USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 795 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 85 ASN : amide:sc= -0.286 X(o=-0.26,f=-0.04) USER MOD Set 1.2: A 108 CYS SG : rot -91:sc= 0.0269 USER MOD Set 2.1: A 56 CYS SG : rot 65:sc= 1.58 USER MOD Set 2.2: A 80 SER OG : rot 55:sc= 1.27 USER MOD Set 3.1: A 28 HIS : no HE2:sc= -4.69! C(o=-5.5!,f=-8!) USER MOD Set 3.2: A 30 TYR OH : rot 50:sc= -0.827 USER MOD Single : A 9 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0635) USER MOD Single : A 11 HIS : no HE2:sc= -0.996 K(o=-1,f=-4.6!) USER MOD Single : A 13 ASN : amide:sc= -1.98! C(o=-2!,f=-8.3!) USER MOD Single : A 21 LYS NZ :NH3+ 170:sc= -0.0119 (180deg=-0.127) USER MOD Single : A 24 THR OG1 : rot 19:sc= -0.153 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot 31:sc= 0.0789 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -4.81! X(o=-4.8!,f=-5.2) USER MOD Single : A 37 LYS NZ :NH3+ 164:sc= -1.93! (180deg=-2.36!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -4.05! C(o=-4!,f=-10!) USER MOD Single : A 46 MET CE :methyl -133:sc= -2.33 (180deg=-7.62!) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.964 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 29:sc= 0.121 USER MOD Single : A 62 LYS NZ :NH3+ -144:sc= -0.726 (180deg=-2.68!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.588 X(o=-0.59,f=-0.8) USER MOD Single : A 75 GLN : amide:sc= -0.474 X(o=-0.47,f=-0.48) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 18:sc= 0.916 USER MOD Single : A 93 ASN : amide:sc= -0.0405 X(o=-0.041,f=0) USER MOD Single : A 95 ASN : amide:sc= -0.748 K(o=-0.75,f=-0.16) USER MOD Single : A 97 SER OG : rot 115:sc= -0.375 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 9.902 -4.239 7.020 1.00 0.00 N ATOM 67 CA PRO A 8 8.902 -5.298 7.181 1.00 0.00 C ATOM 68 C PRO A 8 8.983 -6.345 6.075 1.00 0.00 C ATOM 69 O PRO A 8 9.686 -6.161 5.081 1.00 0.00 O ATOM 70 CB PRO A 8 7.571 -4.544 7.105 1.00 0.00 C ATOM 71 CG PRO A 8 7.874 -3.320 6.313 1.00 0.00 C ATOM 72 CD PRO A 8 9.293 -2.951 6.647 1.00 0.00 C ATOM 0 HA PRO A 8 9.042 -5.852 8.109 1.00 0.00 H new ATOM 0 HB2 PRO A 8 6.801 -5.147 6.623 1.00 0.00 H new ATOM 0 HB3 PRO A 8 7.202 -4.291 8.099 1.00 0.00 H new ATOM 0 HG2 PRO A 8 7.761 -3.508 5.245 1.00 0.00 H new ATOM 0 HG3 PRO A 8 7.190 -2.511 6.568 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.801 -2.498 5.796 1.00 0.00 H new ATOM 0 HD3 PRO A 8 9.339 -2.233 7.465 1.00 0.00 H new ATOM 80 N LYS A 9 8.261 -7.446 6.255 1.00 0.00 N ATOM 81 CA LYS A 9 8.250 -8.523 5.272 1.00 0.00 C ATOM 82 C LYS A 9 7.143 -8.310 4.244 1.00 0.00 C ATOM 83 O LYS A 9 7.352 -8.500 3.046 1.00 0.00 O ATOM 84 CB LYS A 9 8.061 -9.874 5.968 1.00 0.00 C ATOM 85 CG LYS A 9 9.364 -10.515 6.413 1.00 0.00 C ATOM 86 CD LYS A 9 9.921 -9.842 7.656 1.00 0.00 C ATOM 87 CE LYS A 9 9.306 -10.414 8.923 1.00 0.00 C ATOM 88 NZ LYS A 9 9.852 -11.761 9.246 1.00 0.00 N ATOM 0 H LYS A 9 7.676 -7.616 7.073 1.00 0.00 H new ATOM 0 HA LYS A 9 9.209 -8.518 4.754 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.417 -9.739 6.837 1.00 0.00 H new ATOM 0 HB3 LYS A 9 7.544 -10.553 5.290 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.200 -11.574 6.614 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.095 -10.454 5.607 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.003 -9.970 7.686 1.00 0.00 H new ATOM 0 HD3 LYS A 9 9.728 -8.770 7.608 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.495 -9.737 9.756 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.225 -10.480 8.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 9.553 -12.036 10.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 9.494 -12.455 8.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 10.891 -11.734 9.202 1.00 0.00 H new ATOM 102 N ILE A 10 5.968 -7.914 4.720 1.00 0.00 N ATOM 103 CA ILE A 10 4.830 -7.673 3.841 1.00 0.00 C ATOM 104 C ILE A 10 4.960 -6.330 3.131 1.00 0.00 C ATOM 105 O ILE A 10 5.335 -5.327 3.739 1.00 0.00 O ATOM 106 CB ILE A 10 3.501 -7.704 4.619 1.00 0.00 C ATOM 107 CG1 ILE A 10 3.691 -7.118 6.020 1.00 0.00 C ATOM 108 CG2 ILE A 10 2.969 -9.127 4.702 1.00 0.00 C ATOM 109 CD1 ILE A 10 4.069 -8.149 7.060 1.00 0.00 C ATOM 0 H ILE A 10 5.779 -7.753 5.709 1.00 0.00 H new ATOM 0 HA ILE A 10 4.827 -8.474 3.101 1.00 0.00 H new ATOM 0 HB ILE A 10 2.771 -7.094 4.087 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.465 -6.351 5.982 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.769 -6.625 6.327 1.00 0.00 H new ATOM 0 HG21 ILE A 10 2.030 -9.133 5.255 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.801 -9.512 3.696 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.695 -9.758 5.215 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.187 -7.663 8.028 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.285 -8.903 7.126 1.00 0.00 H new ATOM 0 HD13 ILE A 10 5.008 -8.625 6.776 1.00 0.00 H new ATOM 121 N HIS A 11 4.644 -6.317 1.839 1.00 0.00 N ATOM 122 CA HIS A 11 4.723 -5.096 1.046 1.00 0.00 C ATOM 123 C HIS A 11 3.577 -5.027 0.041 1.00 0.00 C ATOM 124 O HIS A 11 3.151 -6.046 -0.502 1.00 0.00 O ATOM 125 CB HIS A 11 6.063 -5.023 0.314 1.00 0.00 C ATOM 126 CG HIS A 11 6.122 -5.878 -0.915 1.00 0.00 C ATOM 127 ND1 HIS A 11 5.621 -5.477 -2.135 1.00 0.00 N ATOM 128 CD2 HIS A 11 6.628 -7.118 -1.107 1.00 0.00 C ATOM 129 CE1 HIS A 11 5.815 -6.435 -3.024 1.00 0.00 C ATOM 130 NE2 HIS A 11 6.425 -7.442 -2.426 1.00 0.00 N ATOM 0 H HIS A 11 4.331 -7.138 1.320 1.00 0.00 H new ATOM 0 HA HIS A 11 4.642 -4.246 1.724 1.00 0.00 H new ATOM 0 HB2 HIS A 11 6.260 -3.988 0.036 1.00 0.00 H new ATOM 0 HB3 HIS A 11 6.857 -5.326 0.996 1.00 0.00 H new ATOM 0 HD1 HIS A 11 5.171 -4.581 -2.322 1.00 0.00 H new ATOM 0 HD2 HIS A 11 7.103 -7.738 -0.361 1.00 0.00 H new ATOM 0 HE1 HIS A 11 5.524 -6.400 -4.063 1.00 0.00 H new ATOM 138 N PHE A 12 3.081 -3.818 -0.202 1.00 0.00 N ATOM 139 CA PHE A 12 1.983 -3.616 -1.140 1.00 0.00 C ATOM 140 C PHE A 12 2.486 -3.645 -2.580 1.00 0.00 C ATOM 141 O PHE A 12 3.643 -3.328 -2.851 1.00 0.00 O ATOM 142 CB PHE A 12 1.282 -2.285 -0.859 1.00 0.00 C ATOM 143 CG PHE A 12 0.353 -2.333 0.320 1.00 0.00 C ATOM 144 CD1 PHE A 12 -0.821 -3.068 0.264 1.00 0.00 C ATOM 145 CD2 PHE A 12 0.653 -1.645 1.484 1.00 0.00 C ATOM 146 CE1 PHE A 12 -1.678 -3.115 1.347 1.00 0.00 C ATOM 147 CE2 PHE A 12 -0.200 -1.689 2.571 1.00 0.00 C ATOM 148 CZ PHE A 12 -1.368 -2.424 2.502 1.00 0.00 C ATOM 0 H PHE A 12 3.422 -2.963 0.238 1.00 0.00 H new ATOM 0 HA PHE A 12 1.270 -4.429 -1.006 1.00 0.00 H new ATOM 0 HB2 PHE A 12 2.035 -1.516 -0.687 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.719 -1.987 -1.743 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.069 -3.610 -0.637 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.564 -1.068 1.543 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.589 -3.692 1.290 1.00 0.00 H new ATOM 0 HE2 PHE A 12 0.046 -1.149 3.473 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.037 -2.458 3.349 1.00 0.00 H new ATOM 158 N ASN A 13 1.606 -4.028 -3.500 1.00 0.00 N ATOM 159 CA ASN A 13 1.961 -4.100 -4.913 1.00 0.00 C ATOM 160 C ASN A 13 2.580 -2.789 -5.386 1.00 0.00 C ATOM 161 O ASN A 13 3.476 -2.782 -6.231 1.00 0.00 O ATOM 162 CB ASN A 13 0.725 -4.426 -5.754 1.00 0.00 C ATOM 163 CG ASN A 13 -0.515 -3.702 -5.265 1.00 0.00 C ATOM 164 OD1 ASN A 13 -0.459 -2.928 -4.309 1.00 0.00 O ATOM 165 ND2 ASN A 13 -1.642 -3.950 -5.921 1.00 0.00 N ATOM 0 H ASN A 13 0.643 -4.293 -3.293 1.00 0.00 H new ATOM 0 HA ASN A 13 2.697 -4.894 -5.037 1.00 0.00 H new ATOM 0 HB2 ASN A 13 0.914 -4.156 -6.793 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.547 -5.501 -5.732 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.508 -3.491 -5.638 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -1.642 -4.599 -6.708 1.00 0.00 H new ATOM 172 N PHE A 14 2.098 -1.680 -4.834 1.00 0.00 N ATOM 173 CA PHE A 14 2.603 -0.362 -5.200 1.00 0.00 C ATOM 174 C PHE A 14 3.034 0.418 -3.961 1.00 0.00 C ATOM 175 O PHE A 14 2.783 -0.003 -2.832 1.00 0.00 O ATOM 176 CB PHE A 14 1.536 0.423 -5.964 1.00 0.00 C ATOM 177 CG PHE A 14 0.144 0.208 -5.442 1.00 0.00 C ATOM 178 CD1 PHE A 14 -0.130 0.335 -4.089 1.00 0.00 C ATOM 179 CD2 PHE A 14 -0.890 -0.121 -6.303 1.00 0.00 C ATOM 180 CE1 PHE A 14 -1.409 0.137 -3.606 1.00 0.00 C ATOM 181 CE2 PHE A 14 -2.172 -0.320 -5.825 1.00 0.00 C ATOM 182 CZ PHE A 14 -2.432 -0.190 -4.475 1.00 0.00 C ATOM 0 H PHE A 14 1.358 -1.668 -4.132 1.00 0.00 H new ATOM 0 HA PHE A 14 3.472 -0.500 -5.843 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.774 1.486 -5.915 1.00 0.00 H new ATOM 0 HB3 PHE A 14 1.569 0.137 -7.015 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.665 0.592 -3.405 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -0.693 -0.223 -7.360 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.609 0.238 -2.549 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.969 -0.577 -6.507 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.433 -0.344 -4.099 1.00 0.00 H new ATOM 192 N GLU A 15 3.685 1.556 -4.182 1.00 0.00 N ATOM 193 CA GLU A 15 4.153 2.393 -3.083 1.00 0.00 C ATOM 194 C GLU A 15 3.164 3.520 -2.799 1.00 0.00 C ATOM 195 O GLU A 15 3.170 4.109 -1.718 1.00 0.00 O ATOM 196 CB GLU A 15 5.529 2.978 -3.408 1.00 0.00 C ATOM 197 CG GLU A 15 5.543 3.844 -4.656 1.00 0.00 C ATOM 198 CD GLU A 15 6.936 4.320 -5.020 1.00 0.00 C ATOM 199 OE1 GLU A 15 7.652 3.578 -5.725 1.00 0.00 O ATOM 200 OE2 GLU A 15 7.310 5.436 -4.600 1.00 0.00 O ATOM 0 H GLU A 15 3.900 1.919 -5.111 1.00 0.00 H new ATOM 0 HA GLU A 15 4.232 1.769 -2.193 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.871 3.572 -2.560 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.241 2.162 -3.534 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.126 3.279 -5.490 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.897 4.708 -4.501 1.00 0.00 H new ATOM 207 N LEU A 16 2.315 3.815 -3.778 1.00 0.00 N ATOM 208 CA LEU A 16 1.320 4.872 -3.635 1.00 0.00 C ATOM 209 C LEU A 16 0.115 4.610 -4.533 1.00 0.00 C ATOM 210 O LEU A 16 0.263 4.193 -5.683 1.00 0.00 O ATOM 211 CB LEU A 16 1.937 6.230 -3.973 1.00 0.00 C ATOM 212 CG LEU A 16 0.952 7.380 -4.184 1.00 0.00 C ATOM 213 CD1 LEU A 16 1.662 8.720 -4.064 1.00 0.00 C ATOM 214 CD2 LEU A 16 0.269 7.257 -5.538 1.00 0.00 C ATOM 0 H LEU A 16 2.296 3.337 -4.679 1.00 0.00 H new ATOM 0 HA LEU A 16 0.982 4.882 -2.599 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.621 6.506 -3.170 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.535 6.120 -4.877 1.00 0.00 H new ATOM 0 HG LEU A 16 0.189 7.325 -3.408 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.945 9.527 -4.217 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.103 8.810 -3.071 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.447 8.785 -4.817 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.428 8.084 -5.670 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.019 7.285 -6.328 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.274 6.313 -5.587 1.00 0.00 H new ATOM 226 N LEU A 17 -1.077 4.859 -4.002 1.00 0.00 N ATOM 227 CA LEU A 17 -2.309 4.652 -4.757 1.00 0.00 C ATOM 228 C LEU A 17 -2.881 5.981 -5.239 1.00 0.00 C ATOM 229 O LEU A 17 -3.286 6.822 -4.436 1.00 0.00 O ATOM 230 CB LEU A 17 -3.341 3.921 -3.896 1.00 0.00 C ATOM 231 CG LEU A 17 -4.743 3.793 -4.492 1.00 0.00 C ATOM 232 CD1 LEU A 17 -4.714 2.929 -5.743 1.00 0.00 C ATOM 233 CD2 LEU A 17 -5.708 3.218 -3.466 1.00 0.00 C ATOM 0 H LEU A 17 -1.217 5.204 -3.052 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.074 4.041 -5.629 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.965 2.920 -3.685 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.420 4.440 -2.941 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.091 4.788 -4.771 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.721 2.849 -6.153 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.055 3.383 -6.483 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.345 1.935 -5.490 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.701 3.134 -3.908 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.364 2.231 -3.156 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.751 3.876 -2.598 1.00 0.00 H new ATOM 245 N ASP A 18 -2.914 6.162 -6.554 1.00 0.00 N ATOM 246 CA ASP A 18 -3.441 7.388 -7.144 1.00 0.00 C ATOM 247 C ASP A 18 -4.866 7.180 -7.648 1.00 0.00 C ATOM 248 O ASP A 18 -5.078 6.640 -8.734 1.00 0.00 O ATOM 249 CB ASP A 18 -2.544 7.853 -8.292 1.00 0.00 C ATOM 250 CG ASP A 18 -3.175 8.964 -9.107 1.00 0.00 C ATOM 251 OD1 ASP A 18 -3.907 8.651 -10.070 1.00 0.00 O ATOM 252 OD2 ASP A 18 -2.939 10.146 -8.782 1.00 0.00 O ATOM 0 H ASP A 18 -2.582 5.476 -7.232 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.457 8.156 -6.371 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.592 8.198 -7.888 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.326 7.007 -8.944 1.00 0.00 H new ATOM 257 N ILE A 19 -5.838 7.611 -6.851 1.00 0.00 N ATOM 258 CA ILE A 19 -7.242 7.472 -7.217 1.00 0.00 C ATOM 259 C ILE A 19 -7.679 8.590 -8.157 1.00 0.00 C ATOM 260 O ILE A 19 -8.851 8.691 -8.516 1.00 0.00 O ATOM 261 CB ILE A 19 -8.151 7.478 -5.973 1.00 0.00 C ATOM 262 CG1 ILE A 19 -8.087 8.837 -5.274 1.00 0.00 C ATOM 263 CG2 ILE A 19 -7.747 6.365 -5.017 1.00 0.00 C ATOM 264 CD1 ILE A 19 -8.979 8.934 -4.057 1.00 0.00 C ATOM 0 H ILE A 19 -5.679 8.059 -5.948 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.342 6.513 -7.726 1.00 0.00 H new ATOM 0 HB ILE A 19 -9.179 7.303 -6.291 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.057 9.035 -4.976 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -8.369 9.615 -5.984 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -8.398 6.382 -4.143 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -7.839 5.402 -5.520 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -6.714 6.513 -4.703 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -8.882 9.925 -3.613 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -10.015 8.768 -4.351 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -8.684 8.179 -3.328 1.00 0.00 H new ATOM 276 N GLY A 20 -6.726 9.428 -8.554 1.00 0.00 N ATOM 277 CA GLY A 20 -7.032 10.527 -9.451 1.00 0.00 C ATOM 278 C GLY A 20 -8.247 11.317 -9.007 1.00 0.00 C ATOM 279 O GLY A 20 -8.415 11.597 -7.820 1.00 0.00 O ATOM 0 H GLY A 20 -5.748 9.365 -8.271 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -6.171 11.193 -9.511 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.203 10.136 -10.454 1.00 0.00 H new ATOM 283 N LYS A 21 -9.096 11.680 -9.962 1.00 0.00 N ATOM 284 CA LYS A 21 -10.302 12.443 -9.665 1.00 0.00 C ATOM 285 C LYS A 21 -11.429 11.523 -9.208 1.00 0.00 C ATOM 286 O LYS A 21 -11.773 10.559 -9.893 1.00 0.00 O ATOM 287 CB LYS A 21 -10.745 13.237 -10.896 1.00 0.00 C ATOM 288 CG LYS A 21 -9.941 14.506 -11.123 1.00 0.00 C ATOM 289 CD LYS A 21 -10.774 15.579 -11.803 1.00 0.00 C ATOM 290 CE LYS A 21 -9.987 16.869 -11.976 1.00 0.00 C ATOM 291 NZ LYS A 21 -8.811 16.686 -12.870 1.00 0.00 N ATOM 0 H LYS A 21 -8.971 11.458 -10.950 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.072 13.137 -8.856 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.661 12.601 -11.777 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.798 13.498 -10.790 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.573 14.881 -10.168 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.068 14.280 -11.735 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.106 15.221 -12.777 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.670 15.774 -11.213 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.639 17.640 -12.387 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.651 17.223 -11.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.401 17.614 -13.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.098 16.101 -12.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.112 16.215 -13.747 1.00 0.00 H new ATOM 305 N VAL A 22 -12.003 11.827 -8.048 1.00 0.00 N ATOM 306 CA VAL A 22 -13.093 11.029 -7.501 1.00 0.00 C ATOM 307 C VAL A 22 -14.209 11.918 -6.964 1.00 0.00 C ATOM 308 O VAL A 22 -14.013 12.671 -6.011 1.00 0.00 O ATOM 309 CB VAL A 22 -12.601 10.104 -6.373 1.00 0.00 C ATOM 310 CG1 VAL A 22 -11.470 9.214 -6.867 1.00 0.00 C ATOM 311 CG2 VAL A 22 -12.160 10.921 -5.168 1.00 0.00 C ATOM 0 H VAL A 22 -11.731 12.621 -7.469 1.00 0.00 H new ATOM 0 HA VAL A 22 -13.479 10.419 -8.318 1.00 0.00 H new ATOM 0 HB VAL A 22 -13.428 9.463 -6.066 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.135 8.567 -6.056 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -11.824 8.602 -7.696 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -10.639 9.834 -7.203 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -11.815 10.251 -4.380 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.348 11.588 -5.458 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -13.000 11.510 -4.801 1.00 0.00 H new ATOM 321 N PHE A 23 -15.382 11.824 -7.583 1.00 0.00 N ATOM 322 CA PHE A 23 -16.531 12.620 -7.167 1.00 0.00 C ATOM 323 C PHE A 23 -16.759 12.502 -5.663 1.00 0.00 C ATOM 324 O PHE A 23 -16.393 11.503 -5.043 1.00 0.00 O ATOM 325 CB PHE A 23 -17.786 12.175 -7.921 1.00 0.00 C ATOM 326 CG PHE A 23 -18.841 13.240 -8.010 1.00 0.00 C ATOM 327 CD1 PHE A 23 -18.511 14.530 -8.395 1.00 0.00 C ATOM 328 CD2 PHE A 23 -20.162 12.952 -7.710 1.00 0.00 C ATOM 329 CE1 PHE A 23 -19.480 15.512 -8.478 1.00 0.00 C ATOM 330 CE2 PHE A 23 -21.136 13.931 -7.790 1.00 0.00 C ATOM 331 CZ PHE A 23 -20.794 15.212 -8.176 1.00 0.00 C ATOM 0 H PHE A 23 -15.561 11.205 -8.374 1.00 0.00 H new ATOM 0 HA PHE A 23 -16.324 13.663 -7.404 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -17.505 11.868 -8.928 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -18.206 11.299 -7.426 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -17.485 14.770 -8.633 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -20.435 11.951 -7.410 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -19.210 16.513 -8.779 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -22.162 13.694 -7.551 1.00 0.00 H new ATOM 0 HZ PHE A 23 -21.553 15.978 -8.242 1.00 0.00 H new ATOM 341 N THR A 24 -17.366 13.531 -5.080 1.00 0.00 N ATOM 342 CA THR A 24 -17.642 13.546 -3.649 1.00 0.00 C ATOM 343 C THR A 24 -18.980 12.884 -3.340 1.00 0.00 C ATOM 344 O THR A 24 -19.901 12.914 -4.155 1.00 0.00 O ATOM 345 CB THR A 24 -17.652 14.982 -3.093 1.00 0.00 C ATOM 346 OG1 THR A 24 -17.709 14.953 -1.663 1.00 0.00 O ATOM 347 CG2 THR A 24 -18.839 15.764 -3.637 1.00 0.00 C ATOM 0 H THR A 24 -17.676 14.366 -5.578 1.00 0.00 H new ATOM 0 HA THR A 24 -16.842 12.984 -3.167 1.00 0.00 H new ATOM 0 HB THR A 24 -16.734 15.477 -3.410 1.00 0.00 H new ATOM 0 HG1 THR A 24 -17.436 14.068 -1.343 1.00 0.00 H new ATOM 0 HG21 THR A 24 -18.825 16.775 -3.231 1.00 0.00 H new ATOM 0 HG22 THR A 24 -18.778 15.809 -4.724 1.00 0.00 H new ATOM 0 HG23 THR A 24 -19.765 15.268 -3.346 1.00 0.00 H new ATOM 355 N GLY A 25 -19.080 12.285 -2.157 1.00 0.00 N ATOM 356 CA GLY A 25 -20.310 11.625 -1.762 1.00 0.00 C ATOM 357 C GLY A 25 -20.373 10.185 -2.233 1.00 0.00 C ATOM 358 O GLY A 25 -20.603 9.274 -1.438 1.00 0.00 O ATOM 0 H GLY A 25 -18.331 12.245 -1.466 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -20.401 11.653 -0.676 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -21.160 12.174 -2.168 1.00 0.00 H new ATOM 362 N SER A 26 -20.169 9.980 -3.531 1.00 0.00 N ATOM 363 CA SER A 26 -20.209 8.642 -4.108 1.00 0.00 C ATOM 364 C SER A 26 -19.123 7.757 -3.505 1.00 0.00 C ATOM 365 O SER A 26 -18.042 8.232 -3.157 1.00 0.00 O ATOM 366 CB SER A 26 -20.039 8.713 -5.627 1.00 0.00 C ATOM 367 OG SER A 26 -20.182 7.433 -6.217 1.00 0.00 O ATOM 0 H SER A 26 -19.975 10.723 -4.202 1.00 0.00 H new ATOM 0 HA SER A 26 -21.180 8.204 -3.878 1.00 0.00 H new ATOM 0 HB2 SER A 26 -20.778 9.395 -6.047 1.00 0.00 H new ATOM 0 HB3 SER A 26 -19.057 9.120 -5.867 1.00 0.00 H new ATOM 0 HG SER A 26 -20.071 7.506 -7.188 1.00 0.00 H new ATOM 373 N ALA A 27 -19.418 6.467 -3.383 1.00 0.00 N ATOM 374 CA ALA A 27 -18.467 5.514 -2.824 1.00 0.00 C ATOM 375 C ALA A 27 -17.550 4.955 -3.906 1.00 0.00 C ATOM 376 O ALA A 27 -18.010 4.541 -4.971 1.00 0.00 O ATOM 377 CB ALA A 27 -19.204 4.386 -2.118 1.00 0.00 C ATOM 0 H ALA A 27 -20.309 6.058 -3.664 1.00 0.00 H new ATOM 0 HA ALA A 27 -17.848 6.039 -2.097 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -18.482 3.682 -1.705 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -19.812 4.797 -1.312 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -19.848 3.870 -2.830 1.00 0.00 H new ATOM 383 N HIS A 28 -16.250 4.945 -3.627 1.00 0.00 N ATOM 384 CA HIS A 28 -15.268 4.436 -4.578 1.00 0.00 C ATOM 385 C HIS A 28 -14.914 2.985 -4.268 1.00 0.00 C ATOM 386 O HIS A 28 -15.204 2.483 -3.181 1.00 0.00 O ATOM 387 CB HIS A 28 -14.006 5.298 -4.551 1.00 0.00 C ATOM 388 CG HIS A 28 -14.273 6.741 -4.250 1.00 0.00 C ATOM 389 ND1 HIS A 28 -13.424 7.522 -3.494 1.00 0.00 N ATOM 390 CD2 HIS A 28 -15.301 7.545 -4.608 1.00 0.00 C ATOM 391 CE1 HIS A 28 -13.919 8.743 -3.399 1.00 0.00 C ATOM 392 NE2 HIS A 28 -15.058 8.783 -4.068 1.00 0.00 N ATOM 0 H HIS A 28 -15.853 5.283 -2.751 1.00 0.00 H new ATOM 0 HA HIS A 28 -15.707 4.480 -5.575 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -13.320 4.900 -3.803 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -13.504 5.223 -5.516 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -12.550 7.206 -3.074 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -16.154 7.264 -5.207 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -13.470 9.568 -2.866 1.00 0.00 H new ATOM 400 N CYS A 29 -14.286 2.316 -5.229 1.00 0.00 N ATOM 401 CA CYS A 29 -13.893 0.921 -5.059 1.00 0.00 C ATOM 402 C CYS A 29 -12.464 0.696 -5.541 1.00 0.00 C ATOM 403 O CYS A 29 -12.126 1.013 -6.682 1.00 0.00 O ATOM 404 CB CYS A 29 -14.851 0.004 -5.819 1.00 0.00 C ATOM 405 SG CYS A 29 -14.905 0.306 -7.601 1.00 0.00 S ATOM 0 H CYS A 29 -14.038 2.717 -6.134 1.00 0.00 H new ATOM 0 HA CYS A 29 -13.940 0.683 -3.996 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -14.559 -1.032 -5.646 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -15.854 0.126 -5.410 1.00 0.00 H new ATOM 0 HG CYS A 29 -13.742 0.723 -8.006 1.00 0.00 H new ATOM 411 N TYR A 30 -11.628 0.150 -4.665 1.00 0.00 N ATOM 412 CA TYR A 30 -10.234 -0.114 -5.000 1.00 0.00 C ATOM 413 C TYR A 30 -9.770 -1.437 -4.399 1.00 0.00 C ATOM 414 O TYR A 30 -10.514 -2.096 -3.673 1.00 0.00 O ATOM 415 CB TYR A 30 -9.344 1.026 -4.502 1.00 0.00 C ATOM 416 CG TYR A 30 -9.835 2.398 -4.905 1.00 0.00 C ATOM 417 CD1 TYR A 30 -9.757 2.826 -6.224 1.00 0.00 C ATOM 418 CD2 TYR A 30 -10.378 3.266 -3.965 1.00 0.00 C ATOM 419 CE1 TYR A 30 -10.204 4.079 -6.596 1.00 0.00 C ATOM 420 CE2 TYR A 30 -10.829 4.520 -4.328 1.00 0.00 C ATOM 421 CZ TYR A 30 -10.739 4.923 -5.644 1.00 0.00 C ATOM 422 OH TYR A 30 -11.187 6.171 -6.011 1.00 0.00 O ATOM 0 H TYR A 30 -11.892 -0.118 -3.717 1.00 0.00 H new ATOM 0 HA TYR A 30 -10.154 -0.182 -6.085 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -9.280 0.977 -3.415 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -8.335 0.883 -4.888 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -9.340 2.168 -6.972 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -10.448 2.955 -2.933 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -10.135 4.396 -7.626 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -11.250 5.182 -3.585 1.00 0.00 H new ATOM 0 HH TYR A 30 -11.781 6.090 -6.786 1.00 0.00 H new ATOM 432 N GLU A 31 -8.534 -1.818 -4.706 1.00 0.00 N ATOM 433 CA GLU A 31 -7.970 -3.062 -4.196 1.00 0.00 C ATOM 434 C GLU A 31 -6.458 -2.946 -4.029 1.00 0.00 C ATOM 435 O GLU A 31 -5.766 -2.413 -4.896 1.00 0.00 O ATOM 436 CB GLU A 31 -8.302 -4.222 -5.137 1.00 0.00 C ATOM 437 CG GLU A 31 -7.922 -5.584 -4.582 1.00 0.00 C ATOM 438 CD GLU A 31 -8.508 -6.727 -5.389 1.00 0.00 C ATOM 439 OE1 GLU A 31 -8.345 -6.722 -6.627 1.00 0.00 O ATOM 440 OE2 GLU A 31 -9.128 -7.626 -4.782 1.00 0.00 O ATOM 0 H GLU A 31 -7.905 -1.283 -5.305 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.412 -3.257 -3.219 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.371 -4.211 -5.350 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.786 -4.069 -6.085 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.836 -5.675 -4.565 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.264 -5.660 -3.550 1.00 0.00 H new ATOM 447 N ALA A 32 -5.952 -3.447 -2.907 1.00 0.00 N ATOM 448 CA ALA A 32 -4.523 -3.401 -2.625 1.00 0.00 C ATOM 449 C ALA A 32 -3.987 -4.786 -2.277 1.00 0.00 C ATOM 450 O ALA A 32 -4.450 -5.421 -1.330 1.00 0.00 O ATOM 451 CB ALA A 32 -4.239 -2.424 -1.494 1.00 0.00 C ATOM 0 H ALA A 32 -6.511 -3.890 -2.178 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.012 -3.057 -3.524 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.168 -2.400 -1.294 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.577 -1.428 -1.780 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.768 -2.743 -0.596 1.00 0.00 H new ATOM 457 N ILE A 33 -3.009 -5.248 -3.049 1.00 0.00 N ATOM 458 CA ILE A 33 -2.410 -6.557 -2.822 1.00 0.00 C ATOM 459 C ILE A 33 -1.142 -6.443 -1.983 1.00 0.00 C ATOM 460 O ILE A 33 -0.259 -5.638 -2.279 1.00 0.00 O ATOM 461 CB ILE A 33 -2.073 -7.260 -4.150 1.00 0.00 C ATOM 462 CG1 ILE A 33 -3.118 -6.918 -5.213 1.00 0.00 C ATOM 463 CG2 ILE A 33 -1.990 -8.766 -3.945 1.00 0.00 C ATOM 464 CD1 ILE A 33 -4.543 -7.066 -4.729 1.00 0.00 C ATOM 0 H ILE A 33 -2.615 -4.735 -3.837 1.00 0.00 H new ATOM 0 HA ILE A 33 -3.147 -7.152 -2.283 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.102 -6.906 -4.496 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.961 -5.893 -5.548 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.968 -7.563 -6.079 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.751 -9.250 -4.892 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.212 -8.992 -3.216 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.948 -9.137 -3.580 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -5.230 -6.807 -5.535 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.717 -8.097 -4.421 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.710 -6.401 -3.882 1.00 0.00 H new ATOM 476 N LEU A 34 -1.057 -7.256 -0.935 1.00 0.00 N ATOM 477 CA LEU A 34 0.105 -7.249 -0.053 1.00 0.00 C ATOM 478 C LEU A 34 0.853 -8.576 -0.127 1.00 0.00 C ATOM 479 O LEU A 34 0.320 -9.622 0.246 1.00 0.00 O ATOM 480 CB LEU A 34 -0.326 -6.972 1.388 1.00 0.00 C ATOM 481 CG LEU A 34 0.784 -6.552 2.352 1.00 0.00 C ATOM 482 CD1 LEU A 34 1.236 -5.130 2.058 1.00 0.00 C ATOM 483 CD2 LEU A 34 0.314 -6.677 3.794 1.00 0.00 C ATOM 0 H LEU A 34 -1.779 -7.928 -0.676 1.00 0.00 H new ATOM 0 HA LEU A 34 0.777 -6.456 -0.383 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.084 -6.189 1.375 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.802 -7.870 1.783 1.00 0.00 H new ATOM 0 HG LEU A 34 1.634 -7.219 2.209 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.026 -4.848 2.754 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.614 -5.072 1.037 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.392 -4.449 2.172 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.117 -6.374 4.466 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.553 -6.035 3.951 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.041 -7.712 3.999 1.00 0.00 H new ATOM 495 N TYR A 35 2.090 -8.526 -0.608 1.00 0.00 N ATOM 496 CA TYR A 35 2.911 -9.725 -0.731 1.00 0.00 C ATOM 497 C TYR A 35 3.673 -9.997 0.562 1.00 0.00 C ATOM 498 O TYR A 35 4.443 -9.159 1.030 1.00 0.00 O ATOM 499 CB TYR A 35 3.893 -9.578 -1.894 1.00 0.00 C ATOM 500 CG TYR A 35 3.223 -9.506 -3.248 1.00 0.00 C ATOM 501 CD1 TYR A 35 2.402 -8.436 -3.582 1.00 0.00 C ATOM 502 CD2 TYR A 35 3.409 -10.509 -4.191 1.00 0.00 C ATOM 503 CE1 TYR A 35 1.787 -8.366 -4.817 1.00 0.00 C ATOM 504 CE2 TYR A 35 2.799 -10.446 -5.429 1.00 0.00 C ATOM 505 CZ TYR A 35 1.989 -9.373 -5.737 1.00 0.00 C ATOM 506 OH TYR A 35 1.378 -9.308 -6.969 1.00 0.00 O ATOM 0 H TYR A 35 2.546 -7.668 -0.919 1.00 0.00 H new ATOM 0 HA TYR A 35 2.250 -10.570 -0.927 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.488 -8.677 -1.744 1.00 0.00 H new ATOM 0 HB3 TYR A 35 4.583 -10.421 -1.884 1.00 0.00 H new ATOM 0 HD1 TYR A 35 2.242 -7.645 -2.864 1.00 0.00 H new ATOM 0 HD2 TYR A 35 4.041 -11.352 -3.952 1.00 0.00 H new ATOM 0 HE1 TYR A 35 1.152 -7.527 -5.061 1.00 0.00 H new ATOM 0 HE2 TYR A 35 2.956 -11.233 -6.152 1.00 0.00 H new ATOM 0 HH TYR A 35 1.625 -10.095 -7.499 1.00 0.00 H new ATOM 516 N ASN A 36 3.453 -11.177 1.134 1.00 0.00 N ATOM 517 CA ASN A 36 4.119 -11.562 2.373 1.00 0.00 C ATOM 518 C ASN A 36 5.456 -12.238 2.085 1.00 0.00 C ATOM 519 O ASN A 36 5.503 -13.332 1.522 1.00 0.00 O ATOM 520 CB ASN A 36 3.225 -12.500 3.186 1.00 0.00 C ATOM 521 CG ASN A 36 3.902 -12.991 4.451 1.00 0.00 C ATOM 522 OD1 ASN A 36 4.578 -12.230 5.143 1.00 0.00 O ATOM 523 ND2 ASN A 36 3.724 -14.271 4.758 1.00 0.00 N ATOM 0 H ASN A 36 2.819 -11.883 0.759 1.00 0.00 H new ATOM 0 HA ASN A 36 4.307 -10.658 2.952 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.303 -11.982 3.448 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.946 -13.355 2.571 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.156 -14.659 5.597 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.155 -14.866 4.155 1.00 0.00 H new ATOM 530 N LYS A 37 6.542 -11.580 2.476 1.00 0.00 N ATOM 531 CA LYS A 37 7.881 -12.116 2.262 1.00 0.00 C ATOM 532 C LYS A 37 8.351 -12.907 3.479 1.00 0.00 C ATOM 533 O LYS A 37 9.550 -13.031 3.725 1.00 0.00 O ATOM 534 CB LYS A 37 8.866 -10.983 1.965 1.00 0.00 C ATOM 535 CG LYS A 37 8.718 -10.399 0.571 1.00 0.00 C ATOM 536 CD LYS A 37 8.740 -11.483 -0.493 1.00 0.00 C ATOM 537 CE LYS A 37 7.337 -11.967 -0.825 1.00 0.00 C ATOM 538 NZ LYS A 37 6.735 -11.196 -1.947 1.00 0.00 N ATOM 0 H LYS A 37 6.521 -10.674 2.943 1.00 0.00 H new ATOM 0 HA LYS A 37 7.843 -12.789 1.405 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.726 -10.189 2.699 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.883 -11.355 2.088 1.00 0.00 H new ATOM 0 HG2 LYS A 37 7.783 -9.843 0.506 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.524 -9.689 0.385 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.217 -11.099 -1.395 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.343 -12.322 -0.146 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.370 -13.024 -1.088 1.00 0.00 H new ATOM 0 HE3 LYS A 37 6.704 -11.878 0.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.914 -11.712 -2.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 6.430 -10.263 -1.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 7.440 -11.073 -2.701 1.00 0.00 H new ATOM 552 N GLY A 38 7.397 -13.441 4.237 1.00 0.00 N ATOM 553 CA GLY A 38 7.734 -14.214 5.418 1.00 0.00 C ATOM 554 C GLY A 38 7.763 -15.705 5.146 1.00 0.00 C ATOM 555 O GLY A 38 7.100 -16.188 4.229 1.00 0.00 O ATOM 0 H GLY A 38 6.398 -13.352 4.054 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.708 -13.897 5.790 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.009 -14.005 6.204 1.00 0.00 H new ATOM 559 N SER A 39 8.534 -16.435 5.945 1.00 0.00 N ATOM 560 CA SER A 39 8.651 -17.880 5.783 1.00 0.00 C ATOM 561 C SER A 39 7.372 -18.582 6.228 1.00 0.00 C ATOM 562 O SER A 39 7.027 -19.648 5.719 1.00 0.00 O ATOM 563 CB SER A 39 9.842 -18.409 6.584 1.00 0.00 C ATOM 564 OG SER A 39 10.330 -19.620 6.032 1.00 0.00 O ATOM 0 H SER A 39 9.087 -16.050 6.711 1.00 0.00 H new ATOM 0 HA SER A 39 8.811 -18.091 4.726 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.637 -17.664 6.594 1.00 0.00 H new ATOM 0 HB3 SER A 39 9.544 -18.572 7.620 1.00 0.00 H new ATOM 0 HG SER A 39 11.092 -19.937 6.561 1.00 0.00 H new ATOM 570 N ILE A 40 6.673 -17.975 7.182 1.00 0.00 N ATOM 571 CA ILE A 40 5.431 -18.541 7.696 1.00 0.00 C ATOM 572 C ILE A 40 4.341 -17.479 7.790 1.00 0.00 C ATOM 573 O ILE A 40 4.552 -16.324 7.419 1.00 0.00 O ATOM 574 CB ILE A 40 5.634 -19.178 9.083 1.00 0.00 C ATOM 575 CG1 ILE A 40 6.018 -18.108 10.108 1.00 0.00 C ATOM 576 CG2 ILE A 40 6.699 -20.262 9.017 1.00 0.00 C ATOM 577 CD1 ILE A 40 5.908 -18.578 11.541 1.00 0.00 C ATOM 0 H ILE A 40 6.945 -17.092 7.614 1.00 0.00 H new ATOM 0 HA ILE A 40 5.121 -19.314 6.993 1.00 0.00 H new ATOM 0 HB ILE A 40 4.696 -19.636 9.397 1.00 0.00 H new ATOM 0 HG12 ILE A 40 7.041 -17.785 9.918 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.377 -17.237 9.969 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.831 -20.703 10.005 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.389 -21.035 8.313 1.00 0.00 H new ATOM 0 HG23 ILE A 40 7.641 -19.826 8.685 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.195 -17.769 12.212 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.880 -18.874 11.749 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.570 -19.430 11.696 1.00 0.00 H new ATOM 589 N ASP A 41 3.177 -17.877 8.291 1.00 0.00 N ATOM 590 CA ASP A 41 2.054 -16.959 8.439 1.00 0.00 C ATOM 591 C ASP A 41 2.514 -15.626 9.020 1.00 0.00 C ATOM 592 O ASP A 41 3.217 -15.587 10.029 1.00 0.00 O ATOM 593 CB ASP A 41 0.978 -17.575 9.333 1.00 0.00 C ATOM 594 CG ASP A 41 0.047 -18.496 8.569 1.00 0.00 C ATOM 595 OD1 ASP A 41 -0.469 -18.074 7.513 1.00 0.00 O ATOM 596 OD2 ASP A 41 -0.167 -19.638 9.027 1.00 0.00 O ATOM 0 H ASP A 41 2.986 -18.830 8.602 1.00 0.00 H new ATOM 0 HA ASP A 41 1.633 -16.778 7.450 1.00 0.00 H new ATOM 0 HB2 ASP A 41 1.455 -18.133 10.139 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.396 -16.779 9.797 1.00 0.00 H new ATOM 601 N ALA A 42 2.114 -14.535 8.375 1.00 0.00 N ATOM 602 CA ALA A 42 2.484 -13.200 8.829 1.00 0.00 C ATOM 603 C ALA A 42 1.256 -12.407 9.263 1.00 0.00 C ATOM 604 O ALA A 42 0.306 -12.245 8.496 1.00 0.00 O ATOM 605 CB ALA A 42 3.233 -12.458 7.732 1.00 0.00 C ATOM 0 H ALA A 42 1.534 -14.549 7.536 1.00 0.00 H new ATOM 0 HA ALA A 42 3.139 -13.306 9.694 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.503 -11.463 8.085 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.137 -13.009 7.472 1.00 0.00 H new ATOM 0 HB3 ALA A 42 2.596 -12.370 6.852 1.00 0.00 H new ATOM 611 N LEU A 43 1.281 -11.916 10.497 1.00 0.00 N ATOM 612 CA LEU A 43 0.169 -11.140 11.034 1.00 0.00 C ATOM 613 C LEU A 43 0.197 -9.710 10.505 1.00 0.00 C ATOM 614 O LEU A 43 1.265 -9.146 10.266 1.00 0.00 O ATOM 615 CB LEU A 43 0.219 -11.131 12.563 1.00 0.00 C ATOM 616 CG LEU A 43 -0.197 -12.429 13.256 1.00 0.00 C ATOM 617 CD1 LEU A 43 0.975 -13.396 13.325 1.00 0.00 C ATOM 618 CD2 LEU A 43 -0.735 -12.141 14.650 1.00 0.00 C ATOM 0 H LEU A 43 2.059 -12.041 11.144 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.760 -11.610 10.709 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.236 -10.887 12.872 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.424 -10.328 12.923 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.991 -12.893 12.670 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.660 -14.314 13.821 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.316 -13.627 12.316 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.790 -12.940 13.887 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.026 -13.076 15.128 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.038 -11.655 15.245 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.603 -11.486 14.577 1.00 0.00 H new ATOM 630 N PHE A 44 -0.984 -9.127 10.325 1.00 0.00 N ATOM 631 CA PHE A 44 -1.095 -7.762 9.825 1.00 0.00 C ATOM 632 C PHE A 44 -2.394 -7.114 10.297 1.00 0.00 C ATOM 633 O PHE A 44 -3.395 -7.795 10.517 1.00 0.00 O ATOM 634 CB PHE A 44 -1.031 -7.749 8.297 1.00 0.00 C ATOM 635 CG PHE A 44 -2.334 -8.107 7.639 1.00 0.00 C ATOM 636 CD1 PHE A 44 -3.284 -7.133 7.378 1.00 0.00 C ATOM 637 CD2 PHE A 44 -2.607 -9.417 7.282 1.00 0.00 C ATOM 638 CE1 PHE A 44 -4.483 -7.460 6.774 1.00 0.00 C ATOM 639 CE2 PHE A 44 -3.805 -9.750 6.677 1.00 0.00 C ATOM 640 CZ PHE A 44 -4.743 -8.770 6.422 1.00 0.00 C ATOM 0 H PHE A 44 -1.878 -9.579 10.518 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.258 -7.187 10.221 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.725 -6.758 7.963 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.263 -8.448 7.968 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.085 -6.107 7.650 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -1.876 -10.187 7.478 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -5.216 -6.692 6.577 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.006 -10.775 6.404 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.679 -9.027 5.948 1.00 0.00 H new ATOM 650 N ASN A 45 -2.369 -5.794 10.449 1.00 0.00 N ATOM 651 CA ASN A 45 -3.543 -5.053 10.895 1.00 0.00 C ATOM 652 C ASN A 45 -3.392 -3.564 10.599 1.00 0.00 C ATOM 653 O ASN A 45 -2.392 -2.947 10.966 1.00 0.00 O ATOM 654 CB ASN A 45 -3.768 -5.267 12.393 1.00 0.00 C ATOM 655 CG ASN A 45 -2.466 -5.352 13.167 1.00 0.00 C ATOM 656 OD1 ASN A 45 -1.397 -5.038 12.642 1.00 0.00 O ATOM 657 ND2 ASN A 45 -2.550 -5.778 14.421 1.00 0.00 N ATOM 0 H ASN A 45 -1.548 -5.215 10.270 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.408 -5.428 10.347 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.369 -4.448 12.788 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -4.338 -6.183 12.545 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.707 -5.856 14.991 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.457 -6.027 14.815 1.00 0.00 H new ATOM 664 N MET A 46 -4.391 -2.994 9.934 1.00 0.00 N ATOM 665 CA MET A 46 -4.370 -1.577 9.591 1.00 0.00 C ATOM 666 C MET A 46 -4.603 -0.714 10.827 1.00 0.00 C ATOM 667 O MET A 46 -5.436 -1.038 11.675 1.00 0.00 O ATOM 668 CB MET A 46 -5.432 -1.271 8.533 1.00 0.00 C ATOM 669 CG MET A 46 -5.327 -2.146 7.295 1.00 0.00 C ATOM 670 SD MET A 46 -3.921 -1.709 6.253 1.00 0.00 S ATOM 671 CE MET A 46 -4.372 -0.049 5.754 1.00 0.00 C ATOM 0 H MET A 46 -5.225 -3.491 9.622 1.00 0.00 H new ATOM 0 HA MET A 46 -3.386 -1.341 9.186 1.00 0.00 H new ATOM 0 HB2 MET A 46 -6.420 -1.398 8.975 1.00 0.00 H new ATOM 0 HB3 MET A 46 -5.347 -0.225 8.237 1.00 0.00 H new ATOM 0 HG2 MET A 46 -5.239 -3.189 7.598 1.00 0.00 H new ATOM 0 HG3 MET A 46 -6.245 -2.059 6.714 1.00 0.00 H new ATOM 0 HE1 MET A 46 -4.232 0.058 4.678 1.00 0.00 H new ATOM 0 HE2 MET A 46 -5.417 0.135 6.004 1.00 0.00 H new ATOM 0 HE3 MET A 46 -3.742 0.672 6.276 1.00 0.00 H new ATOM 681 N THR A 47 -3.862 0.385 10.924 1.00 0.00 N ATOM 682 CA THR A 47 -3.987 1.293 12.058 1.00 0.00 C ATOM 683 C THR A 47 -5.067 2.339 11.807 1.00 0.00 C ATOM 684 O THR A 47 -5.224 2.852 10.699 1.00 0.00 O ATOM 685 CB THR A 47 -2.655 2.007 12.355 1.00 0.00 C ATOM 686 OG1 THR A 47 -2.601 2.390 13.734 1.00 0.00 O ATOM 687 CG2 THR A 47 -2.493 3.238 11.475 1.00 0.00 C ATOM 0 H THR A 47 -3.169 0.668 10.231 1.00 0.00 H new ATOM 0 HA THR A 47 -4.265 0.687 12.920 1.00 0.00 H new ATOM 0 HB THR A 47 -1.841 1.315 12.138 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.750 2.842 13.915 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.545 3.726 11.703 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.505 2.940 10.427 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.313 3.931 11.665 1.00 0.00 H new ATOM 695 N PRO A 48 -5.830 2.667 12.860 1.00 0.00 N ATOM 696 CA PRO A 48 -6.908 3.657 12.779 1.00 0.00 C ATOM 697 C PRO A 48 -6.380 5.076 12.597 1.00 0.00 C ATOM 698 O PRO A 48 -5.523 5.546 13.346 1.00 0.00 O ATOM 699 CB PRO A 48 -7.618 3.520 14.129 1.00 0.00 C ATOM 700 CG PRO A 48 -6.579 2.982 15.050 1.00 0.00 C ATOM 701 CD PRO A 48 -5.699 2.096 14.211 1.00 0.00 C ATOM 0 HA PRO A 48 -7.557 3.483 11.921 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -7.996 4.481 14.477 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -8.473 2.847 14.060 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -6.002 3.789 15.502 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -7.034 2.420 15.866 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -4.665 2.113 14.556 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -6.028 1.057 14.242 1.00 0.00 H new ATOM 709 N PRO A 49 -6.901 5.776 11.578 1.00 0.00 N ATOM 710 CA PRO A 49 -6.497 7.152 11.275 1.00 0.00 C ATOM 711 C PRO A 49 -6.976 8.143 12.330 1.00 0.00 C ATOM 712 O PRO A 49 -7.781 7.802 13.198 1.00 0.00 O ATOM 713 CB PRO A 49 -7.175 7.432 9.931 1.00 0.00 C ATOM 714 CG PRO A 49 -8.347 6.514 9.899 1.00 0.00 C ATOM 715 CD PRO A 49 -7.926 5.278 10.645 1.00 0.00 C ATOM 0 HA PRO A 49 -5.413 7.263 11.253 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.486 8.474 9.854 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.498 7.239 9.099 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.217 6.975 10.367 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.627 6.274 8.873 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -8.764 4.823 11.174 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -7.524 4.520 9.973 1.00 0.00 H new ATOM 723 N THR A 50 -6.477 9.372 12.251 1.00 0.00 N ATOM 724 CA THR A 50 -6.853 10.413 13.199 1.00 0.00 C ATOM 725 C THR A 50 -7.545 11.575 12.495 1.00 0.00 C ATOM 726 O THR A 50 -8.148 12.433 13.139 1.00 0.00 O ATOM 727 CB THR A 50 -5.627 10.947 13.963 1.00 0.00 C ATOM 728 OG1 THR A 50 -4.827 9.855 14.430 1.00 0.00 O ATOM 729 CG2 THR A 50 -6.057 11.808 15.141 1.00 0.00 C ATOM 0 H THR A 50 -5.811 9.671 11.539 1.00 0.00 H new ATOM 0 HA THR A 50 -7.544 9.959 13.909 1.00 0.00 H new ATOM 0 HB THR A 50 -5.040 11.561 13.280 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.049 10.203 14.913 1.00 0.00 H new ATOM 0 HG21 THR A 50 -5.174 12.174 15.666 1.00 0.00 H new ATOM 0 HG22 THR A 50 -6.641 12.654 14.779 1.00 0.00 H new ATOM 0 HG23 THR A 50 -6.664 11.214 15.824 1.00 0.00 H new ATOM 737 N SER A 51 -7.453 11.596 11.169 1.00 0.00 N ATOM 738 CA SER A 51 -8.067 12.655 10.377 1.00 0.00 C ATOM 739 C SER A 51 -9.339 12.157 9.697 1.00 0.00 C ATOM 740 O SER A 51 -9.328 11.141 9.003 1.00 0.00 O ATOM 741 CB SER A 51 -7.083 13.172 9.326 1.00 0.00 C ATOM 742 OG SER A 51 -7.619 14.283 8.628 1.00 0.00 O ATOM 0 H SER A 51 -6.959 10.892 10.621 1.00 0.00 H new ATOM 0 HA SER A 51 -8.330 13.471 11.050 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.148 13.458 9.808 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.847 12.375 8.621 1.00 0.00 H new ATOM 0 HG SER A 51 -6.970 14.596 7.963 1.00 0.00 H new ATOM 748 N ALA A 52 -10.435 12.881 9.903 1.00 0.00 N ATOM 749 CA ALA A 52 -11.715 12.515 9.310 1.00 0.00 C ATOM 750 C ALA A 52 -11.526 11.937 7.911 1.00 0.00 C ATOM 751 O ALA A 52 -12.188 10.970 7.533 1.00 0.00 O ATOM 752 CB ALA A 52 -12.640 13.722 9.264 1.00 0.00 C ATOM 0 H ALA A 52 -10.461 13.724 10.476 1.00 0.00 H new ATOM 0 HA ALA A 52 -12.170 11.746 9.934 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -13.592 13.434 8.819 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -12.809 14.090 10.276 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -12.182 14.509 8.664 1.00 0.00 H new ATOM 758 N LEU A 53 -10.620 12.536 7.146 1.00 0.00 N ATOM 759 CA LEU A 53 -10.344 12.081 5.788 1.00 0.00 C ATOM 760 C LEU A 53 -9.895 10.624 5.782 1.00 0.00 C ATOM 761 O LEU A 53 -10.375 9.818 4.986 1.00 0.00 O ATOM 762 CB LEU A 53 -9.271 12.960 5.143 1.00 0.00 C ATOM 763 CG LEU A 53 -9.349 13.107 3.623 1.00 0.00 C ATOM 764 CD1 LEU A 53 -9.724 11.783 2.976 1.00 0.00 C ATOM 765 CD2 LEU A 53 -10.348 14.190 3.242 1.00 0.00 C ATOM 0 H LEU A 53 -10.064 13.338 7.443 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.265 12.160 5.211 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.328 13.954 5.588 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -8.293 12.552 5.399 1.00 0.00 H new ATOM 0 HG LEU A 53 -8.366 13.401 3.256 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.775 11.908 1.894 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.972 11.033 3.220 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -10.695 11.458 3.349 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -10.390 14.281 2.157 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -11.334 13.925 3.623 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.036 15.141 3.674 1.00 0.00 H new ATOM 777 N GLY A 54 -8.970 10.291 6.678 1.00 0.00 N ATOM 778 CA GLY A 54 -8.473 8.930 6.761 1.00 0.00 C ATOM 779 C GLY A 54 -9.513 7.964 7.294 1.00 0.00 C ATOM 780 O GLY A 54 -9.595 6.821 6.847 1.00 0.00 O ATOM 0 H GLY A 54 -8.556 10.940 7.348 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -8.151 8.603 5.772 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -7.595 8.906 7.406 1.00 0.00 H new ATOM 784 N ALA A 55 -10.308 8.424 8.255 1.00 0.00 N ATOM 785 CA ALA A 55 -11.347 7.593 8.849 1.00 0.00 C ATOM 786 C ALA A 55 -12.340 7.117 7.794 1.00 0.00 C ATOM 787 O ALA A 55 -12.850 5.998 7.869 1.00 0.00 O ATOM 788 CB ALA A 55 -12.069 8.357 9.949 1.00 0.00 C ATOM 0 H ALA A 55 -10.252 9.368 8.638 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.870 6.715 9.284 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -12.843 7.724 10.384 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.356 8.642 10.722 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.527 9.253 9.530 1.00 0.00 H new ATOM 794 N CYS A 56 -12.609 7.972 6.814 1.00 0.00 N ATOM 795 CA CYS A 56 -13.543 7.638 5.744 1.00 0.00 C ATOM 796 C CYS A 56 -13.129 6.348 5.044 1.00 0.00 C ATOM 797 O CYS A 56 -13.974 5.538 4.660 1.00 0.00 O ATOM 798 CB CYS A 56 -13.619 8.781 4.731 1.00 0.00 C ATOM 799 SG CYS A 56 -14.421 10.274 5.361 1.00 0.00 S ATOM 0 H CYS A 56 -12.194 8.901 6.738 1.00 0.00 H new ATOM 0 HA CYS A 56 -14.528 7.489 6.187 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -12.609 9.033 4.407 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -14.159 8.436 3.850 1.00 0.00 H new ATOM 0 HG CYS A 56 -13.704 10.780 6.321 1.00 0.00 H new ATOM 805 N PHE A 57 -11.823 6.164 4.878 1.00 0.00 N ATOM 806 CA PHE A 57 -11.296 4.973 4.221 1.00 0.00 C ATOM 807 C PHE A 57 -11.549 3.728 5.067 1.00 0.00 C ATOM 808 O PHE A 57 -11.239 3.700 6.258 1.00 0.00 O ATOM 809 CB PHE A 57 -9.797 5.130 3.960 1.00 0.00 C ATOM 810 CG PHE A 57 -9.481 6.074 2.835 1.00 0.00 C ATOM 811 CD1 PHE A 57 -9.489 7.444 3.039 1.00 0.00 C ATOM 812 CD2 PHE A 57 -9.174 5.590 1.573 1.00 0.00 C ATOM 813 CE1 PHE A 57 -9.199 8.314 2.005 1.00 0.00 C ATOM 814 CE2 PHE A 57 -8.882 6.455 0.535 1.00 0.00 C ATOM 815 CZ PHE A 57 -8.894 7.819 0.752 1.00 0.00 C ATOM 0 H PHE A 57 -11.110 6.824 5.189 1.00 0.00 H new ATOM 0 HA PHE A 57 -11.813 4.855 3.269 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -9.313 5.486 4.869 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -9.371 4.152 3.734 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -9.725 7.837 4.017 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -9.163 4.524 1.399 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -9.211 9.380 2.177 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -8.645 6.065 -0.444 1.00 0.00 H new ATOM 0 HZ PHE A 57 -8.665 8.497 -0.057 1.00 0.00 H new ATOM 825 N VAL A 58 -12.114 2.700 4.442 1.00 0.00 N ATOM 826 CA VAL A 58 -12.408 1.452 5.136 1.00 0.00 C ATOM 827 C VAL A 58 -11.542 0.313 4.610 1.00 0.00 C ATOM 828 O VAL A 58 -11.867 -0.313 3.600 1.00 0.00 O ATOM 829 CB VAL A 58 -13.892 1.064 4.989 1.00 0.00 C ATOM 830 CG1 VAL A 58 -14.181 -0.232 5.731 1.00 0.00 C ATOM 831 CG2 VAL A 58 -14.787 2.186 5.491 1.00 0.00 C ATOM 0 H VAL A 58 -12.377 2.707 3.457 1.00 0.00 H new ATOM 0 HA VAL A 58 -12.186 1.616 6.190 1.00 0.00 H new ATOM 0 HB VAL A 58 -14.105 0.905 3.932 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -15.234 -0.490 5.616 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -13.564 -1.032 5.320 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -13.952 -0.104 6.789 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -15.832 1.895 5.380 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -14.574 2.379 6.542 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -14.598 3.089 4.911 1.00 0.00 H new ATOM 841 N PHE A 59 -10.438 0.049 5.300 1.00 0.00 N ATOM 842 CA PHE A 59 -9.523 -1.015 4.902 1.00 0.00 C ATOM 843 C PHE A 59 -9.928 -2.344 5.533 1.00 0.00 C ATOM 844 O PHE A 59 -10.241 -2.410 6.722 1.00 0.00 O ATOM 845 CB PHE A 59 -8.090 -0.662 5.306 1.00 0.00 C ATOM 846 CG PHE A 59 -7.475 0.413 4.455 1.00 0.00 C ATOM 847 CD1 PHE A 59 -7.776 1.747 4.677 1.00 0.00 C ATOM 848 CD2 PHE A 59 -6.597 0.089 3.434 1.00 0.00 C ATOM 849 CE1 PHE A 59 -7.212 2.738 3.895 1.00 0.00 C ATOM 850 CE2 PHE A 59 -6.030 1.075 2.649 1.00 0.00 C ATOM 851 CZ PHE A 59 -6.337 2.401 2.881 1.00 0.00 C ATOM 0 H PHE A 59 -10.155 0.557 6.138 1.00 0.00 H new ATOM 0 HA PHE A 59 -9.573 -1.117 3.818 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -8.084 -0.339 6.347 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -7.473 -1.559 5.247 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -8.459 2.016 5.470 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.353 -0.947 3.249 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -7.455 3.774 4.077 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.348 0.809 1.855 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.894 3.174 2.270 1.00 0.00 H new ATOM 861 N SER A 60 -9.920 -3.401 4.727 1.00 0.00 N ATOM 862 CA SER A 60 -10.291 -4.729 5.203 1.00 0.00 C ATOM 863 C SER A 60 -9.532 -5.811 4.442 1.00 0.00 C ATOM 864 O SER A 60 -9.064 -5.605 3.321 1.00 0.00 O ATOM 865 CB SER A 60 -11.798 -4.945 5.054 1.00 0.00 C ATOM 866 OG SER A 60 -12.496 -4.484 6.197 1.00 0.00 O ATOM 0 H SER A 60 -9.661 -3.364 3.741 1.00 0.00 H new ATOM 0 HA SER A 60 -10.024 -4.797 6.258 1.00 0.00 H new ATOM 0 HB2 SER A 60 -12.158 -4.421 4.169 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.003 -6.005 4.902 1.00 0.00 H new ATOM 0 HG SER A 60 -11.996 -3.750 6.612 1.00 0.00 H new ATOM 872 N PRO A 61 -9.406 -6.993 5.063 1.00 0.00 N ATOM 873 CA PRO A 61 -9.958 -7.249 6.397 1.00 0.00 C ATOM 874 C PRO A 61 -9.215 -6.485 7.488 1.00 0.00 C ATOM 875 O PRO A 61 -7.985 -6.455 7.511 1.00 0.00 O ATOM 876 CB PRO A 61 -9.768 -8.757 6.576 1.00 0.00 C ATOM 877 CG PRO A 61 -8.622 -9.102 5.688 1.00 0.00 C ATOM 878 CD PRO A 61 -8.714 -8.170 4.512 1.00 0.00 C ATOM 0 HA PRO A 61 -10.995 -6.924 6.478 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.554 -9.009 7.615 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -10.667 -9.306 6.294 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.673 -8.979 6.210 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.677 -10.142 5.367 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.728 -7.912 4.126 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.272 -8.616 3.689 1.00 0.00 H new ATOM 886 N LYS A 62 -9.971 -5.869 8.391 1.00 0.00 N ATOM 887 CA LYS A 62 -9.385 -5.107 9.487 1.00 0.00 C ATOM 888 C LYS A 62 -8.082 -5.744 9.958 1.00 0.00 C ATOM 889 O LYS A 62 -7.161 -5.050 10.387 1.00 0.00 O ATOM 890 CB LYS A 62 -10.370 -5.012 10.654 1.00 0.00 C ATOM 891 CG LYS A 62 -10.813 -6.364 11.187 1.00 0.00 C ATOM 892 CD LYS A 62 -11.616 -6.222 12.469 1.00 0.00 C ATOM 893 CE LYS A 62 -13.080 -5.928 12.181 1.00 0.00 C ATOM 894 NZ LYS A 62 -13.280 -4.534 11.696 1.00 0.00 N ATOM 0 H LYS A 62 -10.991 -5.883 8.385 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.166 -4.104 9.122 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -9.909 -4.445 11.463 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -11.248 -4.452 10.333 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -11.415 -6.873 10.434 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.938 -6.988 11.372 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -11.536 -7.139 13.053 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -11.195 -5.420 13.076 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -13.451 -6.629 11.434 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -13.667 -6.086 13.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -14.177 -4.162 12.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -12.495 -3.936 12.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -13.307 -4.529 10.656 1.00 0.00 H new ATOM 908 N GLU A 63 -8.012 -7.069 9.874 1.00 0.00 N ATOM 909 CA GLU A 63 -6.821 -7.799 10.292 1.00 0.00 C ATOM 910 C GLU A 63 -6.918 -9.270 9.899 1.00 0.00 C ATOM 911 O GLU A 63 -8.011 -9.829 9.809 1.00 0.00 O ATOM 912 CB GLU A 63 -6.625 -7.676 11.805 1.00 0.00 C ATOM 913 CG GLU A 63 -7.487 -8.633 12.610 1.00 0.00 C ATOM 914 CD GLU A 63 -7.430 -8.357 14.100 1.00 0.00 C ATOM 915 OE1 GLU A 63 -6.369 -8.607 14.710 1.00 0.00 O ATOM 916 OE2 GLU A 63 -8.446 -7.891 14.656 1.00 0.00 O ATOM 0 H GLU A 63 -8.766 -7.658 9.520 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.961 -7.361 9.784 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.577 -7.857 12.043 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.849 -6.654 12.110 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.520 -8.559 12.270 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -7.161 -9.656 12.421 1.00 0.00 H new ATOM 923 N GLY A 64 -5.767 -9.892 9.665 1.00 0.00 N ATOM 924 CA GLY A 64 -5.743 -11.292 9.283 1.00 0.00 C ATOM 925 C GLY A 64 -4.334 -11.819 9.098 1.00 0.00 C ATOM 926 O GLY A 64 -3.378 -11.253 9.629 1.00 0.00 O ATOM 0 H GLY A 64 -4.850 -9.451 9.733 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -6.251 -11.882 10.046 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.301 -11.422 8.356 1.00 0.00 H new ATOM 930 N ILE A 65 -4.205 -12.906 8.346 1.00 0.00 N ATOM 931 CA ILE A 65 -2.902 -13.510 8.093 1.00 0.00 C ATOM 932 C ILE A 65 -2.622 -13.607 6.598 1.00 0.00 C ATOM 933 O ILE A 65 -3.543 -13.740 5.791 1.00 0.00 O ATOM 934 CB ILE A 65 -2.803 -14.915 8.715 1.00 0.00 C ATOM 935 CG1 ILE A 65 -3.216 -14.875 10.188 1.00 0.00 C ATOM 936 CG2 ILE A 65 -1.390 -15.460 8.570 1.00 0.00 C ATOM 937 CD1 ILE A 65 -2.380 -13.931 11.024 1.00 0.00 C ATOM 0 H ILE A 65 -4.987 -13.387 7.901 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.158 -12.863 8.558 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.484 -15.580 8.184 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.262 -14.578 10.256 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.142 -15.879 10.605 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -1.336 -16.454 9.014 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.130 -15.521 7.513 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -0.690 -14.797 9.078 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.728 -13.954 12.057 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.335 -14.240 10.987 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.473 -12.918 10.632 1.00 0.00 H new ATOM 949 N ILE A 66 -1.345 -13.540 6.235 1.00 0.00 N ATOM 950 CA ILE A 66 -0.944 -13.623 4.836 1.00 0.00 C ATOM 951 C ILE A 66 0.084 -14.730 4.625 1.00 0.00 C ATOM 952 O ILE A 66 1.257 -14.573 4.963 1.00 0.00 O ATOM 953 CB ILE A 66 -0.356 -12.290 4.339 1.00 0.00 C ATOM 954 CG1 ILE A 66 -1.355 -11.152 4.561 1.00 0.00 C ATOM 955 CG2 ILE A 66 0.020 -12.392 2.868 1.00 0.00 C ATOM 956 CD1 ILE A 66 -0.788 -9.783 4.262 1.00 0.00 C ATOM 0 H ILE A 66 -0.571 -13.429 6.890 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.843 -13.850 4.262 1.00 0.00 H new ATOM 0 HB ILE A 66 0.546 -12.073 4.910 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.229 -11.319 3.932 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.697 -11.177 5.596 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.434 -11.442 2.532 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.763 -13.179 2.736 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.867 -12.629 2.281 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.551 -9.026 4.441 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.069 -9.595 4.909 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.472 -9.740 3.220 1.00 0.00 H new ATOM 968 N GLU A 67 -0.364 -15.847 4.061 1.00 0.00 N ATOM 969 CA GLU A 67 0.518 -16.979 3.803 1.00 0.00 C ATOM 970 C GLU A 67 1.872 -16.506 3.283 1.00 0.00 C ATOM 971 O GLU A 67 1.989 -15.459 2.647 1.00 0.00 O ATOM 972 CB GLU A 67 -0.124 -17.935 2.795 1.00 0.00 C ATOM 973 CG GLU A 67 -0.352 -17.313 1.427 1.00 0.00 C ATOM 974 CD GLU A 67 -0.814 -18.324 0.396 1.00 0.00 C ATOM 975 OE1 GLU A 67 -2.015 -18.665 0.395 1.00 0.00 O ATOM 976 OE2 GLU A 67 0.027 -18.775 -0.410 1.00 0.00 O ATOM 0 H GLU A 67 -1.332 -15.992 3.774 1.00 0.00 H new ATOM 0 HA GLU A 67 0.675 -17.507 4.744 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.512 -18.813 2.684 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.079 -18.280 3.192 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.096 -16.521 1.512 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.572 -16.848 1.085 1.00 0.00 H new ATOM 983 N PRO A 68 2.920 -17.297 3.558 1.00 0.00 N ATOM 984 CA PRO A 68 4.285 -16.980 3.127 1.00 0.00 C ATOM 985 C PRO A 68 4.461 -17.108 1.618 1.00 0.00 C ATOM 986 O PRO A 68 3.936 -18.033 0.998 1.00 0.00 O ATOM 987 CB PRO A 68 5.138 -18.022 3.855 1.00 0.00 C ATOM 988 CG PRO A 68 4.213 -19.165 4.097 1.00 0.00 C ATOM 989 CD PRO A 68 2.853 -18.560 4.311 1.00 0.00 C ATOM 0 HA PRO A 68 4.556 -15.950 3.358 1.00 0.00 H new ATOM 0 HB2 PRO A 68 5.993 -18.326 3.251 1.00 0.00 H new ATOM 0 HB3 PRO A 68 5.533 -17.627 4.791 1.00 0.00 H new ATOM 0 HG2 PRO A 68 4.207 -19.848 3.248 1.00 0.00 H new ATOM 0 HG3 PRO A 68 4.525 -19.742 4.968 1.00 0.00 H new ATOM 0 HD2 PRO A 68 2.061 -19.209 3.937 1.00 0.00 H new ATOM 0 HD3 PRO A 68 2.652 -18.387 5.368 1.00 0.00 H new ATOM 997 N SER A 69 5.202 -16.173 1.032 1.00 0.00 N ATOM 998 CA SER A 69 5.444 -16.180 -0.406 1.00 0.00 C ATOM 999 C SER A 69 4.132 -16.089 -1.179 1.00 0.00 C ATOM 1000 O SER A 69 4.015 -16.605 -2.289 1.00 0.00 O ATOM 1001 CB SER A 69 6.201 -17.446 -0.812 1.00 0.00 C ATOM 1002 OG SER A 69 7.589 -17.316 -0.555 1.00 0.00 O ATOM 0 H SER A 69 5.645 -15.401 1.531 1.00 0.00 H new ATOM 0 HA SER A 69 6.051 -15.308 -0.651 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.805 -18.301 -0.264 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.041 -17.645 -1.872 1.00 0.00 H new ATOM 0 HG SER A 69 8.050 -18.139 -0.822 1.00 0.00 H new ATOM 1008 N GLY A 70 3.145 -15.428 -0.580 1.00 0.00 N ATOM 1009 CA GLY A 70 1.853 -15.281 -1.225 1.00 0.00 C ATOM 1010 C GLY A 70 1.379 -13.842 -1.251 1.00 0.00 C ATOM 1011 O GLY A 70 2.176 -12.915 -1.109 1.00 0.00 O ATOM 0 H GLY A 70 3.217 -14.992 0.339 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.915 -15.658 -2.246 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.118 -15.893 -0.703 1.00 0.00 H new ATOM 1015 N VAL A 71 0.076 -13.653 -1.435 1.00 0.00 N ATOM 1016 CA VAL A 71 -0.504 -12.316 -1.480 1.00 0.00 C ATOM 1017 C VAL A 71 -1.844 -12.274 -0.755 1.00 0.00 C ATOM 1018 O VAL A 71 -2.428 -13.313 -0.448 1.00 0.00 O ATOM 1019 CB VAL A 71 -0.703 -11.839 -2.931 1.00 0.00 C ATOM 1020 CG1 VAL A 71 0.629 -11.444 -3.551 1.00 0.00 C ATOM 1021 CG2 VAL A 71 -1.386 -12.918 -3.758 1.00 0.00 C ATOM 0 H VAL A 71 -0.598 -14.409 -1.555 1.00 0.00 H new ATOM 0 HA VAL A 71 0.198 -11.649 -0.979 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.347 -10.959 -2.920 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.468 -11.110 -4.576 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.075 -10.636 -2.971 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.300 -12.303 -3.550 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.519 -12.564 -4.780 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.770 -13.817 -3.763 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.359 -13.147 -3.324 1.00 0.00 H new ATOM 1031 N GLN A 72 -2.326 -11.065 -0.484 1.00 0.00 N ATOM 1032 CA GLN A 72 -3.599 -10.888 0.206 1.00 0.00 C ATOM 1033 C GLN A 72 -4.354 -9.683 -0.345 1.00 0.00 C ATOM 1034 O GLN A 72 -3.879 -8.550 -0.265 1.00 0.00 O ATOM 1035 CB GLN A 72 -3.368 -10.716 1.709 1.00 0.00 C ATOM 1036 CG GLN A 72 -4.537 -10.069 2.433 1.00 0.00 C ATOM 1037 CD GLN A 72 -5.797 -10.910 2.377 1.00 0.00 C ATOM 1038 OE1 GLN A 72 -5.735 -12.138 2.317 1.00 0.00 O ATOM 1039 NE2 GLN A 72 -6.950 -10.252 2.395 1.00 0.00 N ATOM 0 H GLN A 72 -1.855 -10.195 -0.731 1.00 0.00 H new ATOM 0 HA GLN A 72 -4.202 -11.780 0.037 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -3.172 -11.692 2.152 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.475 -10.111 1.864 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -4.265 -9.899 3.475 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -4.737 -9.092 1.992 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -6.955 -9.233 2.445 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -7.831 -10.765 2.358 1.00 0.00 H new ATOM 1048 N ALA A 73 -5.532 -9.935 -0.906 1.00 0.00 N ATOM 1049 CA ALA A 73 -6.354 -8.871 -1.469 1.00 0.00 C ATOM 1050 C ALA A 73 -6.938 -7.989 -0.371 1.00 0.00 C ATOM 1051 O ALA A 73 -7.634 -8.472 0.522 1.00 0.00 O ATOM 1052 CB ALA A 73 -7.466 -9.460 -2.324 1.00 0.00 C ATOM 0 H ALA A 73 -5.939 -10.867 -0.983 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.718 -8.248 -2.098 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.072 -8.654 -2.738 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.031 -10.041 -3.137 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.093 -10.107 -1.710 1.00 0.00 H new ATOM 1058 N ILE A 74 -6.649 -6.694 -0.443 1.00 0.00 N ATOM 1059 CA ILE A 74 -7.146 -5.744 0.545 1.00 0.00 C ATOM 1060 C ILE A 74 -8.232 -4.852 -0.048 1.00 0.00 C ATOM 1061 O ILE A 74 -7.976 -4.077 -0.968 1.00 0.00 O ATOM 1062 CB ILE A 74 -6.013 -4.859 1.095 1.00 0.00 C ATOM 1063 CG1 ILE A 74 -4.895 -5.726 1.677 1.00 0.00 C ATOM 1064 CG2 ILE A 74 -6.552 -3.903 2.149 1.00 0.00 C ATOM 1065 CD1 ILE A 74 -5.110 -6.097 3.127 1.00 0.00 C ATOM 0 H ILE A 74 -6.073 -6.278 -1.175 1.00 0.00 H new ATOM 0 HA ILE A 74 -7.567 -6.330 1.362 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.601 -4.271 0.275 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -4.809 -6.638 1.086 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.948 -5.195 1.583 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -5.739 -3.284 2.528 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -7.317 -3.266 1.705 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -6.987 -4.474 2.970 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -4.279 -6.712 3.472 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -5.166 -5.191 3.730 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -6.040 -6.657 3.225 1.00 0.00 H new ATOM 1077 N GLN A 75 -9.443 -4.967 0.488 1.00 0.00 N ATOM 1078 CA GLN A 75 -10.567 -4.170 0.013 1.00 0.00 C ATOM 1079 C GLN A 75 -10.530 -2.767 0.609 1.00 0.00 C ATOM 1080 O GLN A 75 -10.634 -2.595 1.824 1.00 0.00 O ATOM 1081 CB GLN A 75 -11.889 -4.852 0.366 1.00 0.00 C ATOM 1082 CG GLN A 75 -12.256 -5.992 -0.571 1.00 0.00 C ATOM 1083 CD GLN A 75 -12.150 -5.602 -2.032 1.00 0.00 C ATOM 1084 OE1 GLN A 75 -13.015 -4.906 -2.565 1.00 0.00 O ATOM 1085 NE2 GLN A 75 -11.086 -6.050 -2.689 1.00 0.00 N ATOM 0 H GLN A 75 -9.670 -5.604 1.251 1.00 0.00 H new ATOM 0 HA GLN A 75 -10.488 -4.087 -1.071 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.830 -5.235 1.385 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.687 -4.109 0.351 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -11.602 -6.842 -0.377 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -13.274 -6.319 -0.359 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -10.394 -6.624 -2.208 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -10.961 -5.820 -3.675 1.00 0.00 H new ATOM 1094 N ILE A 76 -10.381 -1.767 -0.253 1.00 0.00 N ATOM 1095 CA ILE A 76 -10.331 -0.379 0.190 1.00 0.00 C ATOM 1096 C ILE A 76 -11.552 0.396 -0.293 1.00 0.00 C ATOM 1097 O ILE A 76 -11.839 0.442 -1.489 1.00 0.00 O ATOM 1098 CB ILE A 76 -9.057 0.327 -0.313 1.00 0.00 C ATOM 1099 CG1 ILE A 76 -7.813 -0.320 0.299 1.00 0.00 C ATOM 1100 CG2 ILE A 76 -9.107 1.811 0.019 1.00 0.00 C ATOM 1101 CD1 ILE A 76 -6.516 0.196 -0.282 1.00 0.00 C ATOM 0 H ILE A 76 -10.293 -1.892 -1.261 1.00 0.00 H new ATOM 0 HA ILE A 76 -10.321 -0.396 1.280 1.00 0.00 H new ATOM 0 HB ILE A 76 -9.004 0.219 -1.396 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -7.815 -0.145 1.375 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -7.864 -1.399 0.151 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -8.200 2.296 -0.343 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -9.976 2.262 -0.461 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -9.181 1.940 1.099 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -5.677 -0.307 0.199 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -6.493 -0.003 -1.353 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.442 1.270 -0.111 1.00 0.00 H new ATOM 1113 N SER A 77 -12.267 1.007 0.646 1.00 0.00 N ATOM 1114 CA SER A 77 -13.460 1.779 0.318 1.00 0.00 C ATOM 1115 C SER A 77 -13.321 3.222 0.794 1.00 0.00 C ATOM 1116 O SER A 77 -13.353 3.498 1.994 1.00 0.00 O ATOM 1117 CB SER A 77 -14.698 1.139 0.948 1.00 0.00 C ATOM 1118 OG SER A 77 -15.884 1.772 0.500 1.00 0.00 O ATOM 0 H SER A 77 -12.041 0.982 1.640 1.00 0.00 H new ATOM 0 HA SER A 77 -13.574 1.781 -0.766 1.00 0.00 H new ATOM 0 HB2 SER A 77 -14.731 0.079 0.697 1.00 0.00 H new ATOM 0 HB3 SER A 77 -14.634 1.207 2.034 1.00 0.00 H new ATOM 0 HG SER A 77 -16.661 1.343 0.916 1.00 0.00 H new ATOM 1124 N PHE A 78 -13.166 4.140 -0.154 1.00 0.00 N ATOM 1125 CA PHE A 78 -13.021 5.555 0.167 1.00 0.00 C ATOM 1126 C PHE A 78 -14.318 6.311 -0.109 1.00 0.00 C ATOM 1127 O PHE A 78 -14.970 6.094 -1.130 1.00 0.00 O ATOM 1128 CB PHE A 78 -11.878 6.169 -0.643 1.00 0.00 C ATOM 1129 CG PHE A 78 -11.765 7.658 -0.487 1.00 0.00 C ATOM 1130 CD1 PHE A 78 -11.918 8.252 0.755 1.00 0.00 C ATOM 1131 CD2 PHE A 78 -11.506 8.465 -1.584 1.00 0.00 C ATOM 1132 CE1 PHE A 78 -11.814 9.622 0.903 1.00 0.00 C ATOM 1133 CE2 PHE A 78 -11.401 9.836 -1.442 1.00 0.00 C ATOM 1134 CZ PHE A 78 -11.557 10.415 -0.198 1.00 0.00 C ATOM 0 H PHE A 78 -13.138 3.929 -1.152 1.00 0.00 H new ATOM 0 HA PHE A 78 -12.791 5.639 1.229 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -10.939 5.708 -0.338 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -12.022 5.932 -1.697 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -12.121 7.636 1.619 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -11.385 8.018 -2.560 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -11.933 10.072 1.878 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -11.197 10.454 -2.304 1.00 0.00 H new ATOM 0 HZ PHE A 78 -11.478 11.486 -0.086 1.00 0.00 H new ATOM 1144 N SER A 79 -14.685 7.198 0.810 1.00 0.00 N ATOM 1145 CA SER A 79 -15.905 7.984 0.670 1.00 0.00 C ATOM 1146 C SER A 79 -15.947 9.111 1.697 1.00 0.00 C ATOM 1147 O SER A 79 -16.124 8.872 2.891 1.00 0.00 O ATOM 1148 CB SER A 79 -17.135 7.088 0.829 1.00 0.00 C ATOM 1149 OG SER A 79 -17.255 6.619 2.161 1.00 0.00 O ATOM 0 H SER A 79 -14.155 7.390 1.660 1.00 0.00 H new ATOM 0 HA SER A 79 -15.911 8.425 -0.327 1.00 0.00 H new ATOM 0 HB2 SER A 79 -18.032 7.643 0.553 1.00 0.00 H new ATOM 0 HB3 SER A 79 -17.062 6.241 0.147 1.00 0.00 H new ATOM 0 HG SER A 79 -16.710 7.177 2.755 1.00 0.00 H new ATOM 1155 N SER A 80 -15.782 10.342 1.222 1.00 0.00 N ATOM 1156 CA SER A 80 -15.797 11.508 2.098 1.00 0.00 C ATOM 1157 C SER A 80 -16.601 12.645 1.475 1.00 0.00 C ATOM 1158 O SER A 80 -17.058 12.545 0.336 1.00 0.00 O ATOM 1159 CB SER A 80 -14.369 11.975 2.384 1.00 0.00 C ATOM 1160 OG SER A 80 -14.283 12.607 3.649 1.00 0.00 O ATOM 0 H SER A 80 -15.636 10.557 0.236 1.00 0.00 H new ATOM 0 HA SER A 80 -16.273 11.221 3.036 1.00 0.00 H new ATOM 0 HB2 SER A 80 -13.691 11.122 2.353 1.00 0.00 H new ATOM 0 HB3 SER A 80 -14.046 12.667 1.606 1.00 0.00 H new ATOM 0 HG SER A 80 -14.630 12.005 4.340 1.00 0.00 H new ATOM 1166 N ILE A 81 -16.769 13.725 2.231 1.00 0.00 N ATOM 1167 CA ILE A 81 -17.517 14.881 1.754 1.00 0.00 C ATOM 1168 C ILE A 81 -16.639 16.128 1.720 1.00 0.00 C ATOM 1169 O ILE A 81 -17.057 17.181 1.239 1.00 0.00 O ATOM 1170 CB ILE A 81 -18.748 15.159 2.637 1.00 0.00 C ATOM 1171 CG1 ILE A 81 -18.319 15.416 4.083 1.00 0.00 C ATOM 1172 CG2 ILE A 81 -19.724 13.993 2.567 1.00 0.00 C ATOM 1173 CD1 ILE A 81 -17.989 16.864 4.367 1.00 0.00 C ATOM 0 H ILE A 81 -16.397 13.823 3.176 1.00 0.00 H new ATOM 0 HA ILE A 81 -17.850 14.646 0.743 1.00 0.00 H new ATOM 0 HB ILE A 81 -19.250 16.051 2.264 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -19.117 15.096 4.753 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -17.447 14.802 4.309 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -20.589 14.204 3.196 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -20.050 13.853 1.536 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -19.233 13.086 2.918 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -17.693 16.972 5.411 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -17.170 17.184 3.723 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -18.866 17.482 4.173 1.00 0.00 H new ATOM 1185 N ILE A 82 -15.419 15.999 2.232 1.00 0.00 N ATOM 1186 CA ILE A 82 -14.481 17.114 2.257 1.00 0.00 C ATOM 1187 C ILE A 82 -13.761 17.257 0.920 1.00 0.00 C ATOM 1188 O ILE A 82 -12.881 16.462 0.588 1.00 0.00 O ATOM 1189 CB ILE A 82 -13.435 16.945 3.375 1.00 0.00 C ATOM 1190 CG1 ILE A 82 -14.120 16.903 4.742 1.00 0.00 C ATOM 1191 CG2 ILE A 82 -12.415 18.072 3.322 1.00 0.00 C ATOM 1192 CD1 ILE A 82 -14.591 15.521 5.140 1.00 0.00 C ATOM 0 H ILE A 82 -15.058 15.134 2.635 1.00 0.00 H new ATOM 0 HA ILE A 82 -15.065 18.014 2.450 1.00 0.00 H new ATOM 0 HB ILE A 82 -12.912 16.001 3.222 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -13.428 17.274 5.498 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -14.974 17.580 4.732 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -11.683 17.938 4.118 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -11.908 18.059 2.357 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -12.922 19.028 3.452 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -15.067 15.567 6.120 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -15.308 15.155 4.405 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -13.738 14.844 5.182 1.00 0.00 H new ATOM 1204 N LEU A 83 -14.139 18.277 0.158 1.00 0.00 N ATOM 1205 CA LEU A 83 -13.528 18.527 -1.144 1.00 0.00 C ATOM 1206 C LEU A 83 -12.108 19.060 -0.985 1.00 0.00 C ATOM 1207 O LEU A 83 -11.683 19.406 0.116 1.00 0.00 O ATOM 1208 CB LEU A 83 -14.372 19.522 -1.942 1.00 0.00 C ATOM 1209 CG LEU A 83 -15.852 19.170 -2.102 1.00 0.00 C ATOM 1210 CD1 LEU A 83 -16.674 20.425 -2.352 1.00 0.00 C ATOM 1211 CD2 LEU A 83 -16.043 18.171 -3.234 1.00 0.00 C ATOM 0 H LEU A 83 -14.865 18.944 0.418 1.00 0.00 H new ATOM 0 HA LEU A 83 -13.483 17.582 -1.685 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -14.301 20.497 -1.460 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -13.934 19.625 -2.935 1.00 0.00 H new ATOM 0 HG LEU A 83 -16.199 18.711 -1.177 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -17.724 20.156 -2.463 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -16.562 21.107 -1.509 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -16.326 20.913 -3.263 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -17.102 17.932 -3.334 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -15.679 18.603 -4.166 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -15.485 17.261 -3.014 1.00 0.00 H new ATOM 1223 N GLY A 84 -11.378 19.124 -2.095 1.00 0.00 N ATOM 1224 CA GLY A 84 -10.014 19.618 -2.058 1.00 0.00 C ATOM 1225 C GLY A 84 -8.994 18.498 -1.984 1.00 0.00 C ATOM 1226 O GLY A 84 -9.291 17.411 -1.492 1.00 0.00 O ATOM 0 H GLY A 84 -11.707 18.843 -3.019 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.824 20.220 -2.947 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.892 20.274 -1.196 1.00 0.00 H new ATOM 1230 N ASN A 85 -7.789 18.765 -2.476 1.00 0.00 N ATOM 1231 CA ASN A 85 -6.722 17.771 -2.466 1.00 0.00 C ATOM 1232 C ASN A 85 -6.455 17.274 -1.048 1.00 0.00 C ATOM 1233 O ASN A 85 -6.559 18.032 -0.084 1.00 0.00 O ATOM 1234 CB ASN A 85 -5.441 18.360 -3.062 1.00 0.00 C ATOM 1235 CG ASN A 85 -5.647 18.886 -4.469 1.00 0.00 C ATOM 1236 OD1 ASN A 85 -5.517 18.147 -5.445 1.00 0.00 O ATOM 1237 ND2 ASN A 85 -5.970 20.169 -4.579 1.00 0.00 N ATOM 0 H ASN A 85 -7.527 19.661 -2.887 1.00 0.00 H new ATOM 0 HA ASN A 85 -7.042 16.925 -3.075 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -5.085 19.168 -2.423 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -4.664 17.596 -3.073 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -6.121 20.580 -5.500 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -6.067 20.744 -3.742 1.00 0.00 H new ATOM 1244 N PHE A 86 -6.110 15.996 -0.930 1.00 0.00 N ATOM 1245 CA PHE A 86 -5.828 15.397 0.369 1.00 0.00 C ATOM 1246 C PHE A 86 -4.726 14.348 0.257 1.00 0.00 C ATOM 1247 O PHE A 86 -4.694 13.566 -0.693 1.00 0.00 O ATOM 1248 CB PHE A 86 -7.094 14.763 0.948 1.00 0.00 C ATOM 1249 CG PHE A 86 -7.494 13.488 0.261 1.00 0.00 C ATOM 1250 CD1 PHE A 86 -6.835 12.301 0.538 1.00 0.00 C ATOM 1251 CD2 PHE A 86 -8.528 13.477 -0.661 1.00 0.00 C ATOM 1252 CE1 PHE A 86 -7.200 11.127 -0.093 1.00 0.00 C ATOM 1253 CE2 PHE A 86 -8.898 12.305 -1.295 1.00 0.00 C ATOM 1254 CZ PHE A 86 -8.233 11.129 -1.009 1.00 0.00 C ATOM 0 H PHE A 86 -6.019 15.355 -1.718 1.00 0.00 H new ATOM 0 HA PHE A 86 -5.487 16.187 1.038 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -6.938 14.562 2.008 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -7.914 15.478 0.877 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -6.027 12.293 1.255 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -9.051 14.394 -0.887 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -6.678 10.209 0.130 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -9.705 12.309 -2.012 1.00 0.00 H new ATOM 0 HZ PHE A 86 -8.521 10.212 -1.501 1.00 0.00 H new ATOM 1264 N GLU A 87 -3.824 14.339 1.234 1.00 0.00 N ATOM 1265 CA GLU A 87 -2.719 13.387 1.244 1.00 0.00 C ATOM 1266 C GLU A 87 -2.636 12.664 2.585 1.00 0.00 C ATOM 1267 O GLU A 87 -2.179 13.229 3.578 1.00 0.00 O ATOM 1268 CB GLU A 87 -1.398 14.102 0.955 1.00 0.00 C ATOM 1269 CG GLU A 87 -0.213 13.161 0.821 1.00 0.00 C ATOM 1270 CD GLU A 87 1.117 13.889 0.846 1.00 0.00 C ATOM 1271 OE1 GLU A 87 1.539 14.318 1.940 1.00 0.00 O ATOM 1272 OE2 GLU A 87 1.736 14.030 -0.230 1.00 0.00 O ATOM 0 H GLU A 87 -3.837 14.979 2.028 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.902 12.649 0.463 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -1.500 14.678 0.035 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -1.197 14.814 1.756 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -0.239 12.432 1.631 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.300 12.604 -0.112 1.00 0.00 H new ATOM 1279 N GLU A 88 -3.082 11.412 2.604 1.00 0.00 N ATOM 1280 CA GLU A 88 -3.060 10.612 3.824 1.00 0.00 C ATOM 1281 C GLU A 88 -2.097 9.436 3.685 1.00 0.00 C ATOM 1282 O GLU A 88 -1.735 9.045 2.576 1.00 0.00 O ATOM 1283 CB GLU A 88 -4.464 10.100 4.150 1.00 0.00 C ATOM 1284 CG GLU A 88 -5.475 11.208 4.392 1.00 0.00 C ATOM 1285 CD GLU A 88 -4.931 12.310 5.281 1.00 0.00 C ATOM 1286 OE1 GLU A 88 -4.541 12.008 6.428 1.00 0.00 O ATOM 1287 OE2 GLU A 88 -4.896 13.474 4.829 1.00 0.00 O ATOM 0 H GLU A 88 -3.463 10.930 1.790 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.715 11.248 4.639 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -4.813 9.474 3.329 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -4.414 9.466 5.035 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.778 11.634 3.435 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.369 10.785 4.850 1.00 0.00 H new ATOM 1294 N GLU A 89 -1.687 8.879 4.820 1.00 0.00 N ATOM 1295 CA GLU A 89 -0.765 7.749 4.825 1.00 0.00 C ATOM 1296 C GLU A 89 -1.137 6.748 5.916 1.00 0.00 C ATOM 1297 O GLU A 89 -1.037 7.044 7.106 1.00 0.00 O ATOM 1298 CB GLU A 89 0.671 8.234 5.033 1.00 0.00 C ATOM 1299 CG GLU A 89 0.962 9.573 4.375 1.00 0.00 C ATOM 1300 CD GLU A 89 2.318 10.130 4.761 1.00 0.00 C ATOM 1301 OE1 GLU A 89 2.473 10.560 5.924 1.00 0.00 O ATOM 1302 OE2 GLU A 89 3.224 10.138 3.902 1.00 0.00 O ATOM 0 H GLU A 89 -1.978 9.191 5.746 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.837 7.251 3.858 1.00 0.00 H new ATOM 0 HB2 GLU A 89 0.868 8.314 6.102 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.359 7.487 4.637 1.00 0.00 H new ATOM 0 HG2 GLU A 89 0.915 9.459 3.292 1.00 0.00 H new ATOM 0 HG3 GLU A 89 0.187 10.287 4.654 1.00 0.00 H new ATOM 1309 N PHE A 90 -1.568 5.562 5.499 1.00 0.00 N ATOM 1310 CA PHE A 90 -1.957 4.517 6.439 1.00 0.00 C ATOM 1311 C PHE A 90 -0.760 3.647 6.812 1.00 0.00 C ATOM 1312 O PHE A 90 0.192 3.517 6.041 1.00 0.00 O ATOM 1313 CB PHE A 90 -3.065 3.648 5.839 1.00 0.00 C ATOM 1314 CG PHE A 90 -4.274 4.430 5.410 1.00 0.00 C ATOM 1315 CD1 PHE A 90 -4.271 5.138 4.219 1.00 0.00 C ATOM 1316 CD2 PHE A 90 -5.413 4.458 6.199 1.00 0.00 C ATOM 1317 CE1 PHE A 90 -5.381 5.858 3.822 1.00 0.00 C ATOM 1318 CE2 PHE A 90 -6.526 5.176 5.806 1.00 0.00 C ATOM 1319 CZ PHE A 90 -6.510 5.878 4.617 1.00 0.00 C ATOM 0 H PHE A 90 -1.657 5.301 4.517 1.00 0.00 H new ATOM 0 HA PHE A 90 -2.330 4.998 7.343 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -2.667 3.108 4.979 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -3.367 2.901 6.573 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -3.390 5.127 3.594 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -5.431 3.913 7.131 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -5.366 6.405 2.891 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -7.408 5.188 6.429 1.00 0.00 H new ATOM 0 HZ PHE A 90 -7.379 6.441 4.309 1.00 0.00 H new ATOM 1329 N LEU A 91 -0.814 3.055 8.000 1.00 0.00 N ATOM 1330 CA LEU A 91 0.265 2.198 8.478 1.00 0.00 C ATOM 1331 C LEU A 91 -0.267 0.826 8.881 1.00 0.00 C ATOM 1332 O LEU A 91 -1.244 0.721 9.623 1.00 0.00 O ATOM 1333 CB LEU A 91 0.975 2.852 9.664 1.00 0.00 C ATOM 1334 CG LEU A 91 1.774 4.118 9.354 1.00 0.00 C ATOM 1335 CD1 LEU A 91 2.512 4.601 10.593 1.00 0.00 C ATOM 1336 CD2 LEU A 91 2.749 3.868 8.213 1.00 0.00 C ATOM 0 H LEU A 91 -1.594 3.153 8.650 1.00 0.00 H new ATOM 0 HA LEU A 91 0.978 2.065 7.664 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.228 3.094 10.420 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.650 2.120 10.106 1.00 0.00 H new ATOM 0 HG LEU A 91 1.077 4.897 9.045 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.075 5.503 10.353 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.793 4.822 11.382 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.198 3.825 10.934 1.00 0.00 H new ATOM 0 HD21 LEU A 91 3.309 4.780 8.006 1.00 0.00 H new ATOM 0 HD22 LEU A 91 3.441 3.073 8.493 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.197 3.571 7.321 1.00 0.00 H new ATOM 1348 N VAL A 92 0.385 -0.223 8.391 1.00 0.00 N ATOM 1349 CA VAL A 92 -0.020 -1.589 8.703 1.00 0.00 C ATOM 1350 C VAL A 92 0.902 -2.211 9.745 1.00 0.00 C ATOM 1351 O VAL A 92 2.072 -2.478 9.474 1.00 0.00 O ATOM 1352 CB VAL A 92 -0.024 -2.475 7.443 1.00 0.00 C ATOM 1353 CG1 VAL A 92 -0.591 -3.850 7.759 1.00 0.00 C ATOM 1354 CG2 VAL A 92 -0.812 -1.808 6.325 1.00 0.00 C ATOM 0 H VAL A 92 1.196 -0.154 7.776 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.032 -1.535 9.104 1.00 0.00 H new ATOM 0 HB VAL A 92 1.005 -2.602 7.106 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.586 -4.462 6.857 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.019 -4.328 8.525 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.614 -3.747 8.122 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -0.804 -2.448 5.443 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.840 -1.649 6.649 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.356 -0.848 6.081 1.00 0.00 H new ATOM 1364 N ASN A 93 0.366 -2.439 10.940 1.00 0.00 N ATOM 1365 CA ASN A 93 1.141 -3.030 12.025 1.00 0.00 C ATOM 1366 C ASN A 93 1.367 -4.519 11.784 1.00 0.00 C ATOM 1367 O ASN A 93 0.527 -5.198 11.192 1.00 0.00 O ATOM 1368 CB ASN A 93 0.428 -2.820 13.362 1.00 0.00 C ATOM 1369 CG ASN A 93 0.534 -1.390 13.856 1.00 0.00 C ATOM 1370 OD1 ASN A 93 1.320 -1.089 14.754 1.00 0.00 O ATOM 1371 ND2 ASN A 93 -0.261 -0.502 13.270 1.00 0.00 N ATOM 0 H ASN A 93 -0.601 -2.224 11.181 1.00 0.00 H new ATOM 0 HA ASN A 93 2.111 -2.534 12.057 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -0.623 -3.088 13.256 1.00 0.00 H new ATOM 0 HB3 ASN A 93 0.854 -3.491 14.107 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -0.235 0.475 13.561 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -0.897 -0.797 12.529 1.00 0.00 H new ATOM 1378 N VAL A 94 2.507 -5.022 12.247 1.00 0.00 N ATOM 1379 CA VAL A 94 2.842 -6.432 12.084 1.00 0.00 C ATOM 1380 C VAL A 94 3.484 -6.994 13.347 1.00 0.00 C ATOM 1381 O VAL A 94 4.310 -6.339 13.980 1.00 0.00 O ATOM 1382 CB VAL A 94 3.800 -6.647 10.896 1.00 0.00 C ATOM 1383 CG1 VAL A 94 3.880 -8.122 10.536 1.00 0.00 C ATOM 1384 CG2 VAL A 94 3.356 -5.821 9.699 1.00 0.00 C ATOM 0 H VAL A 94 3.214 -4.474 12.738 1.00 0.00 H new ATOM 0 HA VAL A 94 1.908 -6.959 11.889 1.00 0.00 H new ATOM 0 HB VAL A 94 4.796 -6.315 11.189 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.561 -8.255 9.695 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.247 -8.686 11.393 1.00 0.00 H new ATOM 0 HG13 VAL A 94 2.889 -8.484 10.261 1.00 0.00 H new ATOM 0 HG21 VAL A 94 4.043 -5.985 8.869 1.00 0.00 H new ATOM 0 HG22 VAL A 94 2.351 -6.121 9.402 1.00 0.00 H new ATOM 0 HG23 VAL A 94 3.355 -4.764 9.966 1.00 0.00 H new ATOM 1394 N ASN A 95 3.097 -8.213 13.709 1.00 0.00 N ATOM 1395 CA ASN A 95 3.634 -8.864 14.898 1.00 0.00 C ATOM 1396 C ASN A 95 5.093 -9.261 14.689 1.00 0.00 C ATOM 1397 O ASN A 95 5.392 -10.204 13.957 1.00 0.00 O ATOM 1398 CB ASN A 95 2.803 -10.101 15.247 1.00 0.00 C ATOM 1399 CG ASN A 95 3.459 -10.955 16.315 1.00 0.00 C ATOM 1400 OD1 ASN A 95 4.005 -10.440 17.290 1.00 0.00 O ATOM 1401 ND2 ASN A 95 3.408 -12.270 16.133 1.00 0.00 N ATOM 0 H ASN A 95 2.414 -8.770 13.196 1.00 0.00 H new ATOM 0 HA ASN A 95 3.583 -8.155 15.724 1.00 0.00 H new ATOM 0 HB2 ASN A 95 1.817 -9.788 15.591 1.00 0.00 H new ATOM 0 HB3 ASN A 95 2.652 -10.700 14.349 1.00 0.00 H new ATOM 0 HD21 ASN A 95 3.832 -12.896 16.817 1.00 0.00 H new ATOM 0 HD22 ASN A 95 2.944 -12.653 15.309 1.00 0.00 H new ATOM 1408 N GLY A 96 5.997 -8.534 15.338 1.00 0.00 N ATOM 1409 CA GLY A 96 7.413 -8.825 15.210 1.00 0.00 C ATOM 1410 C GLY A 96 8.155 -7.763 14.423 1.00 0.00 C ATOM 1411 O GLY A 96 9.062 -7.115 14.945 1.00 0.00 O ATOM 0 H GLY A 96 5.774 -7.749 15.950 1.00 0.00 H new ATOM 0 HA2 GLY A 96 7.854 -8.911 16.203 1.00 0.00 H new ATOM 0 HA3 GLY A 96 7.539 -9.790 14.720 1.00 0.00 H new ATOM 1415 N SER A 97 7.770 -7.586 13.163 1.00 0.00 N ATOM 1416 CA SER A 97 8.409 -6.599 12.301 1.00 0.00 C ATOM 1417 C SER A 97 8.768 -5.342 13.087 1.00 0.00 C ATOM 1418 O SER A 97 8.040 -4.908 13.980 1.00 0.00 O ATOM 1419 CB SER A 97 7.488 -6.239 11.133 1.00 0.00 C ATOM 1420 OG SER A 97 6.688 -5.111 11.444 1.00 0.00 O ATOM 0 H SER A 97 7.019 -8.113 12.717 1.00 0.00 H new ATOM 0 HA SER A 97 9.328 -7.035 11.909 1.00 0.00 H new ATOM 0 HB2 SER A 97 8.085 -6.032 10.245 1.00 0.00 H new ATOM 0 HB3 SER A 97 6.848 -7.089 10.895 1.00 0.00 H new ATOM 0 HG SER A 97 6.933 -4.365 10.858 1.00 0.00 H new ATOM 1426 N PRO A 98 9.918 -4.740 12.747 1.00 0.00 N ATOM 1427 CA PRO A 98 10.401 -3.524 13.407 1.00 0.00 C ATOM 1428 C PRO A 98 9.550 -2.305 13.070 1.00 0.00 C ATOM 1429 O PRO A 98 9.348 -1.427 13.908 1.00 0.00 O ATOM 1430 CB PRO A 98 11.817 -3.357 12.852 1.00 0.00 C ATOM 1431 CG PRO A 98 11.792 -4.053 11.535 1.00 0.00 C ATOM 1432 CD PRO A 98 10.835 -5.202 11.691 1.00 0.00 C ATOM 0 HA PRO A 98 10.361 -3.607 14.493 1.00 0.00 H new ATOM 0 HB2 PRO A 98 12.076 -2.304 12.739 1.00 0.00 H new ATOM 0 HB3 PRO A 98 12.558 -3.798 13.519 1.00 0.00 H new ATOM 0 HG2 PRO A 98 11.466 -3.378 10.743 1.00 0.00 H new ATOM 0 HG3 PRO A 98 12.786 -4.407 11.262 1.00 0.00 H new ATOM 0 HD2 PRO A 98 10.305 -5.413 10.762 1.00 0.00 H new ATOM 0 HD3 PRO A 98 11.350 -6.118 11.979 1.00 0.00 H new ATOM 1440 N GLU A 99 9.053 -2.257 11.838 1.00 0.00 N ATOM 1441 CA GLU A 99 8.224 -1.144 11.391 1.00 0.00 C ATOM 1442 C GLU A 99 7.085 -1.636 10.503 1.00 0.00 C ATOM 1443 O GLU A 99 7.204 -2.636 9.794 1.00 0.00 O ATOM 1444 CB GLU A 99 9.071 -0.121 10.632 1.00 0.00 C ATOM 1445 CG GLU A 99 9.551 -0.612 9.277 1.00 0.00 C ATOM 1446 CD GLU A 99 10.725 0.189 8.748 1.00 0.00 C ATOM 1447 OE1 GLU A 99 11.599 0.565 9.557 1.00 0.00 O ATOM 1448 OE2 GLU A 99 10.770 0.439 7.526 1.00 0.00 O ATOM 0 H GLU A 99 9.210 -2.976 11.132 1.00 0.00 H new ATOM 0 HA GLU A 99 7.795 -0.668 12.272 1.00 0.00 H new ATOM 0 HB2 GLU A 99 8.488 0.789 10.493 1.00 0.00 H new ATOM 0 HB3 GLU A 99 9.936 0.144 11.240 1.00 0.00 H new ATOM 0 HG2 GLU A 99 9.838 -1.661 9.356 1.00 0.00 H new ATOM 0 HG3 GLU A 99 8.729 -0.559 8.563 1.00 0.00 H new ATOM 1455 N PRO A 100 5.953 -0.918 10.541 1.00 0.00 N ATOM 1456 CA PRO A 100 4.770 -1.262 9.746 1.00 0.00 C ATOM 1457 C PRO A 100 4.985 -1.026 8.255 1.00 0.00 C ATOM 1458 O PRO A 100 6.106 -0.777 7.811 1.00 0.00 O ATOM 1459 CB PRO A 100 3.693 -0.319 10.287 1.00 0.00 C ATOM 1460 CG PRO A 100 4.447 0.842 10.836 1.00 0.00 C ATOM 1461 CD PRO A 100 5.740 0.285 11.363 1.00 0.00 C ATOM 0 HA PRO A 100 4.514 -2.318 9.832 1.00 0.00 H new ATOM 0 HB2 PRO A 100 3.007 -0.008 9.499 1.00 0.00 H new ATOM 0 HB3 PRO A 100 3.094 -0.803 11.059 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.630 1.589 10.063 1.00 0.00 H new ATOM 0 HG3 PRO A 100 3.883 1.334 11.628 1.00 0.00 H new ATOM 0 HD2 PRO A 100 6.558 0.997 11.254 1.00 0.00 H new ATOM 0 HD3 PRO A 100 5.670 0.040 12.423 1.00 0.00 H new ATOM 1469 N VAL A 101 3.903 -1.105 7.486 1.00 0.00 N ATOM 1470 CA VAL A 101 3.973 -0.898 6.045 1.00 0.00 C ATOM 1471 C VAL A 101 3.395 0.458 5.655 1.00 0.00 C ATOM 1472 O VAL A 101 2.185 0.674 5.732 1.00 0.00 O ATOM 1473 CB VAL A 101 3.220 -2.004 5.282 1.00 0.00 C ATOM 1474 CG1 VAL A 101 3.231 -1.724 3.787 1.00 0.00 C ATOM 1475 CG2 VAL A 101 3.827 -3.366 5.582 1.00 0.00 C ATOM 0 H VAL A 101 2.968 -1.311 7.838 1.00 0.00 H new ATOM 0 HA VAL A 101 5.028 -0.932 5.772 1.00 0.00 H new ATOM 0 HB VAL A 101 2.183 -2.012 5.618 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.694 -2.516 3.265 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.746 -0.767 3.592 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.261 -1.688 3.431 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.283 -4.136 5.035 1.00 0.00 H new ATOM 0 HG22 VAL A 101 4.873 -3.374 5.275 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.761 -3.566 6.651 1.00 0.00 H new ATOM 1485 N LYS A 102 4.267 1.368 5.236 1.00 0.00 N ATOM 1486 CA LYS A 102 3.844 2.704 4.832 1.00 0.00 C ATOM 1487 C LYS A 102 3.049 2.653 3.532 1.00 0.00 C ATOM 1488 O LYS A 102 3.464 2.017 2.562 1.00 0.00 O ATOM 1489 CB LYS A 102 5.061 3.617 4.663 1.00 0.00 C ATOM 1490 CG LYS A 102 4.700 5.068 4.395 1.00 0.00 C ATOM 1491 CD LYS A 102 4.360 5.804 5.680 1.00 0.00 C ATOM 1492 CE LYS A 102 5.593 6.444 6.299 1.00 0.00 C ATOM 1493 NZ LYS A 102 5.955 7.719 5.622 1.00 0.00 N ATOM 0 H LYS A 102 5.272 1.205 5.167 1.00 0.00 H new ATOM 0 HA LYS A 102 3.201 3.107 5.615 1.00 0.00 H new ATOM 0 HB2 LYS A 102 5.673 3.564 5.564 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.672 3.245 3.840 1.00 0.00 H new ATOM 0 HG2 LYS A 102 5.533 5.566 3.899 1.00 0.00 H new ATOM 0 HG3 LYS A 102 3.851 5.113 3.713 1.00 0.00 H new ATOM 0 HD2 LYS A 102 3.615 6.572 5.474 1.00 0.00 H new ATOM 0 HD3 LYS A 102 3.914 5.109 6.391 1.00 0.00 H new ATOM 0 HE2 LYS A 102 5.411 6.633 7.357 1.00 0.00 H new ATOM 0 HE3 LYS A 102 6.431 5.750 6.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 6.800 8.124 6.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 6.153 7.535 4.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 5.165 8.391 5.701 1.00 0.00 H new ATOM 1507 N LEU A 103 1.904 3.327 3.517 1.00 0.00 N ATOM 1508 CA LEU A 103 1.050 3.360 2.335 1.00 0.00 C ATOM 1509 C LEU A 103 0.487 4.759 2.109 1.00 0.00 C ATOM 1510 O LEU A 103 -0.411 5.202 2.826 1.00 0.00 O ATOM 1511 CB LEU A 103 -0.093 2.354 2.479 1.00 0.00 C ATOM 1512 CG LEU A 103 -1.120 2.338 1.346 1.00 0.00 C ATOM 1513 CD1 LEU A 103 -0.542 1.666 0.111 1.00 0.00 C ATOM 1514 CD2 LEU A 103 -2.394 1.635 1.791 1.00 0.00 C ATOM 0 H LEU A 103 1.546 3.858 4.311 1.00 0.00 H new ATOM 0 HA LEU A 103 1.657 3.089 1.471 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.337 1.356 2.567 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.616 2.559 3.413 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.367 3.369 1.091 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -1.287 1.664 -0.685 1.00 0.00 H new ATOM 0 HD12 LEU A 103 0.341 2.212 -0.221 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -0.265 0.640 0.351 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.113 1.633 0.972 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -2.163 0.608 2.074 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -2.819 2.160 2.646 1.00 0.00 H new ATOM 1526 N THR A 104 1.018 5.450 1.105 1.00 0.00 N ATOM 1527 CA THR A 104 0.568 6.799 0.783 1.00 0.00 C ATOM 1528 C THR A 104 -0.512 6.775 -0.292 1.00 0.00 C ATOM 1529 O THR A 104 -0.319 6.205 -1.366 1.00 0.00 O ATOM 1530 CB THR A 104 1.735 7.681 0.304 1.00 0.00 C ATOM 1531 OG1 THR A 104 2.715 7.804 1.341 1.00 0.00 O ATOM 1532 CG2 THR A 104 1.240 9.062 -0.098 1.00 0.00 C ATOM 0 H THR A 104 1.760 5.098 0.501 1.00 0.00 H new ATOM 0 HA THR A 104 0.156 7.222 1.699 1.00 0.00 H new ATOM 0 HB THR A 104 2.186 7.206 -0.567 1.00 0.00 H new ATOM 0 HG1 THR A 104 3.455 8.365 1.027 1.00 0.00 H new ATOM 0 HG21 THR A 104 2.082 9.667 -0.433 1.00 0.00 H new ATOM 0 HG22 THR A 104 0.516 8.968 -0.908 1.00 0.00 H new ATOM 0 HG23 THR A 104 0.766 9.542 0.758 1.00 0.00 H new ATOM 1540 N ILE A 105 -1.648 7.400 0.002 1.00 0.00 N ATOM 1541 CA ILE A 105 -2.757 7.452 -0.942 1.00 0.00 C ATOM 1542 C ILE A 105 -3.143 8.893 -1.258 1.00 0.00 C ATOM 1543 O ILE A 105 -3.649 9.614 -0.398 1.00 0.00 O ATOM 1544 CB ILE A 105 -3.993 6.709 -0.399 1.00 0.00 C ATOM 1545 CG1 ILE A 105 -3.637 5.259 -0.064 1.00 0.00 C ATOM 1546 CG2 ILE A 105 -5.128 6.761 -1.411 1.00 0.00 C ATOM 1547 CD1 ILE A 105 -4.753 4.507 0.627 1.00 0.00 C ATOM 0 H ILE A 105 -1.824 7.877 0.886 1.00 0.00 H new ATOM 0 HA ILE A 105 -2.419 6.961 -1.854 1.00 0.00 H new ATOM 0 HB ILE A 105 -4.324 7.203 0.515 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -3.373 4.737 -0.983 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -2.753 5.248 0.574 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -5.994 6.232 -1.014 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -5.395 7.800 -1.605 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -4.809 6.288 -2.340 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -4.430 3.487 0.834 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -5.002 5.006 1.564 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.631 4.486 -0.018 1.00 0.00 H new ATOM 1559 N ARG A 106 -2.901 9.305 -2.498 1.00 0.00 N ATOM 1560 CA ARG A 106 -3.223 10.660 -2.929 1.00 0.00 C ATOM 1561 C ARG A 106 -4.460 10.667 -3.822 1.00 0.00 C ATOM 1562 O ARG A 106 -4.609 9.819 -4.700 1.00 0.00 O ATOM 1563 CB ARG A 106 -2.038 11.276 -3.676 1.00 0.00 C ATOM 1564 CG ARG A 106 -1.952 10.855 -5.134 1.00 0.00 C ATOM 1565 CD ARG A 106 -0.834 11.587 -5.860 1.00 0.00 C ATOM 1566 NE ARG A 106 -1.102 13.018 -5.977 1.00 0.00 N ATOM 1567 CZ ARG A 106 -0.196 13.905 -6.372 1.00 0.00 C ATOM 1568 NH1 ARG A 106 1.030 13.510 -6.687 1.00 0.00 N ATOM 1569 NH2 ARG A 106 -0.516 15.190 -6.454 1.00 0.00 N ATOM 0 H ARG A 106 -2.483 8.720 -3.222 1.00 0.00 H new ATOM 0 HA ARG A 106 -3.434 11.256 -2.041 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -2.112 12.362 -3.624 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -1.114 10.994 -3.170 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -1.783 9.780 -5.194 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -2.902 11.057 -5.629 1.00 0.00 H new ATOM 0 HD2 ARG A 106 0.104 11.436 -5.326 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -0.707 11.160 -6.855 1.00 0.00 H new ATOM 0 HE ARG A 106 -2.036 13.354 -5.743 1.00 0.00 H new ATOM 0 HH11 ARG A 106 1.279 12.523 -6.626 1.00 0.00 H new ATOM 0 HH12 ARG A 106 1.724 14.193 -6.990 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -1.458 15.497 -6.214 1.00 0.00 H new ATOM 0 HH22 ARG A 106 0.180 15.871 -6.757 1.00 0.00 H new ATOM 1583 N GLY A 107 -5.346 11.631 -3.589 1.00 0.00 N ATOM 1584 CA GLY A 107 -6.559 11.730 -4.379 1.00 0.00 C ATOM 1585 C GLY A 107 -7.158 13.122 -4.352 1.00 0.00 C ATOM 1586 O GLY A 107 -6.929 13.885 -3.412 1.00 0.00 O ATOM 0 H GLY A 107 -5.245 12.345 -2.867 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -6.341 11.452 -5.410 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -7.292 11.015 -4.004 1.00 0.00 H new ATOM 1590 N CYS A 108 -7.925 13.455 -5.384 1.00 0.00 N ATOM 1591 CA CYS A 108 -8.556 14.767 -5.475 1.00 0.00 C ATOM 1592 C CYS A 108 -10.075 14.644 -5.423 1.00 0.00 C ATOM 1593 O CYS A 108 -10.680 13.940 -6.232 1.00 0.00 O ATOM 1594 CB CYS A 108 -8.134 15.470 -6.766 1.00 0.00 C ATOM 1595 SG CYS A 108 -6.393 15.239 -7.196 1.00 0.00 S ATOM 0 H CYS A 108 -8.125 12.835 -6.169 1.00 0.00 H new ATOM 0 HA CYS A 108 -8.228 15.361 -4.622 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -8.752 15.103 -7.586 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -8.335 16.537 -6.669 1.00 0.00 H new ATOM 0 HG CYS A 108 -5.688 16.204 -6.684 1.00 0.00 H new ATOM 1601 N VAL A 109 -10.687 15.332 -4.464 1.00 0.00 N ATOM 1602 CA VAL A 109 -12.136 15.300 -4.305 1.00 0.00 C ATOM 1603 C VAL A 109 -12.779 16.560 -4.873 1.00 0.00 C ATOM 1604 O VAL A 109 -12.498 17.671 -4.420 1.00 0.00 O ATOM 1605 CB VAL A 109 -12.535 15.155 -2.824 1.00 0.00 C ATOM 1606 CG1 VAL A 109 -14.045 15.034 -2.688 1.00 0.00 C ATOM 1607 CG2 VAL A 109 -11.837 13.957 -2.200 1.00 0.00 C ATOM 0 H VAL A 109 -10.201 15.918 -3.785 1.00 0.00 H new ATOM 0 HA VAL A 109 -12.496 14.432 -4.857 1.00 0.00 H new ATOM 0 HB VAL A 109 -12.217 16.050 -2.290 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -14.309 14.932 -1.635 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -14.520 15.926 -3.096 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -14.390 14.157 -3.235 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -12.130 13.869 -1.154 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -12.123 13.051 -2.734 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -10.757 14.091 -2.264 1.00 0.00 H new ATOM 1617 N ILE A 110 -13.644 16.381 -5.865 1.00 0.00 N ATOM 1618 CA ILE A 110 -14.329 17.504 -6.494 1.00 0.00 C ATOM 1619 C ILE A 110 -15.832 17.438 -6.248 1.00 0.00 C ATOM 1620 O ILE A 110 -16.344 16.450 -5.723 1.00 0.00 O ATOM 1621 CB ILE A 110 -14.070 17.543 -8.011 1.00 0.00 C ATOM 1622 CG1 ILE A 110 -14.287 16.158 -8.624 1.00 0.00 C ATOM 1623 CG2 ILE A 110 -12.659 18.039 -8.295 1.00 0.00 C ATOM 1624 CD1 ILE A 110 -13.122 15.216 -8.415 1.00 0.00 C ATOM 0 H ILE A 110 -13.888 15.469 -6.251 1.00 0.00 H new ATOM 0 HA ILE A 110 -13.928 18.411 -6.042 1.00 0.00 H new ATOM 0 HB ILE A 110 -14.777 18.236 -8.467 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -15.184 15.715 -8.192 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -14.468 16.267 -9.693 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -12.491 18.061 -9.372 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -12.537 19.043 -7.888 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -11.937 17.369 -7.829 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -13.345 14.254 -8.875 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -12.227 15.638 -8.872 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -12.954 15.077 -7.347 1.00 0.00 H new ATOM 1636 N GLY A 111 -16.536 18.499 -6.632 1.00 0.00 N ATOM 1637 CA GLY A 111 -17.975 18.541 -6.447 1.00 0.00 C ATOM 1638 C GLY A 111 -18.697 19.130 -7.642 1.00 0.00 C ATOM 1639 O GLY A 111 -18.079 19.572 -8.611 1.00 0.00 O ATOM 0 H GLY A 111 -16.135 19.330 -7.068 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -18.344 17.532 -6.265 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -18.207 19.130 -5.560 1.00 0.00 H new ATOM 1643 N PRO A 112 -20.037 19.139 -7.584 1.00 0.00 N ATOM 1644 CA PRO A 112 -20.872 19.675 -8.663 1.00 0.00 C ATOM 1645 C PRO A 112 -20.769 21.192 -8.778 1.00 0.00 C ATOM 1646 O PRO A 112 -19.751 21.783 -8.418 1.00 0.00 O ATOM 1647 CB PRO A 112 -22.289 19.265 -8.252 1.00 0.00 C ATOM 1648 CG PRO A 112 -22.226 19.121 -6.770 1.00 0.00 C ATOM 1649 CD PRO A 112 -20.839 18.629 -6.460 1.00 0.00 C ATOM 0 HA PRO A 112 -20.569 19.295 -9.639 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -23.020 20.018 -8.546 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -22.585 18.330 -8.729 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -22.422 20.073 -6.277 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -22.978 18.417 -6.414 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -20.481 19.012 -5.504 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -20.802 17.541 -6.401 1.00 0.00 H new