -3.572 1.00 0.00 H new ATOM 213 N GLU A 35 -8.016 -4.144 -7.937 1.00 0.00 N ATOM 214 CA GLU A 35 -8.970 -3.072 -8.297 1.00 0.00 C ATOM 215 C GLU A 35 -8.489 -1.721 -7.732 1.00 0.00 C ATOM 216 O GLU A 35 -7.334 -1.589 -7.326 1.00 0.00 O ATOM 217 CB GLU A 35 -10.393 -3.438 -7.768 1.00 0.00 C ATOM 218 CG GLU A 35 -10.511 -3.573 -6.232 1.00 0.00 C ATOM 219 CD GLU A 35 -11.902 -4.062 -5.790 1.00 0.00 C ATOM 220 OE1 GLU A 35 -12.880 -3.306 -5.924 1.00 0.00 O ATOM 221 OE2 GLU A 35 -12.028 -5.212 -5.323 1.00 0.00 O ATOM 0 H GLU A 35 -7.388 -3.893 -7.174 1.00 0.00 H new ATOM 0 HA GLU A 35 -9.022 -2.978 -9.382 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -11.095 -2.675 -8.104 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.702 -4.379 -8.224 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.753 -4.269 -5.872 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -10.304 -2.608 -5.768 1.00 0.00 H new ATOM 228 N LYS A 36 -9.366 -0.709 -7.740 1.00 0.00 N ATOM 229 CA LYS A 36 -9.090 0.589 -7.104 1.00 0.00 C ATOM 230 C LYS A 36 -9.864 0.667 -5.769 1.00 0.00 C ATOM 231 O LYS A 36 -11.074 0.409 -5.721 1.00 0.00 O ATOM 232 CB LYS A 36 -9.449 1.762 -8.068 1.00 0.00 C ATOM 233 CG LYS A 36 -10.928 1.826 -8.512 1.00 0.00 C ATOM 234 CD LYS A 36 -11.192 2.883 -9.617 1.00 0.00 C ATOM 235 CE LYS A 36 -10.837 4.319 -9.192 1.00 0.00 C ATOM 236 NZ LYS A 36 -11.682 4.792 -8.064 1.00 0.00 N ATOM 0 H LYS A 36 -10.282 -0.764 -8.184 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.026 0.681 -6.888 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.193 2.702 -7.580 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.823 1.684 -8.957 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.233 0.845 -8.877 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -11.551 2.052 -7.646 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.614 2.622 -10.504 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.244 2.846 -9.900 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.787 4.362 -8.901 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.960 4.989 -10.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.421 5.769 -7.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -12.683 4.760 -8.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.533 4.178 -7.238 1.00 0.00 H new ATOM 250 N GLU A 37 -9.142 0.965 -4.679 1.00 0.00 N ATOM 251 CA GLU A 37 -9.723 1.079 -3.323 1.00 0.00 C ATOM 252 C GLU A 37 -9.388 2.474 -2.778 1.00 0.00 C ATOM 253 O GLU A 37 -8.245 2.932 -2.891 1.00 0.00 O ATOM 254 CB GLU A 37 -9.165 -0.050 -2.384 1.00 0.00 C ATOM 255 CG GLU A 37 -10.156 -0.625 -1.340 1.00 0.00 C ATOM 256 CD GLU A 37 -10.739 0.419 -0.367 1.00 0.00 C ATOM 257 OE1 GLU A 37 -10.020 0.868 0.542 1.00 0.00 O ATOM 258 OE2 GLU A 37 -11.924 0.795 -0.511 1.00 0.00 O ATOM 0 H GLU A 37 -8.137 1.135 -4.707 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.805 0.952 -3.364 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.811 -0.870 -3.008 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.298 0.344 -1.853 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.978 -1.110 -1.867 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.648 -1.397 -0.762 1.00 0.00 H new ATOM 265 N GLU A 38 -10.397 3.141 -2.208 1.00 0.00 N ATOM 266 CA GLU A 38 -10.264 4.502 -1.685 1.00 0.00 C ATOM 267 C GLU A 38 -10.263 4.468 -0.153 1.00 0.00 C ATOM 268 O GLU A 38 -11.243 4.041 0.475 1.00 0.00 O ATOM 269 CB GLU A 38 -11.394 5.420 -2.206 1.00 0.00 C ATOM 270 CG GLU A 38 -11.253 6.883 -1.741 1.00 0.00 C ATOM 271 CD GLU A 38 -12.366 7.780 -2.264 1.00 0.00 C ATOM 272 OE1 GLU A 38 -13.458 7.784 -1.668 1.00 0.00 O ATOM 273 OE2 GLU A 38 -12.167 8.477 -3.277 1.00 0.00 O ATOM 0 H GLU A 38 -11.332 2.749 -2.097 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.318 4.914 -2.037 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -11.403 5.391 -3.296 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -12.354 5.030 -1.869 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -11.250 6.914 -0.651 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.291 7.274 -2.074 1.00 0.00 H new ATOM 280 N PHE A 39 -9.149 4.917 0.413 1.00 0.00 N ATOM 281 CA PHE A 39 -8.909 4.989 1.853 1.00 0.00 C ATOM 282 C PHE A 39 -9.208 6.405 2.369 1.00 0.00 C ATOM 283 O PHE A 39 -9.304 7.355 1.588 1.00 0.00 O ATOM 284 CB PHE A 39 -7.444 4.593 2.143 1.00 0.00 C ATOM 285 CG PHE A 39 -7.090 3.210 1.600 1.00 0.00 C ATOM 286 CD1 PHE A 39 -6.697 3.037 0.270 1.00 0.00 C ATOM 287 CD2 PHE A 39 -7.195 2.086 2.403 1.00 0.00 C ATOM 288 CE1 PHE A 39 -6.416 1.783 -0.227 1.00 0.00 C ATOM 289 CE2 PHE A 39 -6.916 0.839 1.900 1.00 0.00 C ATOM 290 CZ PHE A 39 -6.527 0.684 0.585 1.00 0.00 C ATOM 0 H PHE A 39 -8.358 5.254 -0.136 1.00 0.00 H new ATOM 0 HA PHE A 39 -9.572 4.296 2.372 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -6.777 5.334 1.702 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -7.273 4.611 3.219 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -6.612 3.898 -0.377 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -7.499 2.191 3.434 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -6.108 1.666 -1.256 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.002 -0.028 2.539 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.311 -0.300 0.197 1.00 0.00 H new ATOM 300 N ALA A 40 -9.369 6.530 3.690 1.00 0.00 N ATOM 301 CA ALA A 40 -9.638 7.807 4.355 1.00 0.00 C ATOM 302 C ALA A 40 -8.604 8.011 5.471 1.00 0.00 C ATOM 303 O ALA A 40 -8.608 7.288 6.476 1.00 0.00 O ATOM 304 CB ALA A 40 -11.071 7.815 4.893 1.00 0.00 C ATOM 0 H ALA A 40 -9.316 5.740 4.333 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.549 8.634 3.651 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -11.269 8.766 5.387 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -11.770 7.683 4.067 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -11.196 7.002 5.608 1.00 0.00 H new ATOM 310 N VAL A 41 -7.705 8.980 5.263 1.00 0.00 N ATOM 311 CA VAL A 41 -6.574 9.265 6.169 1.00 0.00 C ATOM 312 C VAL A 41 -6.539 10.778 6.464 1.00 0.00 C ATOM 313 O VAL A 41 -6.788 11.570 5.565 1.00 0.00 O ATOM 314 CB VAL A 41 -5.198 8.783 5.551 1.00 0.00 C ATOM 315 CG1 VAL A 41 -5.134 7.242 5.439 1.00 0.00 C ATOM 316 CG2 VAL A 41 -4.930 9.431 4.173 1.00 0.00 C ATOM 0 H VAL A 41 -7.738 9.599 4.453 1.00 0.00 H new ATOM 0 HA VAL A 41 -6.718 8.712 7.097 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.416 9.109 6.236 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.176 6.948 5.011 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.240 6.800 6.430 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.942 6.890 4.797 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.977 9.075 3.783 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.729 9.161 3.482 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.895 10.515 4.281 1.00 0.00 H new ATOM 326 N PRO A 42 -6.260 11.224 7.729 1.00 0.00 N ATOM 327 CA PRO A 42 -6.351 12.664 8.116 1.00 0.00 C ATOM 328 C PRO A 42 -5.097 13.497 7.728 1.00 0.00 C ATOM 329 O PRO A 42 -4.737 14.446 8.433 1.00 0.00 O ATOM 330 CB PRO A 42 -6.531 12.558 9.646 1.00 0.00 C ATOM 331 CG PRO A 42 -5.701 11.372 10.027 1.00 0.00 C ATOM 332 CD PRO A 42 -5.865 10.378 8.890 1.00 0.00 C ATOM 0 HA PRO A 42 -7.152 13.194 7.601 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -6.191 13.462 10.151 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -7.577 12.416 9.916 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -4.655 11.651 10.157 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -6.037 10.946 10.972 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.938 9.838 8.694 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -6.626 9.632 9.118 1.00 0.00 H new ATOM 340 N GLU A 43 -4.468 13.134 6.581 1.00 0.00 N ATOM 341 CA GLU A 43 -3.209 13.753 6.045 1.00 0.00 C ATOM 342 C GLU A 43 -2.005 13.638 7.011 1.00 0.00 C ATOM 343 O GLU A 43 -0.930 14.173 6.728 1.00 0.00 O ATOM 344 CB GLU A 43 -3.451 15.239 5.636 1.00 0.00 C ATOM 345 CG GLU A 43 -4.508 15.415 4.538 1.00 0.00 C ATOM 346 CD GLU A 43 -4.894 16.873 4.295 1.00 0.00 C ATOM 347 OE1 GLU A 43 -5.606 17.441 5.148 1.00 0.00 O ATOM 348 OE2 GLU A 43 -4.503 17.461 3.262 1.00 0.00 O ATOM 0 H GLU A 43 -4.823 12.387 5.983 1.00 0.00 H new ATOM 0 HA GLU A 43 -2.943 13.178 5.158 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.758 15.803 6.517 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.510 15.670 5.294 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.131 14.987 3.609 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.400 14.851 4.809 1.00 0.00 H new ATOM 355 N ASN A 44 -2.176 12.902 8.123 1.00 0.00 N ATOM 356 CA ASN A 44 -1.159 12.769 9.185 1.00 0.00 C ATOM 357 C ASN A 44 -0.638 11.328 9.217 1.00 0.00 C ATOM 358 O ASN A 44 0.464 11.066 9.718 1.00 0.00 O ATOM 359 CB ASN A 44 -1.759 13.189 10.552 1.00 0.00 C ATOM 360 CG ASN A 44 -0.745 13.180 11.704 1.00 0.00 C ATOM 361 OD1 ASN A 44 -0.629 12.199 12.441 1.00 0.00 O ATOM 362 ND2 ASN A 44 0.028 14.250 11.834 1.00 0.00 N ATOM 0 H ASN A 44 -3.030 12.378 8.313 1.00 0.00 H new ATOM 0 HA ASN A 44 -0.318 13.431 8.976 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.182 14.190 10.460 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.581 12.517 10.799 1.00 0.00 H new ATOM 0 HD21 ASN A 44 0.744 14.277 12.560 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.093 15.046 11.208 1.00 0.00 H new ATOM 369 N SER A 45 -1.447 10.402 8.657 1.00 0.00 N ATOM 370 CA SER A 45 -1.052 9.015 8.439 1.00 0.00 C ATOM 371 C SER A 45 0.160 8.960 7.493 1.00 0.00 C ATOM 372 O SER A 45 0.140 9.552 6.411 1.00 0.00 O ATOM 373 CB SER A 45 -2.234 8.200 7.860 1.00 0.00 C ATOM 374 OG SER A 45 -3.372 8.254 8.710 1.00 0.00 O ATOM 0 H SER A 45 -2.396 10.609 8.346 1.00 0.00 H new ATOM 0 HA SER A 45 -0.771 8.572 9.395 1.00 0.00 H new ATOM 0 HB2 SER A 45 -2.496 8.587 6.875 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.929 7.162 7.724 1.00 0.00 H new ATOM 0 HG SER A 45 -4.101 7.731 8.315 1.00 0.00 H new ATOM 380 N SER A 46 1.223 8.316 7.956 1.00 0.00 N ATOM 381 CA SER A 46 2.413 8.043 7.153 1.00 0.00 C ATOM 382 C SER A 46 2.182 6.778 6.318 1.00 0.00 C ATOM 383 O SER A 46 1.141 6.131 6.457 1.00 0.00 O ATOM 384 CB SER A 46 3.632 7.883 8.080 1.00 0.00 C ATOM 385 OG SER A 46 3.710 8.946 9.016 1.00 0.00 O ATOM 0 H SER A 46 1.286 7.963 8.911 1.00 0.00 H new ATOM 0 HA SER A 46 2.607 8.873 6.474 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.566 6.933 8.610 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.544 7.853 7.484 1.00 0.00 H new ATOM 0 HG SER A 46 4.492 8.818 9.592 1.00 0.00 H new ATOM 391 N VAL A 47 3.155 6.421 5.466 1.00 0.00 N ATOM 392 CA VAL A 47 3.101 5.176 4.678 1.00 0.00 C ATOM 393 C VAL A 47 3.074 3.949 5.623 1.00 0.00 C ATOM 394 O VAL A 47 2.343 2.995 5.363 1.00 0.00 O ATOM 395 CB VAL A 47 4.293 5.092 3.655 1.00 0.00 C ATOM 396 CG1 VAL A 47 4.319 3.741 2.896 1.00 0.00 C ATOM 397 CG2 VAL A 47 4.248 6.287 2.662 1.00 0.00 C ATOM 0 H VAL A 47 3.993 6.979 5.303 1.00 0.00 H new ATOM 0 HA VAL A 47 2.181 5.177 4.093 1.00 0.00 H new ATOM 0 HB VAL A 47 5.218 5.151 4.229 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.159 3.730 2.201 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.428 2.925 3.610 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.388 3.617 2.342 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.081 6.211 1.963 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.308 6.267 2.111 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.324 7.223 3.215 1.00 0.00 H new ATOM 407 N GLN A 48 3.819 4.041 6.759 1.00 0.00 N ATOM 408 CA GLN A 48 3.858 2.990 7.816 1.00 0.00 C ATOM 409 C GLN A 48 2.464 2.674 8.395 1.00 0.00 C ATOM 410 O GLN A 48 2.218 1.563 8.874 1.00 0.00 O ATOM 411 CB GLN A 48 4.880 3.352 8.950 1.00 0.00 C ATOM 412 CG GLN A 48 4.723 4.733 9.653 1.00 0.00 C ATOM 413 CD GLN A 48 3.568 4.851 10.669 1.00 0.00 C ATOM 414 OE1 GLN A 48 3.166 3.875 11.288 1.00 0.00 O ATOM 415 NE2 GLN A 48 3.060 6.056 10.877 1.00 0.00 N ATOM 0 H GLN A 48 4.410 4.846 6.968 1.00 0.00 H new ATOM 0 HA GLN A 48 4.206 2.078 7.330 1.00 0.00 H new ATOM 0 HB2 GLN A 48 4.820 2.578 9.715 1.00 0.00 H new ATOM 0 HB3 GLN A 48 5.883 3.304 8.525 1.00 0.00 H new ATOM 0 HG2 GLN A 48 5.656 4.965 10.166 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.584 5.495 8.886 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.411 6.855 10.349 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.318 6.185 11.565 1.00 0.00 H new ATOM 424 N GLN A 49 1.572 3.670 8.368 1.00 0.00 N ATOM 425 CA GLN A 49 0.189 3.531 8.853 1.00 0.00 C ATOM 426 C GLN A 49 -0.755 3.148 7.694 1.00 0.00 C ATOM 427 O GLN A 49 -1.661 2.320 7.850 1.00 0.00 O ATOM 428 CB GLN A 49 -0.265 4.876 9.502 1.00 0.00 C ATOM 429 CG GLN A 49 -1.659 4.842 10.175 1.00 0.00 C ATOM 430 CD GLN A 49 -1.695 4.080 11.511 1.00 0.00 C ATOM 431 OE1 GLN A 49 -0.895 3.178 11.773 1.00 0.00 O ATOM 432 NE2 GLN A 49 -2.658 4.406 12.352 1.00 0.00 N ATOM 0 H GLN A 49 1.787 4.600 8.008 1.00 0.00 H new ATOM 0 HA GLN A 49 0.148 2.737 9.599 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.474 5.170 10.247 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.268 5.649 8.734 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.994 5.865 10.344 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.371 4.383 9.488 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.309 5.155 12.116 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.751 3.909 13.238 1.00 0.00 H new ATOM 441 N PHE A 50 -0.489 3.752 6.524 1.00 0.00 N ATOM 442 CA PHE A 50 -1.379 3.716 5.349 1.00 0.00 C ATOM 443 C PHE A 50 -1.459 2.311 4.719 1.00 0.00 C ATOM 444 O PHE A 50 -2.553 1.827 4.392 1.00 0.00 O ATOM 445 CB PHE A 50 -0.883 4.763 4.309 1.00 0.00 C ATOM 446 CG PHE A 50 -1.757 4.908 3.062 1.00 0.00 C ATOM 447 CD1 PHE A 50 -3.099 5.257 3.177 1.00 0.00 C ATOM 448 CD2 PHE A 50 -1.236 4.710 1.786 1.00 0.00 C ATOM 449 CE1 PHE A 50 -3.892 5.402 2.060 1.00 0.00 C ATOM 450 CE2 PHE A 50 -2.032 4.855 0.667 1.00 0.00 C ATOM 451 CZ PHE A 50 -3.360 5.199 0.808 1.00 0.00 C ATOM 0 H PHE A 50 0.364 4.288 6.364 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.389 3.965 5.674 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.814 5.734 4.800 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.125 4.491 3.997 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.525 5.417 4.156 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.197 4.440 1.670 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.931 5.675 2.167 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.615 4.699 -0.317 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.984 5.309 -0.067 1.00 0.00 H new ATOM 461 N LYS A 51 -0.285 1.656 4.569 1.00 0.00 N ATOM 462 CA LYS A 51 -0.191 0.335 3.900 1.00 0.00 C ATOM 463 C LYS A 51 -0.833 -0.778 4.755 1.00 0.00 C ATOM 464 O LYS A 51 -1.134 -1.854 4.246 1.00 0.00 O ATOM 465 CB LYS A 51 1.284 -0.019 3.490 1.00 0.00 C ATOM 466 CG LYS A 51 2.146 -0.805 4.517 1.00 0.00 C ATOM 467 CD LYS A 51 2.401 -0.049 5.840 1.00 0.00 C ATOM 468 CE LYS A 51 3.357 -0.797 6.777 1.00 0.00 C ATOM 469 NZ LYS A 51 4.670 -1.070 6.135 1.00 0.00 N ATOM 0 H LYS A 51 0.609 2.018 4.901 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.762 0.405 2.974 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.247 -0.600 2.568 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.802 0.912 3.259 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.652 -1.750 4.741 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.105 -1.047 4.059 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.814 0.935 5.617 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.451 0.112 6.350 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.512 -0.209 7.681 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.901 -1.738 7.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.820 -2.097 6.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.681 -0.661 5.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.430 -0.643 6.703 1.00 0.00 H new ATOM 483 N GLU A 52 -1.031 -0.511 6.059 1.00 0.00 N ATOM 484 CA GLU A 52 -1.709 -1.452 6.970 1.00 0.00 C ATOM 485 C GLU A 52 -3.215 -1.521 6.672 1.00 0.00 C ATOM 486 O GLU A 52 -3.839 -2.580 6.809 1.00 0.00 O ATOM 487 CB GLU A 52 -1.452 -1.078 8.446 1.00 0.00 C ATOM 488 CG GLU A 52 0.049 -1.053 8.840 1.00 0.00 C ATOM 489 CD GLU A 52 0.306 -1.599 10.254 1.00 0.00 C ATOM 490 OE1 GLU A 52 0.176 -0.839 11.231 1.00 0.00 O ATOM 491 OE2 GLU A 52 0.604 -2.806 10.393 1.00 0.00 O ATOM 0 H GLU A 52 -0.729 0.354 6.508 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.289 -2.443 6.799 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.885 -0.097 8.642 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -1.973 -1.790 9.086 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.618 -1.641 8.120 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.418 -0.029 8.779 1.00 0.00 H new ATOM 498 N GLU A 53 -3.781 -0.382 6.254 1.00 0.00 N ATOM 499 CA GLU A 53 -5.178 -0.301 5.786 1.00 0.00 C ATOM 500 C GLU A 53 -5.319 -1.008 4.435 1.00 0.00 C ATOM 501 O GLU A 53 -6.311 -1.687 4.179 1.00 0.00 O ATOM 502 CB GLU A 53 -5.632 1.182 5.710 1.00 0.00 C ATOM 503 CG GLU A 53 -5.463 1.967 7.030 1.00 0.00 C ATOM 504 CD GLU A 53 -6.265 1.373 8.212 1.00 0.00 C ATOM 505 OE1 GLU A 53 -5.813 0.379 8.823 1.00 0.00 O ATOM 506 OE2 GLU A 53 -7.340 1.902 8.548 1.00 0.00 O ATOM 0 H GLU A 53 -3.288 0.510 6.229 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.829 -0.809 6.497 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.064 1.684 4.927 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.680 1.214 5.413 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.406 1.992 7.295 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.776 2.999 6.872 1.00 0.00 H new ATOM 513 N ILE A 54 -4.294 -0.847 3.587 1.00 0.00 N ATOM 514 CA ILE A 54 -4.189 -1.551 2.295 1.00 0.00 C ATOM 515 C ILE A 54 -4.105 -3.086 2.517 1.00 0.00 C ATOM 516 O ILE A 54 -4.695 -3.870 1.764 1.00 0.00 O ATOM 517 CB ILE A 54 -2.925 -1.039 1.500 1.00 0.00 C ATOM 518 CG1 ILE A 54 -3.001 0.505 1.243 1.00 0.00 C ATOM 519 CG2 ILE A 54 -2.729 -1.801 0.178 1.00 0.00 C ATOM 520 CD1 ILE A 54 -1.823 1.095 0.481 1.00 0.00 C ATOM 0 H ILE A 54 -3.510 -0.223 3.776 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.082 -1.338 1.708 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.055 -1.239 2.126 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.915 0.720 0.690 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.083 1.013 2.204 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.848 -1.417 -0.336 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.593 -2.862 0.386 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.607 -1.665 -0.454 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.972 2.167 0.355 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.904 0.919 1.039 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.749 0.622 -0.498 1.00 0.00 H new ATOM 532 N SER A 55 -3.398 -3.483 3.587 1.00 0.00 N ATOM 533 CA SER A 55 -3.101 -4.893 3.899 1.00 0.00 C ATOM 534 C SER A 55 -4.382 -5.713 4.130 1.00 0.00 C ATOM 535 O SER A 55 -4.532 -6.800 3.573 1.00 0.00 O ATOM 536 CB SER A 55 -2.165 -4.962 5.126 1.00 0.00 C ATOM 537 OG SER A 55 -1.681 -6.274 5.357 1.00 0.00 O ATOM 0 H SER A 55 -3.012 -2.829 4.268 1.00 0.00 H new ATOM 0 HA SER A 55 -2.599 -5.337 3.040 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.322 -4.287 4.977 1.00 0.00 H new ATOM 0 HB3 SER A 55 -2.700 -4.613 6.009 1.00 0.00 H new ATOM 0 HG SER A 55 -1.435 -6.687 4.503 1.00 0.00 H new ATOM 543 N LYS A 56 -5.304 -5.160 4.935 1.00 0.00 N ATOM 544 CA LYS A 56 -6.593 -5.817 5.257 1.00 0.00 C ATOM 545 C LYS A 56 -7.550 -5.819 4.049 1.00 0.00 C ATOM 546 O LYS A 56 -8.371 -6.732 3.916 1.00 0.00 O ATOM 547 CB LYS A 56 -7.257 -5.145 6.495 1.00 0.00 C ATOM 548 CG LYS A 56 -7.467 -3.618 6.368 1.00 0.00 C ATOM 549 CD LYS A 56 -8.058 -2.958 7.640 1.00 0.00 C ATOM 550 CE LYS A 56 -7.206 -3.199 8.904 1.00 0.00 C ATOM 551 NZ LYS A 56 -5.805 -2.707 8.767 1.00 0.00 N ATOM 0 H LYS A 56 -5.184 -4.251 5.381 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.381 -6.858 5.503 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.223 -5.617 6.673 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -6.640 -5.341 7.372 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.511 -3.148 6.137 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.131 -3.421 5.526 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -8.153 -1.885 7.473 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -9.063 -3.345 7.808 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -7.677 -2.704 9.753 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -7.190 -4.266 9.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.243 -3.030 9.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.390 -3.080 7.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -5.804 -1.667 8.736 1.00 0.00 H new ATOM 565 N ARG A 57 -7.424 -4.811 3.161 1.00 0.00 N ATOM 566 CA ARG A 57 -8.266 -4.715 1.952 1.00 0.00 C ATOM 567 C ARG A 57 -7.901 -5.804 0.936 1.00 0.00 C ATOM 568 O ARG A 57 -8.782 -6.371 0.289 1.00 0.00 O ATOM 569 CB ARG A 57 -8.130 -3.336 1.261 1.00 0.00 C ATOM 570 CG ARG A 57 -8.611 -2.139 2.085 1.00 0.00 C ATOM 571 CD ARG A 57 -10.089 -2.214 2.493 1.00 0.00 C ATOM 572 NE ARG A 57 -10.560 -0.913 3.004 1.00 0.00 N ATOM 573 CZ ARG A 57 -11.040 -0.671 4.229 1.00 0.00 C ATOM 574 NH1 ARG A 57 -11.088 -1.622 5.152 1.00 0.00 N ATOM 575 NH2 ARG A 57 -11.463 0.544 4.526 1.00 0.00 N ATOM 0 H ARG A 57 -6.748 -4.053 3.259 1.00 0.00 H new ATOM 0 HA ARG A 57 -9.295 -4.848 2.285 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.083 -3.180 1.002 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.690 -3.360 0.326 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.000 -2.061 2.984 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.449 -1.227 1.510 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.692 -2.513 1.636 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.221 -2.979 3.258 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.515 -0.122 2.362 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.755 -2.561 4.934 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.458 -1.414 6.079 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.421 1.284 3.825 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -11.831 0.743 5.456 1.00 0.00 H new ATOM 589 N PHE A 58 -6.588 -6.071 0.784 1.00 0.00 N ATOM 590 CA PHE A 58 -6.074 -6.964 -0.274 1.00 0.00 C ATOM 591 C PHE A 58 -5.519 -8.281 0.284 1.00 0.00 C ATOM 592 O PHE A 58 -5.028 -9.118 -0.494 1.00 0.00 O ATOM 593 CB PHE A 58 -5.050 -6.188 -1.142 1.00 0.00 C ATOM 594 CG PHE A 58 -5.692 -4.944 -1.758 1.00 0.00 C ATOM 595 CD1 PHE A 58 -6.654 -5.065 -2.760 1.00 0.00 C ATOM 596 CD2 PHE A 58 -5.394 -3.670 -1.287 1.00 0.00 C ATOM 597 CE1 PHE A 58 -7.288 -3.955 -3.272 1.00 0.00 C ATOM 598 CE2 PHE A 58 -6.022 -2.556 -1.805 1.00 0.00 C ATOM 599 CZ PHE A 58 -6.971 -2.704 -2.797 1.00 0.00 C ATOM 0 H PHE A 58 -5.862 -5.679 1.383 1.00 0.00 H new ATOM 0 HA PHE A 58 -6.903 -7.267 -0.914 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.195 -5.897 -0.531 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.671 -6.836 -1.932 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -6.906 -6.044 -3.140 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -4.660 -3.551 -0.504 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -8.033 -4.067 -4.046 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.772 -1.572 -1.436 1.00 0.00 H new ATOM 0 HZ PHE A 58 -7.466 -1.834 -3.202 1.00 0.00 H new ATOM 609 N LYS A 59 -5.632 -8.467 1.625 1.00 0.00 N ATOM 610 CA LYS A 59 -5.250 -9.718 2.335 1.00 0.00 C ATOM 611 C LYS A 59 -3.795 -10.139 2.029 1.00 0.00 C ATOM 612 O LYS A 59 -3.446 -11.324 2.073 1.00 0.00 O ATOM 613 CB LYS A 59 -6.287 -10.846 2.030 1.00 0.00 C ATOM 614 CG LYS A 59 -7.701 -10.632 2.670 1.00 0.00 C ATOM 615 CD LYS A 59 -8.874 -10.756 1.660 1.00 0.00 C ATOM 616 CE LYS A 59 -8.935 -9.584 0.670 1.00 0.00 C ATOM 617 NZ LYS A 59 -10.081 -9.696 -0.276 1.00 0.00 N ATOM 0 H LYS A 59 -5.994 -7.747 2.250 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.276 -9.528 3.408 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.402 -10.931 0.949 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.884 -11.795 2.383 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.842 -11.362 3.467 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -7.735 -9.645 3.131 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -8.772 -11.689 1.105 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -9.815 -10.812 2.208 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -9.015 -8.649 1.224 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -8.004 -9.541 0.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -10.342 -8.749 -0.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.808 -10.293 -1.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -10.893 -10.124 0.212 1.00 0.00 H new ATOM 631 N SER A 60 -2.951 -9.134 1.765 1.00 0.00 N ATOM 632 CA SER A 60 -1.524 -9.307 1.486 1.00 0.00 C ATOM 633 C SER A 60 -0.754 -8.470 2.512 1.00 0.00 C ATOM 634 O SER A 60 -1.014 -7.269 2.622 1.00 0.00 O ATOM 635 CB SER A 60 -1.219 -8.860 0.041 1.00 0.00 C ATOM 636 OG SER A 60 -2.022 -9.570 -0.893 1.00 0.00 O ATOM 0 H SER A 60 -3.249 -8.159 1.739 1.00 0.00 H new ATOM 0 HA SER A 60 -1.224 -10.352 1.569 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.400 -7.790 -0.058 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.165 -9.027 -0.180 1.00 0.00 H new ATOM 0 HG SER A 60 -2.964 -9.339 -0.756 1.00 0.00 H new ATOM 642 N HIS A 61 0.172 -9.114 3.263 1.00 0.00 N ATOM 643 CA HIS A 61 0.859 -8.501 4.428 1.00 0.00 C ATOM 644 C HIS A 61 1.600 -7.194 4.066 1.00 0.00 C ATOM 645 O HIS A 61 1.965 -6.972 2.913 1.00 0.00 O ATOM 646 CB HIS A 61 1.839 -9.510 5.080 1.00 0.00 C ATOM 647 CG HIS A 61 1.187 -10.729 5.681 1.00 0.00 C ATOM 648 ND1 HIS A 61 1.521 -12.018 5.330 1.00 0.00 N ATOM 649 CD2 HIS A 61 0.246 -10.847 6.648 1.00 0.00 C ATOM 650 CE1 HIS A 61 0.821 -12.865 6.047 1.00 0.00 C ATOM 651 NE2 HIS A 61 0.039 -12.185 6.856 1.00 0.00 N ATOM 0 H HIS A 61 0.464 -10.074 3.079 1.00 0.00 H new ATOM 0 HA HIS A 61 0.081 -8.240 5.145 1.00 0.00 H new ATOM 0 HB2 HIS A 61 2.558 -9.834 4.328 1.00 0.00 H new ATOM 0 HB3 HIS A 61 2.402 -8.996 5.859 1.00 0.00 H new ATOM 0 HD1 HIS A 61 2.208 -12.275 4.621 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -0.250 -10.036 7.161 1.00 0.00 H new ATOM 0 HE1 HIS A 61 0.878 -13.942 5.983 1.00 0.00 H new ATOM 660 N THR A 62 1.831 -6.368 5.092 1.00 0.00 N ATOM 661 CA THR A 62 2.378 -5.003 4.966 1.00 0.00 C ATOM 662 C THR A 62 3.793 -4.972 4.343 1.00 0.00 C ATOM 663 O THR A 62 4.152 -4.016 3.645 1.00 0.00 O ATOM 664 CB THR A 62 2.402 -4.333 6.371 1.00 0.00 C ATOM 665 OG1 THR A 62 3.123 -5.164 7.298 1.00 0.00 O ATOM 666 CG2 THR A 62 0.987 -4.070 6.912 1.00 0.00 C ATOM 0 H THR A 62 1.640 -6.632 6.059 1.00 0.00 H new ATOM 0 HA THR A 62 1.728 -4.452 4.287 1.00 0.00 H new ATOM 0 HB THR A 62 2.902 -3.370 6.263 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.136 -4.736 8.179 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.054 -3.602 7.894 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.454 -3.408 6.230 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.448 -5.014 6.996 1.00 0.00 H new ATOM 674 N ASP A 63 4.574 -6.025 4.626 1.00 0.00 N ATOM 675 CA ASP A 63 5.927 -6.224 4.063 1.00 0.00 C ATOM 676 C ASP A 63 5.854 -6.478 2.544 1.00 0.00 C ATOM 677 O ASP A 63 6.700 -6.012 1.780 1.00 0.00 O ATOM 678 CB ASP A 63 6.594 -7.424 4.783 1.00 0.00 C ATOM 679 CG ASP A 63 7.999 -7.784 4.267 1.00 0.00 C ATOM 680 OD1 ASP A 63 8.989 -7.220 4.775 1.00 0.00 O ATOM 681 OD2 ASP A 63 8.122 -8.640 3.364 1.00 0.00 O ATOM 0 H ASP A 63 4.286 -6.772 5.258 1.00 0.00 H new ATOM 0 HA ASP A 63 6.522 -5.324 4.220 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.659 -7.201 5.848 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.949 -8.297 4.679 1.00 0.00 H new ATOM 686 N GLN A 64 4.812 -7.215 2.135 1.00 0.00 N ATOM 687 CA GLN A 64 4.581 -7.616 0.729 1.00 0.00 C ATOM 688 C GLN A 64 4.144 -6.419 -0.140 1.00 0.00 C ATOM 689 O GLN A 64 4.297 -6.436 -1.365 1.00 0.00 O ATOM 690 CB GLN A 64 3.505 -8.730 0.713 1.00 0.00 C ATOM 691 CG GLN A 64 3.904 -9.987 1.523 1.00 0.00 C ATOM 692 CD GLN A 64 2.766 -10.985 1.795 1.00 0.00 C ATOM 693 OE1 GLN A 64 2.821 -11.733 2.763 1.00 0.00 O ATOM 694 NE2 GLN A 64 1.702 -10.969 1.004 1.00 0.00 N ATOM 0 H GLN A 64 4.094 -7.556 2.774 1.00 0.00 H new ATOM 0 HA GLN A 64 5.513 -7.988 0.303 1.00 0.00 H new ATOM 0 HB2 GLN A 64 2.574 -8.330 1.114 1.00 0.00 H new ATOM 0 HB3 GLN A 64 3.309 -9.020 -0.319 1.00 0.00 H new ATOM 0 HG2 GLN A 64 4.699 -10.506 0.988 1.00 0.00 H new ATOM 0 HG3 GLN A 64 4.319 -9.666 2.478 1.00 0.00 H new ATOM 0 HE21 GLN A 64 1.672 -10.340 0.202 1.00 0.00 H new ATOM 0 HE22 GLN A 64 0.913 -11.586 1.198 1.00 0.00 H new ATOM 703 N LEU A 65 3.604 -5.388 0.516 1.00 0.00 N ATOM 704 CA LEU A 65 3.088 -4.182 -0.146 1.00 0.00 C ATOM 705 C LEU A 65 4.202 -3.136 -0.302 1.00 0.00 C ATOM 706 O LEU A 65 4.819 -2.732 0.693 1.00 0.00 O ATOM 707 CB LEU A 65 1.934 -3.591 0.702 1.00 0.00 C ATOM 708 CG LEU A 65 0.771 -4.566 1.039 1.00 0.00 C ATOM 709 CD1 LEU A 65 -0.215 -3.917 2.016 1.00 0.00 C ATOM 710 CD2 LEU A 65 0.056 -5.070 -0.236 1.00 0.00 C ATOM 0 H LEU A 65 3.511 -5.365 1.531 1.00 0.00 H new ATOM 0 HA LEU A 65 2.721 -4.449 -1.137 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.351 -3.217 1.637 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.521 -2.733 0.171 1.00 0.00 H new ATOM 0 HG LEU A 65 1.203 -5.440 1.526 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.021 -4.617 2.238 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.305 -3.657 2.938 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.631 -3.015 1.567 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.750 -5.749 0.043 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.357 -4.221 -0.781 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.770 -5.596 -0.870 1.00 0.00 H new ATOM 722 N VAL A 66 4.468 -2.717 -1.552 1.00 0.00 N ATOM 723 CA VAL A 66 5.340 -1.564 -1.844 1.00 0.00 C ATOM 724 C VAL A 66 4.538 -0.522 -2.663 1.00 0.00 C ATOM 725 O VAL A 66 3.929 -0.847 -3.691 1.00 0.00 O ATOM 726 CB VAL A 66 6.688 -1.969 -2.581 1.00 0.00 C ATOM 727 CG1 VAL A 66 7.544 -2.921 -1.704 1.00 0.00 C ATOM 728 CG2 VAL A 66 6.445 -2.596 -3.980 1.00 0.00 C ATOM 0 H VAL A 66 4.087 -3.165 -2.385 1.00 0.00 H new ATOM 0 HA VAL A 66 5.651 -1.129 -0.894 1.00 0.00 H new ATOM 0 HB VAL A 66 7.239 -1.042 -2.736 1.00 0.00 H new ATOM 0 HG11 VAL A 66 8.460 -3.180 -2.235 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.796 -2.424 -0.767 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.978 -3.828 -1.493 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.402 -2.852 -4.435 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.840 -3.497 -3.875 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.922 -1.880 -4.614 1.00 0.00 H new ATOM 738 N LEU A 67 4.478 0.715 -2.146 1.00 0.00 N ATOM 739 CA LEU A 67 3.833 1.848 -2.832 1.00 0.00 C ATOM 740 C LEU A 67 4.846 2.540 -3.746 1.00 0.00 C ATOM 741 O LEU A 67 6.040 2.552 -3.453 1.00 0.00 O ATOM 742 CB LEU A 67 3.267 2.855 -1.802 1.00 0.00 C ATOM 743 CG LEU A 67 2.060 2.356 -0.950 1.00 0.00 C ATOM 744 CD1 LEU A 67 1.639 3.422 0.085 1.00 0.00 C ATOM 745 CD2 LEU A 67 0.868 1.950 -1.857 1.00 0.00 C ATOM 0 H LEU A 67 4.876 0.959 -1.239 1.00 0.00 H new ATOM 0 HA LEU A 67 3.006 1.472 -3.433 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.071 3.141 -1.124 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.963 3.756 -2.334 1.00 0.00 H new ATOM 0 HG LEU A 67 2.376 1.468 -0.403 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.795 3.051 0.667 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.475 3.632 0.752 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.349 4.336 -0.432 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.040 1.606 -1.237 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.548 2.811 -2.445 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.177 1.148 -2.527 1.00 0.00 H new ATOM 757 N ILE A 68 4.355 3.059 -4.881 1.00 0.00 N ATOM 758 CA ILE A 68 5.150 3.831 -5.847 1.00 0.00 C ATOM 759 C ILE A 68 4.377 5.118 -6.196 1.00 0.00 C ATOM 760 O ILE A 68 3.158 5.080 -6.461 1.00 0.00 O ATOM 761 CB ILE A 68 5.496 3.052 -7.190 1.00 0.00 C ATOM 762 CG1 ILE A 68 6.305 1.727 -6.933 1.00 0.00 C ATOM 763 CG2 ILE A 68 6.283 3.969 -8.179 1.00 0.00 C ATOM 764 CD1 ILE A 68 5.484 0.517 -6.492 1.00 0.00 C ATOM 0 H ILE A 68 3.379 2.952 -5.158 1.00 0.00 H new ATOM 0 HA ILE A 68 6.106 4.040 -5.367 1.00 0.00 H new ATOM 0 HB ILE A 68 4.542 2.772 -7.636 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.837 1.466 -7.848 1.00 0.00 H new ATOM 0 HG13 ILE A 68 7.059 1.927 -6.172 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.508 3.414 -9.090 1.00 0.00 H new ATOM 0 HG22 ILE A 68 5.678 4.841 -8.426 1.00 0.00 H new ATOM 0 HG23 ILE A 68 7.213 4.293 -7.713 1.00 0.00 H new ATOM 0 HD11 ILE A 68 6.145 -0.337 -6.345 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.973 0.746 -5.557 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.748 0.278 -7.259 1.00 0.00 H new ATOM 776 N PHE A 69 5.116 6.233 -6.197 1.00 0.00 N ATOM 777 CA PHE A 69 4.622 7.572 -6.538 1.00 0.00 C ATOM 778 C PHE A 69 5.842 8.509 -6.639 1.00 0.00 C ATOM 779 O PHE A 69 6.854 8.270 -5.962 1.00 0.00 O ATOM 780 CB PHE A 69 3.617 8.079 -5.465 1.00 0.00 C ATOM 781 CG PHE A 69 2.800 9.313 -5.873 1.00 0.00 C ATOM 782 CD1 PHE A 69 3.288 10.610 -5.676 1.00 0.00 C ATOM 783 CD2 PHE A 69 1.529 9.170 -6.432 1.00 0.00 C ATOM 784 CE1 PHE A 69 2.538 11.712 -6.036 1.00 0.00 C ATOM 785 CE2 PHE A 69 0.777 10.279 -6.786 1.00 0.00 C ATOM 786 CZ PHE A 69 1.281 11.549 -6.586 1.00 0.00 C ATOM 0 H PHE A 69 6.106 6.228 -5.953 1.00 0.00 H new ATOM 0 HA PHE A 69 4.088 7.548 -7.488 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.928 7.270 -5.223 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.168 8.312 -4.554 1.00 0.00 H new ATOM 0 HD1 PHE A 69 4.264 10.751 -5.236 1.00 0.00 H new ATOM 0 HD2 PHE A 69 1.126 8.181 -6.591 1.00 0.00 H new ATOM 0 HE1 PHE A 69 2.935 12.705 -5.887 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -0.204 10.150 -7.219 1.00 0.00 H new ATOM 0 HZ PHE A 69 0.694 12.413 -6.859 1.00 0.00 H new ATOM 796 N ALA A 70 5.733 9.553 -7.487 1.00 0.00 N ATOM 797 CA ALA A 70 6.796 10.572 -7.694 1.00 0.00 C ATOM 798 C ALA A 70 8.045 9.966 -8.384 1.00 0.00 C ATOM 799 O ALA A 70 9.138 10.538 -8.323 1.00 0.00 O ATOM 800 CB ALA A 70 7.152 11.289 -6.364 1.00 0.00 C ATOM 0 H ALA A 70 4.901 9.718 -8.054 1.00 0.00 H new ATOM 0 HA ALA A 70 6.402 11.329 -8.372 1.00 0.00 H new ATOM 0 HB1 ALA A 70 7.932 12.028 -6.547 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.266 11.786 -5.970 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.509 10.557 -5.640 1.00 0.00 H new ATOM 806 N GLY A 71 7.844 8.819 -9.069 1.00 0.00 N ATOM 807 CA GLY A 71 8.911 8.100 -9.773 1.00 0.00 C ATOM 808 C GLY A 71 9.829 7.327 -8.835 1.00 0.00 C ATOM 809 O GLY A 71 10.965 7.019 -9.196 1.00 0.00 O ATOM 0 H GLY A 71 6.931 8.370 -9.145 1.00 0.00 H new ATOM 0 HA2 GLY A 71 8.465 7.408 -10.487 1.00 0.00 H new ATOM 0 HA3 GLY A 71 9.504 8.812 -10.347 1.00 0.00 H new ATOM 813 N LYS A 72 9.332 7.027 -7.625 1.00 0.00 N ATOM 814 CA LYS A 72 10.106 6.329 -6.580 1.00 0.00 C ATOM 815 C LYS A 72 9.179 5.503 -5.674 1.00 0.00 C ATOM 816 O LYS A 72 7.964 5.684 -5.683 1.00 0.00 O ATOM 817 CB LYS A 72 10.969 7.362 -5.779 1.00 0.00 C ATOM 818 CG LYS A 72 10.219 8.610 -5.223 1.00 0.00 C ATOM 819 CD LYS A 72 9.499 8.366 -3.872 1.00 0.00 C ATOM 820 CE LYS A 72 10.463 7.976 -2.739 1.00 0.00 C ATOM 821 NZ LYS A 72 11.532 8.979 -2.531 1.00 0.00 N ATOM 0 H LYS A 72 8.381 7.261 -7.341 1.00 0.00 H new ATOM 0 HA LYS A 72 10.791 5.622 -7.047 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.434 6.842 -4.941 1.00 0.00 H new ATOM 0 HB3 LYS A 72 11.775 7.708 -6.426 1.00 0.00 H new ATOM 0 HG2 LYS A 72 10.933 9.425 -5.100 1.00 0.00 H new ATOM 0 HG3 LYS A 72 9.485 8.938 -5.960 1.00 0.00 H new ATOM 0 HD2 LYS A 72 8.958 9.268 -3.587 1.00 0.00 H new ATOM 0 HD3 LYS A 72 8.758 7.577 -3.999 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.900 7.853 -1.814 1.00 0.00 H new ATOM 0 HE3 LYS A 72 10.915 7.011 -2.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 12.103 8.712 -1.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 12.140 9.018 -3.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.105 9.913 -2.369 1.00 0.00 H new ATOM 835 N ILE A 73 9.783 4.595 -4.897 1.00 0.00 N ATOM 836 CA ILE A 73 9.059 3.729 -3.948 1.00 0.00 C ATOM 837 C ILE A 73 8.899 4.446 -2.589 1.00 0.00 C ATOM 838 O ILE A 73 9.867 4.981 -2.034 1.00 0.00 O ATOM 839 CB ILE A 73 9.727 2.299 -3.755 1.00 0.00 C ATOM 840 CG1 ILE A 73 11.170 2.344 -3.117 1.00 0.00 C ATOM 841 CG2 ILE A 73 9.737 1.525 -5.095 1.00 0.00 C ATOM 842 CD1 ILE A 73 12.306 2.857 -3.997 1.00 0.00 C ATOM 0 H ILE A 73 10.791 4.437 -4.906 1.00 0.00 H new ATOM 0 HA ILE A 73 8.077 3.544 -4.383 1.00 0.00 H new ATOM 0 HB ILE A 73 9.107 1.769 -3.032 1.00 0.00 H new ATOM 0 HG12 ILE A 73 11.125 2.969 -2.225 1.00 0.00 H new ATOM 0 HG13 ILE A 73 11.426 1.337 -2.789 1.00 0.00 H new ATOM 0 HG21 ILE A 73 10.197 0.548 -4.947 1.00 0.00 H new ATOM 0 HG22 ILE A 73 8.714 1.395 -5.448 1.00 0.00 H new ATOM 0 HG23 ILE A 73 10.307 2.086 -5.835 1.00 0.00 H new ATOM 0 HD11 ILE A 73 13.240 2.835 -3.435 1.00 0.00 H new ATOM 0 HD12 ILE A 73 12.398 2.223 -4.879 1.00 0.00 H new ATOM 0 HD13 ILE A 73 12.093 3.880 -4.306 1.00 0.00 H new ATOM 854 N LEU A 74 7.657 4.485 -2.088 1.00 0.00 N ATOM 855 CA LEU A 74 7.316 5.118 -0.807 1.00 0.00 C ATOM 856 C LEU A 74 7.663 4.163 0.341 1.00 0.00 C ATOM 857 O LEU A 74 7.219 3.000 0.349 1.00 0.00 O ATOM 858 CB LEU A 74 5.810 5.483 -0.750 1.00 0.00 C ATOM 859 CG LEU A 74 5.234 6.262 -1.973 1.00 0.00 C ATOM 860 CD1 LEU A 74 3.752 6.611 -1.740 1.00 0.00 C ATOM 861 CD2 LEU A 74 6.070 7.520 -2.310 1.00 0.00 C ATOM 0 H LEU A 74 6.854 4.075 -2.565 1.00 0.00 H new ATOM 0 HA LEU A 74 7.892 6.038 -0.710 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.240 4.561 -0.634 1.00 0.00 H new ATOM 0 HB3 LEU A 74 5.637 6.079 0.146 1.00 0.00 H new ATOM 0 HG LEU A 74 5.298 5.607 -2.842 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.366 7.154 -2.603 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.179 5.694 -1.603 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.660 7.233 -0.849 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.631 8.030 -3.168 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.077 8.193 -1.453 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.092 7.225 -2.547 1.00 0.00 H new ATOM 873 N LYS A 75 8.465 4.656 1.290 1.00 0.00 N ATOM 874 CA LYS A 75 8.938 3.867 2.445 1.00 0.00 C ATOM 875 C LYS A 75 8.190 4.298 3.718 1.00 0.00 C ATOM 876 O LYS A 75 7.503 5.320 3.723 1.00 0.00 O ATOM 877 CB LYS A 75 10.474 4.057 2.617 1.00 0.00 C ATOM 878 CG LYS A 75 11.304 3.838 1.326 1.00 0.00 C ATOM 879 CD LYS A 75 11.086 2.440 0.689 1.00 0.00 C ATOM 880 CE LYS A 75 11.545 1.275 1.584 1.00 0.00 C ATOM 881 NZ LYS A 75 13.013 1.268 1.788 1.00 0.00 N ATOM 0 H LYS A 75 8.809 5.616 1.284 1.00 0.00 H new ATOM 0 HA LYS A 75 8.735 2.811 2.269 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.662 5.065 2.987 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.828 3.366 3.382 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.042 4.606 0.599 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.362 3.964 1.556 1.00 0.00 H new ATOM 0 HD2 LYS A 75 10.028 2.316 0.460 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.624 2.394 -0.258 1.00 0.00 H new ATOM 0 HE2 LYS A 75 11.046 1.344 2.551 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.238 0.331 1.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 13.277 0.457 2.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 13.491 1.193 0.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 13.302 2.150 2.257 1.00 0.00 H new ATOM 895 N ASP A 76 8.356 3.516 4.799 1.00 0.00 N ATOM 896 CA ASP A 76 7.705 3.773 6.113 1.00 0.00 C ATOM 897 C ASP A 76 8.071 5.152 6.688 1.00 0.00 C ATOM 898 O ASP A 76 7.245 5.792 7.353 1.00 0.00 O ATOM 899 CB ASP A 76 8.106 2.671 7.118 1.00 0.00 C ATOM 900 CG ASP A 76 7.666 1.277 6.665 1.00 0.00 C ATOM 901 OD1 ASP A 76 6.525 0.874 6.980 1.00 0.00 O ATOM 902 OD2 ASP A 76 8.452 0.582 5.982 1.00 0.00 O ATOM 0 H ASP A 76 8.945 2.684 4.795 1.00 0.00 H new ATOM 0 HA ASP A 76 6.627 3.761 5.949 1.00 0.00 H new ATOM 0 HB2 ASP A 76 9.188 2.682 7.251 1.00 0.00 H new ATOM 0 HB3 ASP A 76 7.663 2.891 8.089 1.00 0.00 H new ATOM 907 N GLN A 77 9.320 5.585 6.422 1.00 0.00 N ATOM 908 CA GLN A 77 9.851 6.913 6.818 1.00 0.00 C ATOM 909 C GLN A 77 9.010 8.072 6.225 1.00 0.00 C ATOM 910 O GLN A 77 8.861 9.129 6.842 1.00 0.00 O ATOM 911 CB GLN A 77 11.324 7.063 6.331 1.00 0.00 C ATOM 912 CG GLN A 77 11.509 6.810 4.811 1.00 0.00 C ATOM 913 CD GLN A 77 12.855 7.237 4.228 1.00 0.00 C ATOM 914 OE1 GLN A 77 13.880 7.231 4.902 1.00 0.00 O ATOM 915 NE2 GLN A 77 12.855 7.593 2.949 1.00 0.00 N ATOM 0 H GLN A 77 10.001 5.016 5.919 1.00 0.00 H new ATOM 0 HA GLN A 77 9.801 6.970 7.905 1.00 0.00 H new ATOM 0 HB2 GLN A 77 11.675 8.067 6.568 1.00 0.00 H new ATOM 0 HB3 GLN A 77 11.953 6.366 6.885 1.00 0.00 H new ATOM 0 HG2 GLN A 77 11.372 5.746 4.619 1.00 0.00 H new ATOM 0 HG3 GLN A 77 10.718 7.335 4.275 1.00 0.00 H new ATOM 0 HE21 GLN A 77 11.984 7.587 2.418 1.00 0.00 H new ATOM 0 HE22 GLN A 77 13.726 7.873 2.498 1.00 0.00 H new ATOM 924 N ASP A 78 8.467 7.831 5.029 1.00 0.00 N ATOM 925 CA ASP A 78 7.722 8.818 4.235 1.00 0.00 C ATOM 926 C ASP A 78 6.249 8.850 4.645 1.00 0.00 C ATOM 927 O ASP A 78 5.744 7.904 5.266 1.00 0.00 O ATOM 928 CB ASP A 78 7.836 8.456 2.724 1.00 0.00 C ATOM 929 CG ASP A 78 9.287 8.468 2.203 1.00 0.00 C ATOM 930 OD1 ASP A 78 9.887 9.562 2.166 1.00 0.00 O ATOM 931 OD2 ASP A 78 9.825 7.406 1.812 1.00 0.00 O ATOM 0 H ASP A 78 8.534 6.921 4.572 1.00 0.00 H new ATOM 0 HA ASP A 78 8.150 9.804 4.415 1.00 0.00 H new ATOM 0 HB2 ASP A 78 7.407 7.468 2.561 1.00 0.00 H new ATOM 0 HB3 ASP A 78 7.242 9.161 2.142 1.00 0.00 H new ATOM 936 N THR A 79 5.564 9.957 4.313 1.00 0.00 N ATOM 937 CA THR A 79 4.099 10.034 4.351 1.00 0.00 C ATOM 938 C THR A 79 3.619 10.265 2.920 1.00 0.00 C ATOM 939 O THR A 79 4.265 10.999 2.158 1.00 0.00 O ATOM 940 CB THR A 79 3.543 11.185 5.285 1.00 0.00 C ATOM 941 OG1 THR A 79 3.555 12.452 4.615 1.00 0.00 O ATOM 942 CG2 THR A 79 4.348 11.316 6.589 1.00 0.00 C ATOM 0 H THR A 79 6.013 10.822 4.011 1.00 0.00 H new ATOM 0 HA THR A 79 3.723 9.102 4.772 1.00 0.00 H new ATOM 0 HB THR A 79 2.518 10.904 5.528 1.00 0.00 H new ATOM 0 HG1 THR A 79 2.856 13.027 4.990 1.00 0.00 H new ATOM 0 HG21 THR A 79 3.929 12.118 7.196 1.00 0.00 H new ATOM 0 HG22 THR A 79 4.299 10.378 7.143 1.00 0.00 H new ATOM 0 HG23 THR A 79 5.387 11.544 6.354 1.00 0.00 H new ATOM 950 N LEU A 80 2.497 9.634 2.557 1.00 0.00 N ATOM 951 CA LEU A 80 1.864 9.814 1.241 1.00 0.00 C ATOM 952 C LEU A 80 1.588 11.313 0.943 1.00 0.00 C ATOM 953 O LEU A 80 1.884 11.802 -0.156 1.00 0.00 O ATOM 954 CB LEU A 80 0.558 8.955 1.103 1.00 0.00 C ATOM 955 CG LEU A 80 -0.625 9.205 2.109 1.00 0.00 C ATOM 956 CD1 LEU A 80 -1.957 8.659 1.546 1.00 0.00 C ATOM 957 CD2 LEU A 80 -0.352 8.589 3.501 1.00 0.00 C ATOM 0 H LEU A 80 2.000 8.984 3.166 1.00 0.00 H new ATOM 0 HA LEU A 80 2.570 9.454 0.493 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.171 9.104 0.095 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.843 7.906 1.184 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.704 10.285 2.232 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.758 8.845 2.262 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.187 9.160 0.606 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.867 7.587 1.373 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.197 8.789 4.159 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.215 7.512 3.402 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.550 9.032 3.924 1.00 0.00 H new ATOM 969 N SER A 81 1.111 12.035 1.977 1.00 0.00 N ATOM 970 CA SER A 81 0.702 13.455 1.886 1.00 0.00 C ATOM 971 C SER A 81 1.885 14.380 1.494 1.00 0.00 C ATOM 972 O SER A 81 1.706 15.316 0.703 1.00 0.00 O ATOM 973 CB SER A 81 0.071 13.896 3.238 1.00 0.00 C ATOM 974 OG SER A 81 -0.498 15.199 3.171 1.00 0.00 O ATOM 0 H SER A 81 0.997 11.645 2.912 1.00 0.00 H new ATOM 0 HA SER A 81 -0.039 13.548 1.092 1.00 0.00 H new ATOM 0 HB2 SER A 81 -0.699 13.181 3.527 1.00 0.00 H new ATOM 0 HB3 SER A 81 0.834 13.875 4.016 1.00 0.00 H new ATOM 0 HG SER A 81 -0.635 15.448 2.233 1.00 0.00 H new ATOM 980 N GLN A 82 3.099 14.086 2.020 1.00 0.00 N ATOM 981 CA GLN A 82 4.323 14.877 1.725 1.00 0.00 C ATOM 982 C GLN A 82 4.835 14.638 0.290 1.00 0.00 C ATOM 983 O GLN A 82 5.556 15.480 -0.257 1.00 0.00 O ATOM 984 CB GLN A 82 5.455 14.564 2.750 1.00 0.00 C ATOM 985 CG GLN A 82 5.176 15.062 4.184 1.00 0.00 C ATOM 986 CD GLN A 82 5.052 16.589 4.296 1.00 0.00 C ATOM 987 OE1 GLN A 82 5.695 17.338 3.558 1.00 0.00 O ATOM 988 NE2 GLN A 82 4.218 17.063 5.210 1.00 0.00 N ATOM 0 H GLN A 82 3.259 13.303 2.654 1.00 0.00 H new ATOM 0 HA GLN A 82 4.045 15.927 1.813 1.00 0.00 H new ATOM 0 HB2 GLN A 82 5.615 13.486 2.778 1.00 0.00 H new ATOM 0 HB3 GLN A 82 6.383 15.014 2.397 1.00 0.00 H new ATOM 0 HG2 GLN A 82 4.255 14.604 4.545 1.00 0.00 H new ATOM 0 HG3 GLN A 82 5.978 14.723 4.839 1.00 0.00 H new ATOM 0 HE21 GLN A 82 3.698 16.421 5.808 1.00 0.00 H new ATOM 0 HE22 GLN A 82 4.096 18.070 5.316 1.00 0.00 H new ATOM 997 N HIS A 83 4.466 13.493 -0.319 1.00 0.00 N ATOM 998 CA HIS A 83 4.831 13.179 -1.725 1.00 0.00 C ATOM 999 C HIS A 83 3.849 13.815 -2.721 1.00 0.00 C ATOM 1000 O HIS A 83 4.007 13.656 -3.936 1.00 0.00 O ATOM 1001 CB HIS A 83 4.934 11.642 -1.941 1.00 0.00 C ATOM 1002 CG HIS A 83 6.167 11.059 -1.314 1.00 0.00 C ATOM 1003 ND1 HIS A 83 7.357 10.933 -1.989 1.00 0.00 N ATOM 1004 CD2 HIS A 83 6.420 10.657 -0.053 1.00 0.00 C ATOM 1005 CE1 HIS A 83 8.277 10.487 -1.167 1.00 0.00 C ATOM 1006 NE2 HIS A 83 7.740 10.317 0.013 1.00 0.00 N ATOM 0 H HIS A 83 3.915 12.766 0.137 1.00 0.00 H new ATOM 0 HA HIS A 83 5.812 13.614 -1.916 1.00 0.00 H new ATOM 0 HB2 HIS A 83 4.052 11.159 -1.521 1.00 0.00 H new ATOM 0 HB3 HIS A 83 4.936 11.427 -3.010 1.00 0.00 H new ATOM 0 HD1 HIS A 83 7.502 11.152 -2.975 1.00 0.00 H new ATOM 0 HD2 HIS A 83 5.708 10.612 0.758 1.00 0.00 H new ATOM 0 HE1 HIS A 83 9.308 10.292 -1.423 1.00 0.00 H new ATOM 1015 N GLY A 84 2.854 14.550 -2.196 1.00 0.00 N ATOM 1016 CA GLY A 84 1.875 15.266 -3.012 1.00 0.00 C ATOM 1017 C GLY A 84 0.547 14.538 -3.109 1.00 0.00 C ATOM 1018 O GLY A 84 -0.410 15.087 -3.662 1.00 0.00 O ATOM 0 H GLY A 84 2.711 14.661 -1.192 1.00 0.00 H new ATOM 0 HA2 GLY A 84 1.711 16.257 -2.589 1.00 0.00 H new ATOM 0 HA3 GLY A 84 2.279 15.410 -4.014 1.00 0.00 H new ATOM 1022 N ILE A 85 0.486 13.312 -2.548 1.00 0.00 N ATOM 1023 CA ILE A 85 -0.709 12.458 -2.611 1.00 0.00 C ATOM 1024 C ILE A 85 -1.782 13.023 -1.682 1.00 0.00 C ATOM 1025 O ILE A 85 -1.629 13.002 -0.452 1.00 0.00 O ATOM 1026 CB ILE A 85 -0.404 10.975 -2.207 1.00 0.00 C ATOM 1027 CG1 ILE A 85 0.830 10.429 -2.988 1.00 0.00 C ATOM 1028 CG2 ILE A 85 -1.647 10.073 -2.417 1.00 0.00 C ATOM 1029 CD1 ILE A 85 1.339 9.088 -2.514 1.00 0.00 C ATOM 0 H ILE A 85 1.264 12.891 -2.041 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.056 12.453 -3.644 1.00 0.00 H new ATOM 0 HB ILE A 85 -0.160 10.958 -1.145 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.568 10.350 -4.043 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.639 11.155 -2.914 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.407 9.050 -2.129 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -2.470 10.439 -1.803 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.939 10.095 -3.467 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.197 8.791 -3.116 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.637 9.161 -1.468 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.550 8.343 -2.615 1.00 0.00 H new ATOM 1041 N HIS A 86 -2.843 13.552 -2.280 1.00 0.00 N ATOM 1042 CA HIS A 86 -3.943 14.190 -1.555 1.00 0.00 C ATOM 1043 C HIS A 86 -5.289 13.700 -2.085 1.00 0.00 C ATOM 1044 O HIS A 86 -5.351 12.703 -2.822 1.00 0.00 O ATOM 1045 CB HIS A 86 -3.798 15.732 -1.633 1.00 0.00 C ATOM 1046 CG HIS A 86 -2.668 16.272 -0.781 1.00 0.00 C ATOM 1047 ND1 HIS A 86 -1.466 16.705 -1.297 1.00 0.00 N ATOM 1048 CD2 HIS A 86 -2.559 16.396 0.567 1.00 0.00 C ATOM 1049 CE1 HIS A 86 -0.679 17.085 -0.308 1.00 0.00 C ATOM 1050 NE2 HIS A 86 -1.315 16.902 0.833 1.00 0.00 N ATOM 0 H HIS A 86 -2.968 13.552 -3.292 1.00 0.00 H new ATOM 0 HA HIS A 86 -3.900 13.910 -0.503 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -3.632 16.022 -2.670 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -4.734 16.194 -1.318 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -1.223 16.728 -2.287 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -3.315 16.142 1.295 1.00 0.00 H new ATOM 0 HE1 HIS A 86 0.320 17.480 -0.415 1.00 0.00 H new ATOM 1059 N ASP A 87 -6.361 14.374 -1.631 1.00 0.00 N ATOM 1060 CA ASP A 87 -7.748 14.071 -2.015 1.00 0.00 C ATOM 1061 C ASP A 87 -7.914 14.017 -3.548 1.00 0.00 C ATOM 1062 O ASP A 87 -7.664 15.010 -4.231 1.00 0.00 O ATOM 1063 CB ASP A 87 -8.692 15.139 -1.407 1.00 0.00 C ATOM 1064 CG ASP A 87 -10.182 14.891 -1.711 1.00 0.00 C ATOM 1065 OD1 ASP A 87 -10.675 15.351 -2.766 1.00 0.00 O ATOM 1066 OD2 ASP A 87 -10.876 14.254 -0.893 1.00 0.00 O ATOM 0 H ASP A 87 -6.285 15.154 -0.979 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.007 13.086 -1.626 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.550 15.165 -0.327 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -8.410 16.120 -1.789 1.00 0.00 H new ATOM 1071 N GLY A 88 -8.296 12.838 -4.063 1.00 0.00 N ATOM 1072 CA GLY A 88 -8.608 12.662 -5.484 1.00 0.00 C ATOM 1073 C GLY A 88 -7.464 12.096 -6.303 1.00 0.00 C ATOM 1074 O GLY A 88 -7.640 11.824 -7.500 1.00 0.00 O ATOM 0 H GLY A 88 -8.396 11.988 -3.508 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.469 12.000 -5.577 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -8.899 13.625 -5.903 1.00 0.00 H new ATOM 1078 N LEU A 89 -6.291 11.909 -5.675 1.00 0.00 N ATOM 1079 CA LEU A 89 -5.112 11.319 -6.344 1.00 0.00 C ATOM 1080 C LEU A 89 -5.098 9.795 -6.177 1.00 0.00 C ATOM 1081 O LEU A 89 -5.896 9.229 -5.418 1.00 0.00 O ATOM 1082 CB LEU A 89 -3.778 11.926 -5.815 1.00 0.00 C ATOM 1083 CG LEU A 89 -3.439 13.364 -6.321 1.00 0.00 C ATOM 1084 CD1 LEU A 89 -4.377 14.434 -5.722 1.00 0.00 C ATOM 1085 CD2 LEU A 89 -1.957 13.697 -6.071 1.00 0.00 C ATOM 0 H LEU A 89 -6.131 12.159 -4.699 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.192 11.561 -7.404 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.815 11.944 -4.726 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.961 11.261 -6.095 1.00 0.00 H new ATOM 0 HG LEU A 89 -3.609 13.378 -7.398 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.100 15.416 -6.105 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.407 14.213 -6.002 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.287 14.430 -4.636 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.744 14.703 -6.432 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.747 13.642 -5.003 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.329 12.981 -6.601 1.00 0.00 H new ATOM 1097 N THR A 90 -4.164 9.151 -6.902 1.00 0.00 N ATOM 1098 CA THR A 90 -4.006 7.695 -6.909 1.00 0.00 C ATOM 1099 C THR A 90 -2.536 7.312 -6.643 1.00 0.00 C ATOM 1100 O THR A 90 -1.621 7.857 -7.278 1.00 0.00 O ATOM 1101 CB THR A 90 -4.485 7.082 -8.269 1.00 0.00 C ATOM 1102 OG1 THR A 90 -5.841 7.489 -8.545 1.00 0.00 O ATOM 1103 CG2 THR A 90 -4.426 5.541 -8.266 1.00 0.00 C ATOM 0 H THR A 90 -3.496 9.635 -7.502 1.00 0.00 H new ATOM 0 HA THR A 90 -4.628 7.286 -6.113 1.00 0.00 H new ATOM 0 HB THR A 90 -3.808 7.452 -9.039 1.00 0.00 H new ATOM 0 HG1 THR A 90 -6.131 7.103 -9.398 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.767 5.162 -9.229 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.400 5.217 -8.091 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.069 5.154 -7.475 1.00 0.00 H new ATOM 1111 N VAL A 91 -2.327 6.387 -5.684 1.00 0.00 N ATOM 1112 CA VAL A 91 -1.018 5.760 -5.433 1.00 0.00 C ATOM 1113 C VAL A 91 -0.969 4.446 -6.215 1.00 0.00 C ATOM 1114 O VAL A 91 -1.980 3.740 -6.306 1.00 0.00 O ATOM 1115 CB VAL A 91 -0.755 5.444 -3.906 1.00 0.00 C ATOM 1116 CG1 VAL A 91 0.757 5.243 -3.630 1.00 0.00 C ATOM 1117 CG2 VAL A 91 -1.354 6.523 -2.989 1.00 0.00 C ATOM 0 H VAL A 91 -3.064 6.055 -5.062 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.249 6.465 -5.749 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.264 4.508 -3.674 1.00 0.00 H new ATOM 0 HG11 VAL A 91 0.908 5.027 -2.572 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.128 4.410 -4.227 1.00 0.00 H new ATOM 0 HG13 VAL A 91 1.299 6.150 -3.896 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.152 6.269 -1.948 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.904 7.488 -3.221 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.431 6.577 -3.147 1.00 0.00 H new ATOM 1127 N HIS A 92 0.190 4.115 -6.773 1.00 0.00 N ATOM 1128 CA HIS A 92 0.367 2.875 -7.534 1.00 0.00 C ATOM 1129 C HIS A 92 0.945 1.804 -6.599 1.00 0.00 C ATOM 1130 O HIS A 92 2.106 1.892 -6.200 1.00 0.00 O ATOM 1131 CB HIS A 92 1.303 3.139 -8.742 1.00 0.00 C ATOM 1132 CG HIS A 92 0.772 4.167 -9.716 1.00 0.00 C ATOM 1133 ND1 HIS A 92 0.401 3.864 -11.006 1.00 0.00 N ATOM 1134 CD2 HIS A 92 0.586 5.506 -9.585 1.00 0.00 C ATOM 1135 CE1 HIS A 92 0.003 4.959 -11.620 1.00 0.00 C ATOM 1136 NE2 HIS A 92 0.100 5.967 -10.778 1.00 0.00 N ATOM 0 H HIS A 92 1.030 4.691 -6.714 1.00 0.00 H new ATOM 0 HA HIS A 92 -0.588 2.521 -7.922 1.00 0.00 H new ATOM 0 HB2 HIS A 92 2.273 3.471 -8.372 1.00 0.00 H new ATOM 0 HB3 HIS A 92 1.468 2.201 -9.273 1.00 0.00 H new ATOM 0 HD2 HIS A 92 0.785 6.097 -8.703 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -0.344 5.020 -12.641 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -0.147 6.935 -10.982 1.00 0.00 H new ATOM 1145 N LEU A 93 0.113 0.811 -6.229 1.00 0.00 N ATOM 1146 CA LEU A 93 0.549 -0.299 -5.368 1.00 0.00 C ATOM 1147 C LEU A 93 1.017 -1.475 -6.218 1.00 0.00 C ATOM 1148 O LEU A 93 0.338 -1.884 -7.169 1.00 0.00 O ATOM 1149 CB LEU A 93 -0.578 -0.796 -4.427 1.00 0.00 C ATOM 1150 CG LEU A 93 -0.203 -2.019 -3.514 1.00 0.00 C ATOM 1151 CD1 LEU A 93 0.819 -1.643 -2.418 1.00 0.00 C ATOM 1152 CD2 LEU A 93 -1.453 -2.680 -2.910 1.00 0.00 C ATOM 0 H LEU A 93 -0.865 0.758 -6.515 1.00 0.00 H new ATOM 0 HA LEU A 93 1.366 0.086 -4.757 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.886 0.032 -3.788 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.441 -1.069 -5.034 1.00 0.00 H new ATOM 0 HG LEU A 93 0.280 -2.752 -4.160 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.045 -2.522 -1.814 1.00 0.00 H new ATOM 0 HD12 LEU A 93 1.734 -1.278 -2.884 1.00 0.00 H new ATOM 0 HD13 LEU A 93 0.400 -0.864 -1.781 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -1.154 -3.521 -2.285 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.993 -1.952 -2.304 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -2.100 -3.036 -3.712 1.00 0.00 H new ATOM 1164 N VAL A 94 2.163 -2.027 -5.838 1.00 0.00 N ATOM 1165 CA VAL A 94 2.691 -3.274 -6.384 1.00 0.00 C ATOM 1166 C VAL A 94 2.867 -4.257 -5.222 1.00 0.00 C ATOM 1167 O VAL A 94 3.620 -3.987 -4.279 1.00 0.00 O ATOM 1168 CB VAL A 94 4.054 -3.038 -7.143 1.00 0.00 C ATOM 1169 CG1 VAL A 94 4.749 -4.368 -7.532 1.00 0.00 C ATOM 1170 CG2 VAL A 94 3.833 -2.142 -8.390 1.00 0.00 C ATOM 0 H VAL A 94 2.765 -1.612 -5.127 1.00 0.00 H new ATOM 0 HA VAL A 94 1.996 -3.682 -7.118 1.00 0.00 H new ATOM 0 HB VAL A 94 4.723 -2.522 -6.455 1.00 0.00 H new ATOM 0 HG11 VAL A 94 5.682 -4.152 -8.052 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.960 -4.945 -6.632 1.00 0.00 H new ATOM 0 HG13 VAL A 94 4.094 -4.943 -8.186 1.00 0.00 H new ATOM 0 HG21 VAL A 94 4.783 -1.989 -8.901 1.00 0.00 H new ATOM 0 HG22 VAL A 94 3.130 -2.628 -9.067 1.00 0.00 H new ATOM 0 HG23 VAL A 94 3.430 -1.178 -8.079 1.00 0.00 H new ATOM 1180 N ILE A 95 2.115 -5.361 -5.261 1.00 0.00 N ATOM 1181 CA ILE A 95 2.231 -6.428 -4.267 1.00 0.00 C ATOM 1182 C ILE A 95 3.293 -7.418 -4.770 1.00 0.00 C ATOM 1183 O ILE A 95 3.361 -7.703 -5.969 1.00 0.00 O ATOM 1184 CB ILE A 95 0.855 -7.157 -3.987 1.00 0.00 C ATOM 1185 CG1 ILE A 95 -0.293 -6.103 -3.807 1.00 0.00 C ATOM 1186 CG2 ILE A 95 0.965 -8.061 -2.738 1.00 0.00 C ATOM 1187 CD1 ILE A 95 -1.642 -6.655 -3.371 1.00 0.00 C ATOM 0 H ILE A 95 1.413 -5.538 -5.979 1.00 0.00 H new ATOM 0 HA ILE A 95 2.528 -5.995 -3.312 1.00 0.00 H new ATOM 0 HB ILE A 95 0.615 -7.786 -4.844 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.030 -5.365 -3.073 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.426 -5.576 -4.751 1.00 0.00 H new ATOM 0 HG21 ILE A 95 0.009 -8.554 -2.561 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.737 -8.813 -2.900 1.00 0.00 H new ATOM 0 HG23 ILE A 95 1.226 -7.454 -1.871 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -2.357 -5.838 -3.279 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -2.000 -7.369 -4.113 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.537 -7.155 -2.408 1.00 0.00 H new ATOM 1199 N LYS A 96 4.118 -7.924 -3.854 1.00 0.00 N ATOM 1200 CA LYS A 96 5.275 -8.795 -4.167 1.00 0.00 C ATOM 1201 C LYS A 96 4.872 -10.294 -4.118 1.00 0.00 C ATOM 1202 O LYS A 96 5.711 -11.183 -4.268 1.00 0.00 O ATOM 1203 CB LYS A 96 6.398 -8.464 -3.134 1.00 0.00 C ATOM 1204 CG LYS A 96 7.775 -9.109 -3.407 1.00 0.00 C ATOM 1205 CD LYS A 96 8.843 -8.724 -2.360 1.00 0.00 C ATOM 1206 CE LYS A 96 9.136 -7.213 -2.313 1.00 0.00 C ATOM 1207 NZ LYS A 96 10.216 -6.894 -1.347 1.00 0.00 N ATOM 0 H LYS A 96 4.009 -7.744 -2.856 1.00 0.00 H new ATOM 0 HA LYS A 96 5.634 -8.610 -5.179 1.00 0.00 H new ATOM 0 HB2 LYS A 96 6.525 -7.382 -3.099 1.00 0.00 H new ATOM 0 HB3 LYS A 96 6.061 -8.778 -2.146 1.00 0.00 H new ATOM 0 HG2 LYS A 96 7.665 -10.193 -3.423 1.00 0.00 H new ATOM 0 HG3 LYS A 96 8.120 -8.809 -4.396 1.00 0.00 H new ATOM 0 HD2 LYS A 96 8.511 -9.053 -1.375 1.00 0.00 H new ATOM 0 HD3 LYS A 96 9.767 -9.259 -2.580 1.00 0.00 H new ATOM 0 HE2 LYS A 96 9.422 -6.867 -3.306 1.00 0.00 H new ATOM 0 HE3 LYS A 96 8.229 -6.675 -2.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 10.386 -5.868 -1.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 9.932 -7.202 -0.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 11.088 -7.388 -1.625 1.00 0.00 H new ATOM 1221 N THR A 97 3.568 -10.555 -3.966 1.00 0.00 N ATOM 1222 CA THR A 97 3.047 -11.878 -3.612 1.00 0.00 C ATOM 1223 C THR A 97 2.721 -12.734 -4.864 1.00 0.00 C ATOM 1224 O THR A 97 3.604 -13.430 -5.385 1.00 0.00 O ATOM 1225 CB THR A 97 1.802 -11.689 -2.695 1.00 0.00 C ATOM 1226 OG1 THR A 97 2.125 -10.771 -1.644 1.00 0.00 O ATOM 1227 CG2 THR A 97 1.322 -12.997 -2.084 1.00 0.00 C ATOM 0 H THR A 97 2.842 -9.849 -4.086 1.00 0.00 H new ATOM 0 HA THR A 97 3.814 -12.433 -3.072 1.00 0.00 H new ATOM 0 HB THR A 97 0.995 -11.302 -3.317 1.00 0.00 H new ATOM 0 HG1 THR A 97 2.964 -11.045 -1.217 1.00 0.00 H new ATOM 0 HG21 THR A 97 0.453 -12.807 -1.454 1.00 0.00 H new ATOM 0 HG22 THR A 97 1.050 -13.692 -2.879 1.00 0.00 H new ATOM 0 HG23 THR A 97 2.119 -13.431 -1.480 1.00 0.00 H new ATOM 1235 N GLN A 98 1.474 -12.607 -5.374 1.00 0.00 N ATOM 1236 CA GLN A 98 0.894 -13.490 -6.410 1.00 0.00 C ATOM 1237 C GLN A 98 -0.558 -13.040 -6.679 1.00 0.00 C ATOM 1238 O GLN A 98 -1.000 -12.015 -6.141 1.00 0.00 O ATOM 1239 CB GLN A 98 0.950 -14.986 -5.952 1.00 0.00 C ATOM 1240 CG GLN A 98 0.020 -15.346 -4.774 1.00 0.00 C ATOM 1241 CD GLN A 98 0.383 -16.667 -4.094 1.00 0.00 C ATOM 1242 OE1 GLN A 98 1.110 -16.689 -3.102 1.00 0.00 O ATOM 1243 NE2 GLN A 98 -0.070 -17.774 -4.658 1.00 0.00 N ATOM 0 H GLN A 98 0.832 -11.875 -5.071 1.00 0.00 H new ATOM 0 HA GLN A 98 1.471 -13.414 -7.331 1.00 0.00 H new ATOM 0 HB2 GLN A 98 0.696 -15.620 -6.802 1.00 0.00 H new ATOM 0 HB3 GLN A 98 1.976 -15.226 -5.671 1.00 0.00 H new ATOM 0 HG2 GLN A 98 0.054 -14.545 -4.036 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -1.007 -15.402 -5.136 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -0.671 -17.718 -5.480 1.00 0.00 H new ATOM 0 HE22 GLN A 98 0.182 -18.683 -4.271 1.00 0.00 H new ATOM 1252 N ASN A 99 -1.296 -13.799 -7.509 1.00 0.00 N ATOM 1253 CA ASN A 99 -2.729 -13.543 -7.766 1.00 0.00 C ATOM 1254 C ASN A 99 -3.561 -13.948 -6.535 1.00 0.00 C ATOM 1255 O ASN A 99 -3.864 -15.130 -6.341 1.00 0.00 O ATOM 1256 CB ASN A 99 -3.207 -14.320 -9.029 1.00 0.00 C ATOM 1257 CG ASN A 99 -2.499 -13.872 -10.307 1.00 0.00 C ATOM 1258 OD1 ASN A 99 -2.954 -12.954 -10.987 1.00 0.00 O ATOM 1259 ND2 ASN A 99 -1.381 -14.505 -10.637 1.00 0.00 N ATOM 0 H ASN A 99 -0.922 -14.600 -8.017 1.00 0.00 H new ATOM 0 HA ASN A 99 -2.868 -12.478 -7.951 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -3.036 -15.386 -8.880 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -4.282 -14.183 -9.148 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -0.871 -14.234 -11.478 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -1.032 -15.262 -10.050 1.00 0.00 H new ATOM 1266 N ARG A 100 -3.855 -12.967 -5.662 1.00 0.00 N ATOM 1267 CA ARG A 100 -4.701 -13.172 -4.469 1.00 0.00 C ATOM 1268 C ARG A 100 -6.066 -12.475 -4.666 1.00 0.00 C ATOM 1269 O ARG A 100 -6.097 -11.335 -5.135 1.00 0.00 O ATOM 1270 CB ARG A 100 -3.997 -12.646 -3.184 1.00 0.00 C ATOM 1271 CG ARG A 100 -2.682 -13.381 -2.822 1.00 0.00 C ATOM 1272 CD ARG A 100 -2.246 -13.151 -1.366 1.00 0.00 C ATOM 1273 NE ARG A 100 -3.207 -13.742 -0.419 1.00 0.00 N ATOM 1274 CZ ARG A 100 -2.902 -14.203 0.803 1.00 0.00 C ATOM 1275 NH1 ARG A 100 -1.653 -14.191 1.237 1.00 0.00 N ATOM 1276 NH2 ARG A 100 -3.848 -14.721 1.565 1.00 0.00 N ATOM 0 H ARG A 100 -3.514 -12.011 -5.762 1.00 0.00 H new ATOM 0 HA ARG A 100 -4.864 -14.242 -4.342 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -3.781 -11.585 -3.312 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -4.688 -12.732 -2.346 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -2.811 -14.450 -2.992 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -1.889 -13.045 -3.490 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -1.260 -13.587 -1.206 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -2.156 -12.081 -1.176 1.00 0.00 H new ATOM 0 HE ARG A 100 -4.181 -13.806 -0.716 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -0.909 -13.828 0.640 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -1.433 -14.544 2.168 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -4.808 -14.770 1.224 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -3.619 -15.072 2.495 1.00 0.00 H new ATOM 1290 N PRO A 101 -7.217 -13.154 -4.330 1.00 0.00 N ATOM 1291 CA PRO A 101 -8.577 -12.570 -4.467 1.00 0.00 C ATOM 1292 C PRO A 101 -8.755 -11.300 -3.585 1.00 0.00 C ATOM 1293 O PRO A 101 -8.707 -10.185 -4.139 1.00 0.00 O ATOM 1294 CB PRO A 101 -9.529 -13.732 -4.033 1.00 0.00 C ATOM 1295 CG PRO A 101 -8.690 -14.968 -4.150 1.00 0.00 C ATOM 1296 CD PRO A 101 -7.288 -14.537 -3.795 1.00 0.00 C ATOM 1297 OXT PRO A 101 -8.913 -11.424 -2.349 1.00 0.00 O ATOM 0 HA PRO A 101 -8.784 -12.224 -5.480 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -9.888 -13.591 -3.014 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -10.408 -13.786 -4.676 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -9.044 -15.748 -3.476 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.731 -15.377 -5.160 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -7.119 -14.562 -2.719 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -6.539 -15.185 -4.251 1.00 0.00 H new TER 1305 PRO A 101