USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 673 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 80 GLN : amide:sc= -2.35 X(o=-1.9,f=-2.3) USER MOD Set 1.2: A 82 THR OG1 : rot 94:sc= 0.416 USER MOD Set 2.1: A 27 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 30 GLN : amide:sc= -0.456 X(o=-0.46,f=-0.036) USER MOD Single : A 6 LYS NZ :NH3+ 159:sc= -0.0362 (180deg=-0.292) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 177:sc= -0.0903 (180deg=-0.127) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -172:sc= 0.387 (180deg=0.349) USER MOD Single : A 22 THR OG1 : rot -149:sc= -1.12 USER MOD Single : A 24 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.0622) USER MOD Single : A 26 MET CE :methyl 154:sc= -0.969 (180deg=-1.21) USER MOD Single : A 28 LYS NZ :NH3+ -165:sc=-0.00301 (180deg=-0.117) USER MOD Single : A 32 MET CE :methyl 141:sc= -0.288 (180deg=-0.597) USER MOD Single : A 33 THR OG1 : rot 38:sc= -1.64! USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0877 USER MOD Single : A 63 LYS NZ :NH3+ -141:sc= 0.191 (180deg=-0.00344) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl 139:sc= -2.42! (180deg=-4.17!) USER MOD Single : A 68 ASN : amide:sc= -0.438 X(o=-0.44,f=-0.51) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 163:sc= -0.119 (180deg=-0.598) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= -0.0246 USER MOD Single : A 93 TYR OH : rot 14:sc= 0.312 USER MOD Single : A 97 LYS NZ :NH3+ -109:sc= -0.764 (180deg=-2.45) USER MOD Single : A 98 MET CE :methyl -133:sc= -1.31 (180deg=-2.55!) USER MOD ----------------------------------------------------------------- ATOM 74 N LYS A 6 8.246 10.292 -15.188 1.00 0.00 N ATOM 75 CA LYS A 6 7.216 9.312 -15.670 1.00 0.00 C ATOM 76 C LYS A 6 7.164 8.117 -14.704 1.00 0.00 C ATOM 77 O LYS A 6 6.322 8.064 -13.826 1.00 0.00 O ATOM 78 CB LYS A 6 7.524 8.816 -17.102 1.00 0.00 C ATOM 79 CG LYS A 6 8.794 9.468 -17.663 1.00 0.00 C ATOM 80 CD LYS A 6 10.032 8.808 -17.052 1.00 0.00 C ATOM 81 CE LYS A 6 10.325 7.486 -17.771 1.00 0.00 C ATOM 82 NZ LYS A 6 10.885 7.762 -19.127 1.00 0.00 N ATOM 0 HA LYS A 6 6.250 9.817 -15.697 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.643 7.733 -17.095 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.680 9.040 -17.755 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.816 9.368 -18.748 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.794 10.535 -17.442 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.890 9.476 -17.135 1.00 0.00 H new ATOM 0 HD3 LYS A 6 9.871 8.627 -15.989 1.00 0.00 H new ATOM 0 HE2 LYS A 6 11.031 6.894 -17.189 1.00 0.00 H new ATOM 0 HE3 LYS A 6 9.411 6.898 -17.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 11.402 6.926 -19.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 10.110 7.979 -19.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 11.534 8.573 -19.076 1.00 0.00 H new ATOM 96 N LEU A 7 8.057 7.164 -14.858 1.00 0.00 N ATOM 97 CA LEU A 7 8.070 5.970 -13.956 1.00 0.00 C ATOM 98 C LEU A 7 9.510 5.453 -13.814 1.00 0.00 C ATOM 99 O LEU A 7 10.342 5.666 -14.680 1.00 0.00 O ATOM 100 CB LEU A 7 7.188 4.866 -14.554 1.00 0.00 C ATOM 101 CG LEU A 7 5.747 5.034 -14.064 1.00 0.00 C ATOM 102 CD1 LEU A 7 4.882 5.590 -15.198 1.00 0.00 C ATOM 103 CD2 LEU A 7 5.195 3.677 -13.623 1.00 0.00 C ATOM 0 H LEU A 7 8.781 7.165 -15.576 1.00 0.00 H new ATOM 0 HA LEU A 7 7.685 6.251 -12.976 1.00 0.00 H new ATOM 0 HB2 LEU A 7 7.220 4.912 -15.643 1.00 0.00 H new ATOM 0 HB3 LEU A 7 7.569 3.886 -14.265 1.00 0.00 H new ATOM 0 HG LEU A 7 5.730 5.725 -13.221 1.00 0.00 H new ATOM 0 HD11 LEU A 7 3.856 5.709 -14.848 1.00 0.00 H new ATOM 0 HD12 LEU A 7 5.273 6.558 -15.513 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.900 4.900 -16.041 1.00 0.00 H new ATOM 0 HD21 LEU A 7 4.169 3.797 -13.274 1.00 0.00 H new ATOM 0 HD22 LEU A 7 5.213 2.986 -14.465 1.00 0.00 H new ATOM 0 HD23 LEU A 7 5.809 3.280 -12.815 1.00 0.00 H new ATOM 115 N HIS A 8 9.803 4.773 -12.732 1.00 0.00 N ATOM 116 CA HIS A 8 11.178 4.232 -12.523 1.00 0.00 C ATOM 117 C HIS A 8 11.128 3.098 -11.501 1.00 0.00 C ATOM 118 O HIS A 8 10.565 3.234 -10.429 1.00 0.00 O ATOM 119 CB HIS A 8 12.105 5.334 -12.009 1.00 0.00 C ATOM 120 CG HIS A 8 13.476 5.158 -12.600 1.00 0.00 C ATOM 121 ND1 HIS A 8 14.054 6.107 -13.427 1.00 0.00 N ATOM 122 CD2 HIS A 8 14.397 4.146 -12.490 1.00 0.00 C ATOM 123 CE1 HIS A 8 15.270 5.651 -13.781 1.00 0.00 C ATOM 124 NE2 HIS A 8 15.529 4.459 -13.236 1.00 0.00 N ATOM 0 H HIS A 8 9.143 4.570 -11.981 1.00 0.00 H new ATOM 0 HA HIS A 8 11.560 3.858 -13.473 1.00 0.00 H new ATOM 0 HB2 HIS A 8 11.706 6.312 -12.276 1.00 0.00 H new ATOM 0 HB3 HIS A 8 12.160 5.298 -10.921 1.00 0.00 H new ATOM 0 HD2 HIS A 8 14.263 3.244 -11.912 1.00 0.00 H new ATOM 0 HE1 HIS A 8 15.953 6.184 -14.427 1.00 0.00 H new ATOM 0 HE2 HIS A 8 16.375 3.899 -13.344 1.00 0.00 H new ATOM 132 N LYS A 9 11.722 1.986 -11.835 1.00 0.00 N ATOM 133 CA LYS A 9 11.737 0.810 -10.906 1.00 0.00 C ATOM 134 C LYS A 9 12.696 1.081 -9.740 1.00 0.00 C ATOM 135 O LYS A 9 13.706 1.747 -9.893 1.00 0.00 O ATOM 136 CB LYS A 9 12.188 -0.449 -11.660 1.00 0.00 C ATOM 137 CG LYS A 9 13.368 -0.118 -12.578 1.00 0.00 C ATOM 138 CD LYS A 9 14.246 -1.360 -12.754 1.00 0.00 C ATOM 139 CE LYS A 9 13.803 -2.129 -14.003 1.00 0.00 C ATOM 140 NZ LYS A 9 12.742 -3.114 -13.638 1.00 0.00 N ATOM 0 H LYS A 9 12.204 1.836 -12.721 1.00 0.00 H new ATOM 0 HA LYS A 9 10.731 0.654 -10.518 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.476 -1.224 -10.950 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.360 -0.847 -12.248 1.00 0.00 H new ATOM 0 HG2 LYS A 9 13.003 0.222 -13.547 1.00 0.00 H new ATOM 0 HG3 LYS A 9 13.954 0.697 -12.154 1.00 0.00 H new ATOM 0 HD2 LYS A 9 15.292 -1.068 -12.846 1.00 0.00 H new ATOM 0 HD3 LYS A 9 14.170 -1.999 -11.875 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.426 -1.435 -14.754 1.00 0.00 H new ATOM 0 HE3 LYS A 9 14.655 -2.645 -14.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 12.408 -3.598 -14.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 13.132 -3.814 -12.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 11.946 -2.617 -13.189 1.00 0.00 H new ATOM 154 N GLU A 10 12.384 0.562 -8.577 1.00 0.00 N ATOM 155 CA GLU A 10 13.258 0.769 -7.386 1.00 0.00 C ATOM 156 C GLU A 10 12.915 -0.314 -6.361 1.00 0.00 C ATOM 157 O GLU A 10 11.814 -0.331 -5.848 1.00 0.00 O ATOM 158 CB GLU A 10 12.993 2.157 -6.787 1.00 0.00 C ATOM 159 CG GLU A 10 14.275 2.694 -6.141 1.00 0.00 C ATOM 160 CD GLU A 10 14.352 2.232 -4.682 1.00 0.00 C ATOM 161 OE1 GLU A 10 13.688 2.831 -3.854 1.00 0.00 O ATOM 162 OE2 GLU A 10 15.073 1.285 -4.417 1.00 0.00 O ATOM 0 H GLU A 10 11.552 -0.002 -8.403 1.00 0.00 H new ATOM 0 HA GLU A 10 14.310 0.707 -7.666 1.00 0.00 H new ATOM 0 HB2 GLU A 10 12.652 2.840 -7.565 1.00 0.00 H new ATOM 0 HB3 GLU A 10 12.197 2.097 -6.044 1.00 0.00 H new ATOM 0 HG2 GLU A 10 15.147 2.340 -6.691 1.00 0.00 H new ATOM 0 HG3 GLU A 10 14.289 3.783 -6.189 1.00 0.00 H new ATOM 169 N PRO A 11 13.850 -1.204 -6.113 1.00 0.00 N ATOM 170 CA PRO A 11 13.641 -2.320 -5.176 1.00 0.00 C ATOM 171 C PRO A 11 13.060 -1.842 -3.842 1.00 0.00 C ATOM 172 O PRO A 11 13.579 -0.954 -3.190 1.00 0.00 O ATOM 173 CB PRO A 11 15.018 -2.950 -4.992 1.00 0.00 C ATOM 174 CG PRO A 11 15.942 -2.337 -6.063 1.00 0.00 C ATOM 175 CD PRO A 11 15.188 -1.172 -6.729 1.00 0.00 C ATOM 0 HA PRO A 11 12.916 -3.036 -5.563 1.00 0.00 H new ATOM 0 HB2 PRO A 11 15.402 -2.751 -3.992 1.00 0.00 H new ATOM 0 HB3 PRO A 11 14.964 -4.033 -5.103 1.00 0.00 H new ATOM 0 HG2 PRO A 11 16.868 -1.983 -5.610 1.00 0.00 H new ATOM 0 HG3 PRO A 11 16.216 -3.087 -6.805 1.00 0.00 H new ATOM 0 HD2 PRO A 11 15.687 -0.220 -6.547 1.00 0.00 H new ATOM 0 HD3 PRO A 11 15.131 -1.301 -7.810 1.00 0.00 H new ATOM 183 N ALA A 12 11.977 -2.454 -3.459 1.00 0.00 N ATOM 184 CA ALA A 12 11.284 -2.114 -2.185 1.00 0.00 C ATOM 185 C ALA A 12 11.457 -3.283 -1.205 1.00 0.00 C ATOM 186 O ALA A 12 12.428 -4.018 -1.276 1.00 0.00 O ATOM 187 CB ALA A 12 9.799 -1.885 -2.477 1.00 0.00 C ATOM 0 H ALA A 12 11.529 -3.199 -3.992 1.00 0.00 H new ATOM 0 HA ALA A 12 11.706 -1.210 -1.746 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.280 -1.635 -1.551 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.690 -1.065 -3.187 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.368 -2.792 -2.901 1.00 0.00 H new ATOM 193 N THR A 13 10.535 -3.462 -0.288 1.00 0.00 N ATOM 194 CA THR A 13 10.664 -4.583 0.693 1.00 0.00 C ATOM 195 C THR A 13 9.296 -4.895 1.313 1.00 0.00 C ATOM 196 O THR A 13 8.571 -4.006 1.727 1.00 0.00 O ATOM 197 CB THR A 13 11.667 -4.181 1.788 1.00 0.00 C ATOM 198 OG1 THR A 13 11.505 -5.016 2.930 1.00 0.00 O ATOM 199 CG2 THR A 13 11.437 -2.722 2.182 1.00 0.00 C ATOM 0 H THR A 13 9.703 -2.882 -0.178 1.00 0.00 H new ATOM 0 HA THR A 13 11.025 -5.477 0.184 1.00 0.00 H new ATOM 0 HB THR A 13 12.680 -4.299 1.403 1.00 0.00 H new ATOM 0 HG1 THR A 13 12.149 -4.754 3.621 1.00 0.00 H new ATOM 0 HG21 THR A 13 12.148 -2.438 2.958 1.00 0.00 H new ATOM 0 HG22 THR A 13 11.577 -2.083 1.310 1.00 0.00 H new ATOM 0 HG23 THR A 13 10.421 -2.603 2.560 1.00 0.00 H new ATOM 207 N LEU A 14 8.951 -6.161 1.383 1.00 0.00 N ATOM 208 CA LEU A 14 7.650 -6.576 1.977 1.00 0.00 C ATOM 209 C LEU A 14 7.578 -6.096 3.431 1.00 0.00 C ATOM 210 O LEU A 14 8.292 -6.589 4.288 1.00 0.00 O ATOM 211 CB LEU A 14 7.559 -8.110 1.935 1.00 0.00 C ATOM 212 CG LEU A 14 6.146 -8.575 2.296 1.00 0.00 C ATOM 213 CD1 LEU A 14 6.047 -10.087 2.084 1.00 0.00 C ATOM 214 CD2 LEU A 14 5.832 -8.258 3.763 1.00 0.00 C ATOM 0 H LEU A 14 9.529 -6.931 1.047 1.00 0.00 H new ATOM 0 HA LEU A 14 6.824 -6.139 1.415 1.00 0.00 H new ATOM 0 HB2 LEU A 14 7.823 -8.468 0.940 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.279 -8.542 2.630 1.00 0.00 H new ATOM 0 HG LEU A 14 5.432 -8.053 1.660 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.043 -10.425 2.339 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.255 -10.322 1.040 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.773 -10.592 2.721 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.823 -8.596 4.000 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.547 -8.770 4.407 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.902 -7.183 3.926 1.00 0.00 H new ATOM 226 N ILE A 15 6.709 -5.156 3.720 1.00 0.00 N ATOM 227 CA ILE A 15 6.580 -4.674 5.130 1.00 0.00 C ATOM 228 C ILE A 15 5.191 -5.055 5.657 1.00 0.00 C ATOM 229 O ILE A 15 5.052 -5.492 6.785 1.00 0.00 O ATOM 230 CB ILE A 15 6.794 -3.153 5.223 1.00 0.00 C ATOM 231 CG1 ILE A 15 6.315 -2.457 3.944 1.00 0.00 C ATOM 232 CG2 ILE A 15 8.285 -2.867 5.420 1.00 0.00 C ATOM 233 CD1 ILE A 15 6.504 -0.944 4.084 1.00 0.00 C ATOM 0 H ILE A 15 6.089 -4.706 3.046 1.00 0.00 H new ATOM 0 HA ILE A 15 7.350 -5.147 5.740 1.00 0.00 H new ATOM 0 HB ILE A 15 6.219 -2.770 6.066 1.00 0.00 H new ATOM 0 HG12 ILE A 15 6.875 -2.826 3.085 1.00 0.00 H new ATOM 0 HG13 ILE A 15 5.265 -2.688 3.763 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.443 -1.791 5.487 1.00 0.00 H new ATOM 0 HG22 ILE A 15 8.628 -3.342 6.339 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.847 -3.265 4.575 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.163 -0.449 3.175 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.924 -0.582 4.933 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.559 -0.722 4.244 1.00 0.00 H new ATOM 245 N LYS A 16 4.167 -4.915 4.838 1.00 0.00 N ATOM 246 CA LYS A 16 2.781 -5.287 5.268 1.00 0.00 C ATOM 247 C LYS A 16 1.779 -4.975 4.148 1.00 0.00 C ATOM 248 O LYS A 16 2.053 -4.200 3.249 1.00 0.00 O ATOM 249 CB LYS A 16 2.391 -4.493 6.522 1.00 0.00 C ATOM 250 CG LYS A 16 1.637 -5.406 7.492 1.00 0.00 C ATOM 251 CD LYS A 16 0.168 -4.982 7.558 1.00 0.00 C ATOM 252 CE LYS A 16 -0.709 -6.209 7.818 1.00 0.00 C ATOM 253 NZ LYS A 16 -2.138 -5.864 7.569 1.00 0.00 N ATOM 0 H LYS A 16 4.237 -4.557 3.886 1.00 0.00 H new ATOM 0 HA LYS A 16 2.761 -6.354 5.488 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.283 -4.092 7.003 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.767 -3.643 6.247 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.712 -6.443 7.165 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.087 -5.351 8.483 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.026 -4.247 8.350 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.125 -4.504 6.623 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.404 -7.030 7.169 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.580 -6.550 8.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.744 -6.652 7.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.387 -5.008 8.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.281 -5.690 6.554 1.00 0.00 H new ATOM 267 N ALA A 17 0.610 -5.565 4.214 1.00 0.00 N ATOM 268 CA ALA A 17 -0.439 -5.305 3.182 1.00 0.00 C ATOM 269 C ALA A 17 -1.669 -4.738 3.884 1.00 0.00 C ATOM 270 O ALA A 17 -2.432 -5.454 4.511 1.00 0.00 O ATOM 271 CB ALA A 17 -0.797 -6.609 2.460 1.00 0.00 C ATOM 0 H ALA A 17 0.337 -6.221 4.946 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.071 -4.594 2.442 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.562 -6.411 1.709 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.092 -7.012 1.975 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.176 -7.333 3.182 1.00 0.00 H new ATOM 277 N ILE A 18 -1.850 -3.446 3.784 1.00 0.00 N ATOM 278 CA ILE A 18 -3.014 -2.773 4.435 1.00 0.00 C ATOM 279 C ILE A 18 -4.328 -3.448 4.000 1.00 0.00 C ATOM 280 O ILE A 18 -5.287 -3.478 4.751 1.00 0.00 O ATOM 281 CB ILE A 18 -3.014 -1.300 4.013 1.00 0.00 C ATOM 282 CG1 ILE A 18 -1.876 -0.562 4.730 1.00 0.00 C ATOM 283 CG2 ILE A 18 -4.351 -0.647 4.384 1.00 0.00 C ATOM 284 CD1 ILE A 18 -0.947 0.084 3.697 1.00 0.00 C ATOM 0 H ILE A 18 -1.230 -2.819 3.271 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.933 -2.852 5.519 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.871 -1.240 2.934 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.285 0.201 5.393 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -1.314 -1.258 5.353 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.341 0.400 4.080 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.163 -1.165 3.874 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -4.500 -0.711 5.462 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -0.140 0.607 4.210 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.527 -0.688 3.052 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.512 0.793 3.092 1.00 0.00 H new ATOM 296 N ASP A 19 -4.372 -3.982 2.793 1.00 0.00 N ATOM 297 CA ASP A 19 -5.607 -4.662 2.281 1.00 0.00 C ATOM 298 C ASP A 19 -6.649 -3.615 1.870 1.00 0.00 C ATOM 299 O ASP A 19 -6.773 -2.568 2.483 1.00 0.00 O ATOM 300 CB ASP A 19 -6.200 -5.585 3.357 1.00 0.00 C ATOM 301 CG ASP A 19 -6.883 -6.783 2.687 1.00 0.00 C ATOM 302 OD1 ASP A 19 -8.055 -6.670 2.365 1.00 0.00 O ATOM 303 OD2 ASP A 19 -6.222 -7.793 2.508 1.00 0.00 O ATOM 0 H ASP A 19 -3.592 -3.973 2.136 1.00 0.00 H new ATOM 0 HA ASP A 19 -5.335 -5.263 1.413 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.413 -5.930 4.028 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -6.919 -5.036 3.965 1.00 0.00 H new ATOM 308 N GLY A 20 -7.397 -3.898 0.831 1.00 0.00 N ATOM 309 CA GLY A 20 -8.435 -2.937 0.355 1.00 0.00 C ATOM 310 C GLY A 20 -7.876 -2.137 -0.822 1.00 0.00 C ATOM 311 O GLY A 20 -7.882 -2.598 -1.950 1.00 0.00 O ATOM 0 H GLY A 20 -7.331 -4.760 0.290 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.333 -3.474 0.051 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.723 -2.265 1.163 1.00 0.00 H new ATOM 315 N ASP A 21 -7.394 -0.943 -0.566 1.00 0.00 N ATOM 316 CA ASP A 21 -6.830 -0.103 -1.663 1.00 0.00 C ATOM 317 C ASP A 21 -5.507 0.517 -1.204 1.00 0.00 C ATOM 318 O ASP A 21 -5.280 1.701 -1.384 1.00 0.00 O ATOM 319 CB ASP A 21 -7.820 1.019 -2.012 1.00 0.00 C ATOM 320 CG ASP A 21 -9.251 0.463 -2.076 1.00 0.00 C ATOM 321 OD1 ASP A 21 -9.515 -0.358 -2.941 1.00 0.00 O ATOM 322 OD2 ASP A 21 -10.058 0.871 -1.258 1.00 0.00 O ATOM 0 H ASP A 21 -7.368 -0.516 0.360 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.658 -0.725 -2.541 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.763 1.810 -1.264 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.552 1.465 -2.970 1.00 0.00 H new ATOM 327 N THR A 22 -4.630 -0.262 -0.609 1.00 0.00 N ATOM 328 CA THR A 22 -3.325 0.312 -0.148 1.00 0.00 C ATOM 329 C THR A 22 -2.284 -0.794 0.104 1.00 0.00 C ATOM 330 O THR A 22 -2.592 -1.848 0.634 1.00 0.00 O ATOM 331 CB THR A 22 -3.532 1.122 1.147 1.00 0.00 C ATOM 332 OG1 THR A 22 -4.682 0.647 1.840 1.00 0.00 O ATOM 333 CG2 THR A 22 -3.717 2.603 0.805 1.00 0.00 C ATOM 0 H THR A 22 -4.760 -1.257 -0.425 1.00 0.00 H new ATOM 0 HA THR A 22 -2.952 0.965 -0.937 1.00 0.00 H new ATOM 0 HB THR A 22 -2.656 1.003 1.784 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.097 1.387 2.331 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.863 3.173 1.723 1.00 0.00 H new ATOM 0 HG22 THR A 22 -2.831 2.970 0.287 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.589 2.722 0.162 1.00 0.00 H new ATOM 341 N VAL A 23 -1.046 -0.527 -0.249 1.00 0.00 N ATOM 342 CA VAL A 23 0.069 -1.508 -0.022 1.00 0.00 C ATOM 343 C VAL A 23 1.294 -0.722 0.459 1.00 0.00 C ATOM 344 O VAL A 23 1.528 0.384 0.009 1.00 0.00 O ATOM 345 CB VAL A 23 0.402 -2.257 -1.321 1.00 0.00 C ATOM 346 CG1 VAL A 23 -0.787 -3.129 -1.736 1.00 0.00 C ATOM 347 CG2 VAL A 23 0.711 -1.255 -2.439 1.00 0.00 C ATOM 0 H VAL A 23 -0.756 0.345 -0.693 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.229 -2.247 0.722 1.00 0.00 H new ATOM 0 HB VAL A 23 1.275 -2.888 -1.151 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.546 -3.658 -2.658 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.001 -3.851 -0.948 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -1.662 -2.499 -1.898 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.946 -1.795 -3.356 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.157 -0.617 -2.606 1.00 0.00 H new ATOM 0 HG23 VAL A 23 1.564 -0.640 -2.151 1.00 0.00 H new ATOM 357 N LYS A 24 2.072 -1.258 1.376 1.00 0.00 N ATOM 358 CA LYS A 24 3.252 -0.487 1.871 1.00 0.00 C ATOM 359 C LYS A 24 4.559 -1.210 1.549 1.00 0.00 C ATOM 360 O LYS A 24 4.650 -2.423 1.606 1.00 0.00 O ATOM 361 CB LYS A 24 3.138 -0.265 3.388 1.00 0.00 C ATOM 362 CG LYS A 24 2.794 -1.575 4.095 1.00 0.00 C ATOM 363 CD LYS A 24 3.040 -1.423 5.597 1.00 0.00 C ATOM 364 CE LYS A 24 1.721 -1.106 6.309 1.00 0.00 C ATOM 365 NZ LYS A 24 1.881 -1.324 7.775 1.00 0.00 N ATOM 0 H LYS A 24 1.941 -2.179 1.794 1.00 0.00 H new ATOM 0 HA LYS A 24 3.262 0.478 1.363 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.078 0.129 3.776 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.370 0.480 3.596 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.752 -1.837 3.911 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.402 -2.387 3.696 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.470 -2.340 5.999 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.762 -0.627 5.778 1.00 0.00 H new ATOM 0 HE2 LYS A 24 1.429 -0.074 6.114 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.925 -1.741 5.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.944 -1.410 8.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 2.423 -2.196 7.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.388 -0.518 8.193 1.00 0.00 H new ATOM 379 N LEU A 25 5.571 -0.444 1.222 1.00 0.00 N ATOM 380 CA LEU A 25 6.912 -1.013 0.897 1.00 0.00 C ATOM 381 C LEU A 25 7.980 0.000 1.308 1.00 0.00 C ATOM 382 O LEU A 25 7.869 1.179 1.013 1.00 0.00 O ATOM 383 CB LEU A 25 7.034 -1.262 -0.608 1.00 0.00 C ATOM 384 CG LEU A 25 6.111 -2.400 -1.033 1.00 0.00 C ATOM 385 CD1 LEU A 25 4.844 -1.828 -1.673 1.00 0.00 C ATOM 386 CD2 LEU A 25 6.841 -3.274 -2.047 1.00 0.00 C ATOM 0 H LEU A 25 5.520 0.573 1.166 1.00 0.00 H new ATOM 0 HA LEU A 25 7.040 -1.956 1.428 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.779 -0.354 -1.155 1.00 0.00 H new ATOM 0 HB3 LEU A 25 8.066 -1.508 -0.860 1.00 0.00 H new ATOM 0 HG LEU A 25 5.834 -2.992 -0.161 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.188 -2.645 -1.975 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.327 -1.194 -0.953 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.114 -1.237 -2.548 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.190 -4.091 -2.358 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.111 -2.674 -2.916 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.744 -3.682 -1.593 1.00 0.00 H new ATOM 398 N MET A 26 9.012 -0.444 1.975 1.00 0.00 N ATOM 399 CA MET A 26 10.090 0.498 2.393 1.00 0.00 C ATOM 400 C MET A 26 11.066 0.684 1.222 1.00 0.00 C ATOM 401 O MET A 26 12.151 0.128 1.201 1.00 0.00 O ATOM 402 CB MET A 26 10.823 -0.058 3.619 1.00 0.00 C ATOM 403 CG MET A 26 10.239 0.564 4.889 1.00 0.00 C ATOM 404 SD MET A 26 10.759 -0.403 6.328 1.00 0.00 S ATOM 405 CE MET A 26 11.789 0.868 7.100 1.00 0.00 C ATOM 0 H MET A 26 9.155 -1.416 2.248 1.00 0.00 H new ATOM 0 HA MET A 26 9.658 1.462 2.661 1.00 0.00 H new ATOM 0 HB2 MET A 26 10.724 -1.143 3.654 1.00 0.00 H new ATOM 0 HB3 MET A 26 11.888 0.163 3.550 1.00 0.00 H new ATOM 0 HG2 MET A 26 10.576 1.596 4.990 1.00 0.00 H new ATOM 0 HG3 MET A 26 9.151 0.589 4.828 1.00 0.00 H new ATOM 0 HE1 MET A 26 11.839 0.693 8.175 1.00 0.00 H new ATOM 0 HE2 MET A 26 12.793 0.828 6.679 1.00 0.00 H new ATOM 0 HE3 MET A 26 11.356 1.851 6.912 1.00 0.00 H new ATOM 415 N TYR A 27 10.674 1.467 0.243 1.00 0.00 N ATOM 416 CA TYR A 27 11.556 1.704 -0.943 1.00 0.00 C ATOM 417 C TYR A 27 12.653 2.717 -0.564 1.00 0.00 C ATOM 418 O TYR A 27 13.790 2.592 -0.983 1.00 0.00 O ATOM 419 CB TYR A 27 10.713 2.244 -2.113 1.00 0.00 C ATOM 420 CG TYR A 27 10.364 3.693 -1.868 1.00 0.00 C ATOM 421 CD1 TYR A 27 9.310 4.027 -1.011 1.00 0.00 C ATOM 422 CD2 TYR A 27 11.110 4.703 -2.484 1.00 0.00 C ATOM 423 CE1 TYR A 27 9.000 5.369 -0.772 1.00 0.00 C ATOM 424 CE2 TYR A 27 10.802 6.045 -2.244 1.00 0.00 C ATOM 425 CZ TYR A 27 9.748 6.379 -1.388 1.00 0.00 C ATOM 426 OH TYR A 27 9.445 7.704 -1.150 1.00 0.00 O ATOM 0 H TYR A 27 9.778 1.953 0.216 1.00 0.00 H new ATOM 0 HA TYR A 27 12.023 0.768 -1.250 1.00 0.00 H new ATOM 0 HB2 TYR A 27 11.267 2.147 -3.047 1.00 0.00 H new ATOM 0 HB3 TYR A 27 9.802 1.654 -2.219 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.735 3.247 -0.534 1.00 0.00 H new ATOM 0 HD2 TYR A 27 11.924 4.446 -3.145 1.00 0.00 H new ATOM 0 HE1 TYR A 27 8.184 5.626 -0.113 1.00 0.00 H new ATOM 0 HE2 TYR A 27 11.378 6.824 -2.720 1.00 0.00 H new ATOM 0 HH TYR A 27 10.061 8.276 -1.654 1.00 0.00 H new ATOM 436 N LYS A 28 12.318 3.708 0.239 1.00 0.00 N ATOM 437 CA LYS A 28 13.325 4.722 0.665 1.00 0.00 C ATOM 438 C LYS A 28 13.610 4.548 2.163 1.00 0.00 C ATOM 439 O LYS A 28 13.839 5.505 2.883 1.00 0.00 O ATOM 440 CB LYS A 28 12.775 6.129 0.388 1.00 0.00 C ATOM 441 CG LYS A 28 13.902 7.161 0.481 1.00 0.00 C ATOM 442 CD LYS A 28 13.599 8.153 1.610 1.00 0.00 C ATOM 443 CE LYS A 28 12.647 9.242 1.106 1.00 0.00 C ATOM 444 NZ LYS A 28 13.401 10.223 0.273 1.00 0.00 N ATOM 0 H LYS A 28 11.381 3.852 0.616 1.00 0.00 H new ATOM 0 HA LYS A 28 14.252 4.588 0.107 1.00 0.00 H new ATOM 0 HB2 LYS A 28 12.321 6.162 -0.603 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.991 6.369 1.106 1.00 0.00 H new ATOM 0 HG2 LYS A 28 14.852 6.661 0.668 1.00 0.00 H new ATOM 0 HG3 LYS A 28 14.002 7.692 -0.466 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.152 7.630 2.455 1.00 0.00 H new ATOM 0 HD3 LYS A 28 14.525 8.604 1.968 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.844 8.794 0.520 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.180 9.750 1.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.829 11.082 0.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.293 10.469 0.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.608 9.803 -0.656 1.00 0.00 H new ATOM 458 N GLY A 29 13.592 3.325 2.638 1.00 0.00 N ATOM 459 CA GLY A 29 13.847 3.073 4.085 1.00 0.00 C ATOM 460 C GLY A 29 12.656 3.570 4.919 1.00 0.00 C ATOM 461 O GLY A 29 12.761 3.724 6.122 1.00 0.00 O ATOM 0 H GLY A 29 13.411 2.490 2.081 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.003 2.008 4.256 1.00 0.00 H new ATOM 0 HA3 GLY A 29 14.759 3.583 4.397 1.00 0.00 H new ATOM 465 N GLN A 30 11.529 3.823 4.288 1.00 0.00 N ATOM 466 CA GLN A 30 10.330 4.309 5.037 1.00 0.00 C ATOM 467 C GLN A 30 9.065 3.635 4.477 1.00 0.00 C ATOM 468 O GLN A 30 8.860 3.613 3.276 1.00 0.00 O ATOM 469 CB GLN A 30 10.207 5.838 4.905 1.00 0.00 C ATOM 470 CG GLN A 30 10.650 6.287 3.504 1.00 0.00 C ATOM 471 CD GLN A 30 10.274 7.756 3.279 1.00 0.00 C ATOM 472 OE1 GLN A 30 10.545 8.602 4.110 1.00 0.00 O ATOM 473 NE2 GLN A 30 9.663 8.100 2.177 1.00 0.00 N ATOM 0 H GLN A 30 11.392 3.712 3.283 1.00 0.00 H new ATOM 0 HA GLN A 30 10.441 4.054 6.091 1.00 0.00 H new ATOM 0 HB2 GLN A 30 9.176 6.144 5.084 1.00 0.00 H new ATOM 0 HB3 GLN A 30 10.820 6.326 5.662 1.00 0.00 H new ATOM 0 HG2 GLN A 30 11.727 6.158 3.396 1.00 0.00 H new ATOM 0 HG3 GLN A 30 10.177 5.662 2.747 1.00 0.00 H new ATOM 0 HE21 GLN A 30 9.435 7.393 1.478 1.00 0.00 H new ATOM 0 HE22 GLN A 30 9.414 9.076 2.015 1.00 0.00 H new ATOM 482 N PRO A 31 8.254 3.101 5.371 1.00 0.00 N ATOM 483 CA PRO A 31 6.999 2.416 4.995 1.00 0.00 C ATOM 484 C PRO A 31 6.043 3.404 4.314 1.00 0.00 C ATOM 485 O PRO A 31 5.564 4.343 4.928 1.00 0.00 O ATOM 486 CB PRO A 31 6.409 1.914 6.321 1.00 0.00 C ATOM 487 CG PRO A 31 7.356 2.371 7.461 1.00 0.00 C ATOM 488 CD PRO A 31 8.525 3.136 6.821 1.00 0.00 C ATOM 0 HA PRO A 31 7.165 1.601 4.291 1.00 0.00 H new ATOM 0 HB2 PRO A 31 5.407 2.317 6.471 1.00 0.00 H new ATOM 0 HB3 PRO A 31 6.317 0.828 6.312 1.00 0.00 H new ATOM 0 HG2 PRO A 31 6.824 3.008 8.168 1.00 0.00 H new ATOM 0 HG3 PRO A 31 7.723 1.511 8.021 1.00 0.00 H new ATOM 0 HD2 PRO A 31 8.575 4.161 7.189 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.480 2.666 7.056 1.00 0.00 H new ATOM 496 N MET A 32 5.775 3.199 3.049 1.00 0.00 N ATOM 497 CA MET A 32 4.861 4.121 2.306 1.00 0.00 C ATOM 498 C MET A 32 3.549 3.395 1.969 1.00 0.00 C ATOM 499 O MET A 32 3.269 2.331 2.481 1.00 0.00 O ATOM 500 CB MET A 32 5.554 4.567 1.012 1.00 0.00 C ATOM 501 CG MET A 32 6.053 6.005 1.162 1.00 0.00 C ATOM 502 SD MET A 32 7.253 6.094 2.514 1.00 0.00 S ATOM 503 CE MET A 32 6.297 7.167 3.614 1.00 0.00 C ATOM 0 H MET A 32 6.152 2.429 2.496 1.00 0.00 H new ATOM 0 HA MET A 32 4.633 4.990 2.923 1.00 0.00 H new ATOM 0 HB2 MET A 32 6.390 3.904 0.789 1.00 0.00 H new ATOM 0 HB3 MET A 32 4.860 4.498 0.174 1.00 0.00 H new ATOM 0 HG2 MET A 32 6.512 6.340 0.232 1.00 0.00 H new ATOM 0 HG3 MET A 32 5.215 6.672 1.362 1.00 0.00 H new ATOM 0 HE1 MET A 32 6.426 6.838 4.645 1.00 0.00 H new ATOM 0 HE2 MET A 32 6.647 8.195 3.514 1.00 0.00 H new ATOM 0 HE3 MET A 32 5.242 7.115 3.346 1.00 0.00 H new ATOM 513 N THR A 33 2.747 3.973 1.109 1.00 0.00 N ATOM 514 CA THR A 33 1.450 3.340 0.713 1.00 0.00 C ATOM 515 C THR A 33 1.207 3.656 -0.770 1.00 0.00 C ATOM 516 O THR A 33 0.852 4.765 -1.127 1.00 0.00 O ATOM 517 CB THR A 33 0.311 3.884 1.596 1.00 0.00 C ATOM 518 OG1 THR A 33 -0.941 3.671 0.954 1.00 0.00 O ATOM 519 CG2 THR A 33 0.509 5.382 1.851 1.00 0.00 C ATOM 0 H THR A 33 2.938 4.868 0.659 1.00 0.00 H new ATOM 0 HA THR A 33 1.484 2.260 0.854 1.00 0.00 H new ATOM 0 HB THR A 33 0.323 3.356 2.550 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.931 2.804 0.498 1.00 0.00 H new ATOM 0 HG21 THR A 33 -0.302 5.755 2.476 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.461 5.542 2.358 1.00 0.00 H new ATOM 0 HG23 THR A 33 0.510 5.916 0.901 1.00 0.00 H new ATOM 527 N PHE A 34 1.438 2.696 -1.637 1.00 0.00 N ATOM 528 CA PHE A 34 1.276 2.942 -3.106 1.00 0.00 C ATOM 529 C PHE A 34 -0.049 2.378 -3.621 1.00 0.00 C ATOM 530 O PHE A 34 -0.139 1.218 -3.989 1.00 0.00 O ATOM 531 CB PHE A 34 2.435 2.280 -3.872 1.00 0.00 C ATOM 532 CG PHE A 34 3.706 2.342 -3.058 1.00 0.00 C ATOM 533 CD1 PHE A 34 4.005 1.324 -2.145 1.00 0.00 C ATOM 534 CD2 PHE A 34 4.585 3.415 -3.218 1.00 0.00 C ATOM 535 CE1 PHE A 34 5.182 1.386 -1.395 1.00 0.00 C ATOM 536 CE2 PHE A 34 5.764 3.476 -2.468 1.00 0.00 C ATOM 537 CZ PHE A 34 6.063 2.461 -1.556 1.00 0.00 C ATOM 0 H PHE A 34 1.732 1.751 -1.389 1.00 0.00 H new ATOM 0 HA PHE A 34 1.282 4.020 -3.269 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.187 1.242 -4.093 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.582 2.783 -4.828 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.327 0.492 -2.021 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.354 4.200 -3.923 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.413 0.602 -0.689 1.00 0.00 H new ATOM 0 HE2 PHE A 34 6.442 4.307 -2.594 1.00 0.00 H new ATOM 0 HZ PHE A 34 6.973 2.506 -0.976 1.00 0.00 H new ATOM 547 N ARG A 35 -1.076 3.193 -3.674 1.00 0.00 N ATOM 548 CA ARG A 35 -2.383 2.702 -4.193 1.00 0.00 C ATOM 549 C ARG A 35 -3.306 3.865 -4.560 1.00 0.00 C ATOM 550 O ARG A 35 -3.536 4.760 -3.774 1.00 0.00 O ATOM 551 CB ARG A 35 -3.055 1.824 -3.150 1.00 0.00 C ATOM 552 CG ARG A 35 -3.831 0.712 -3.852 1.00 0.00 C ATOM 553 CD ARG A 35 -3.038 -0.593 -3.786 1.00 0.00 C ATOM 554 NE ARG A 35 -2.294 -0.769 -5.067 1.00 0.00 N ATOM 555 CZ ARG A 35 -1.381 -1.697 -5.175 1.00 0.00 C ATOM 556 NH1 ARG A 35 -1.700 -2.952 -4.988 1.00 0.00 N ATOM 557 NH2 ARG A 35 -0.152 -1.368 -5.479 1.00 0.00 N ATOM 0 H ARG A 35 -1.062 4.170 -3.381 1.00 0.00 H new ATOM 0 HA ARG A 35 -2.192 2.120 -5.095 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -2.308 1.396 -2.482 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -3.728 2.421 -2.535 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -4.805 0.581 -3.380 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -4.015 0.984 -4.891 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -2.343 -0.570 -2.946 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -3.710 -1.435 -3.621 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.499 -0.163 -5.861 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -2.661 -3.205 -4.758 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.988 -3.677 -5.072 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.091 -0.389 -5.631 1.00 0.00 H new ATOM 0 HH22 ARG A 35 0.563 -2.090 -5.564 1.00 0.00 H new ATOM 571 N LEU A 36 -3.842 3.814 -5.753 1.00 0.00 N ATOM 572 CA LEU A 36 -4.788 4.862 -6.269 1.00 0.00 C ATOM 573 C LEU A 36 -4.807 4.751 -7.793 1.00 0.00 C ATOM 574 O LEU A 36 -5.847 4.560 -8.399 1.00 0.00 O ATOM 575 CB LEU A 36 -4.344 6.280 -5.869 1.00 0.00 C ATOM 576 CG LEU A 36 -5.518 7.030 -5.219 1.00 0.00 C ATOM 577 CD1 LEU A 36 -6.748 6.960 -6.129 1.00 0.00 C ATOM 578 CD2 LEU A 36 -5.855 6.397 -3.865 1.00 0.00 C ATOM 0 H LEU A 36 -3.658 3.062 -6.418 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.776 4.697 -5.839 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.506 6.226 -5.174 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.995 6.823 -6.747 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.233 8.072 -5.072 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.576 7.493 -5.663 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.516 7.419 -7.090 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -7.028 5.918 -6.283 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.688 6.933 -3.410 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.132 5.353 -4.010 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.985 6.454 -3.210 1.00 0.00 H new ATOM 590 N LEU A 37 -3.648 4.828 -8.408 1.00 0.00 N ATOM 591 CA LEU A 37 -3.561 4.683 -9.890 1.00 0.00 C ATOM 592 C LEU A 37 -3.634 3.188 -10.210 1.00 0.00 C ATOM 593 O LEU A 37 -4.236 2.780 -11.188 1.00 0.00 O ATOM 594 CB LEU A 37 -2.230 5.257 -10.394 1.00 0.00 C ATOM 595 CG LEU A 37 -2.501 6.369 -11.411 1.00 0.00 C ATOM 596 CD1 LEU A 37 -1.327 7.350 -11.421 1.00 0.00 C ATOM 597 CD2 LEU A 37 -2.663 5.757 -12.807 1.00 0.00 C ATOM 0 H LEU A 37 -2.756 4.986 -7.940 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.373 5.222 -10.377 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.652 5.649 -9.557 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.633 4.469 -10.853 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.414 6.896 -11.135 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.520 8.141 -12.145 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.209 7.786 -10.429 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.414 6.822 -11.696 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.856 6.549 -13.531 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.750 5.229 -13.081 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.499 5.057 -12.803 1.00 0.00 H new ATOM 609 N LEU A 38 -3.045 2.369 -9.362 1.00 0.00 N ATOM 610 CA LEU A 38 -3.090 0.893 -9.562 1.00 0.00 C ATOM 611 C LEU A 38 -4.482 0.403 -9.138 1.00 0.00 C ATOM 612 O LEU A 38 -5.294 0.039 -9.968 1.00 0.00 O ATOM 613 CB LEU A 38 -1.998 0.231 -8.699 1.00 0.00 C ATOM 614 CG LEU A 38 -1.830 -1.257 -9.059 1.00 0.00 C ATOM 615 CD1 LEU A 38 -2.913 -2.087 -8.365 1.00 0.00 C ATOM 616 CD2 LEU A 38 -1.935 -1.452 -10.576 1.00 0.00 C ATOM 0 H LEU A 38 -2.532 2.671 -8.534 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.910 0.633 -10.605 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.051 0.752 -8.843 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.257 0.326 -7.644 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.847 -1.587 -8.723 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.788 -3.138 -8.624 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.827 -1.967 -7.285 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.896 -1.748 -8.691 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.814 -2.508 -10.816 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.911 -1.111 -10.920 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.154 -0.876 -11.072 1.00 0.00 H new ATOM 628 N VAL A 39 -4.767 0.422 -7.853 1.00 0.00 N ATOM 629 CA VAL A 39 -6.113 -0.008 -7.368 1.00 0.00 C ATOM 630 C VAL A 39 -7.088 1.168 -7.531 1.00 0.00 C ATOM 631 O VAL A 39 -7.103 2.091 -6.734 1.00 0.00 O ATOM 632 CB VAL A 39 -6.033 -0.442 -5.892 1.00 0.00 C ATOM 633 CG1 VAL A 39 -7.445 -0.595 -5.316 1.00 0.00 C ATOM 634 CG2 VAL A 39 -5.305 -1.787 -5.797 1.00 0.00 C ATOM 0 H VAL A 39 -4.121 0.718 -7.122 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.464 -0.860 -7.950 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.491 0.315 -5.326 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.381 -0.902 -4.272 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.970 0.358 -5.382 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.990 -1.350 -5.883 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.247 -2.096 -4.753 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.851 -2.538 -6.368 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -4.298 -1.685 -6.202 1.00 0.00 H new ATOM 870 N TYR A 54 -14.793 -6.516 -2.223 1.00 0.00 N ATOM 871 CA TYR A 54 -14.092 -6.501 -0.903 1.00 0.00 C ATOM 872 C TYR A 54 -12.614 -6.851 -1.109 1.00 0.00 C ATOM 873 O TYR A 54 -11.733 -6.180 -0.602 1.00 0.00 O ATOM 874 CB TYR A 54 -14.739 -7.534 0.026 1.00 0.00 C ATOM 875 CG TYR A 54 -14.584 -7.097 1.463 1.00 0.00 C ATOM 876 CD1 TYR A 54 -15.539 -6.253 2.044 1.00 0.00 C ATOM 877 CD2 TYR A 54 -13.489 -7.537 2.218 1.00 0.00 C ATOM 878 CE1 TYR A 54 -15.398 -5.847 3.375 1.00 0.00 C ATOM 879 CE2 TYR A 54 -13.349 -7.133 3.550 1.00 0.00 C ATOM 880 CZ TYR A 54 -14.304 -6.288 4.130 1.00 0.00 C ATOM 881 OH TYR A 54 -14.166 -5.889 5.444 1.00 0.00 O ATOM 0 HA TYR A 54 -14.171 -5.510 -0.456 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -15.796 -7.645 -0.218 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -14.274 -8.509 -0.119 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -16.385 -5.915 1.464 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -12.752 -8.189 1.771 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -16.133 -5.193 3.821 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -12.505 -7.473 4.131 1.00 0.00 H new ATOM 0 HH TYR A 54 -13.354 -6.286 5.823 1.00 0.00 H new ATOM 891 N GLY A 55 -12.343 -7.901 -1.850 1.00 0.00 N ATOM 892 CA GLY A 55 -10.930 -8.315 -2.102 1.00 0.00 C ATOM 893 C GLY A 55 -10.874 -9.834 -2.300 1.00 0.00 C ATOM 894 O GLY A 55 -10.490 -10.555 -1.399 1.00 0.00 O ATOM 0 H GLY A 55 -13.047 -8.491 -2.293 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -10.542 -7.807 -2.985 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -10.298 -8.023 -1.263 1.00 0.00 H new ATOM 898 N PRO A 56 -11.268 -10.273 -3.479 1.00 0.00 N ATOM 899 CA PRO A 56 -11.280 -11.707 -3.828 1.00 0.00 C ATOM 900 C PRO A 56 -9.843 -12.221 -3.995 1.00 0.00 C ATOM 901 O PRO A 56 -8.891 -11.585 -3.572 1.00 0.00 O ATOM 902 CB PRO A 56 -12.032 -11.774 -5.167 1.00 0.00 C ATOM 903 CG PRO A 56 -12.278 -10.320 -5.640 1.00 0.00 C ATOM 904 CD PRO A 56 -11.735 -9.380 -4.554 1.00 0.00 C ATOM 0 HA PRO A 56 -11.750 -12.320 -3.059 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -11.449 -12.324 -5.906 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -12.978 -12.303 -5.049 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -11.777 -10.137 -6.591 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -13.342 -10.145 -5.801 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -10.922 -8.763 -4.936 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -12.509 -8.701 -4.196 1.00 0.00 H new ATOM 912 N GLU A 57 -9.679 -13.360 -4.619 1.00 0.00 N ATOM 913 CA GLU A 57 -8.308 -13.911 -4.830 1.00 0.00 C ATOM 914 C GLU A 57 -7.669 -13.227 -6.040 1.00 0.00 C ATOM 915 O GLU A 57 -6.505 -12.874 -6.012 1.00 0.00 O ATOM 916 CB GLU A 57 -8.388 -15.419 -5.070 1.00 0.00 C ATOM 917 CG GLU A 57 -7.430 -16.126 -4.110 1.00 0.00 C ATOM 918 CD GLU A 57 -7.641 -17.641 -4.188 1.00 0.00 C ATOM 919 OE1 GLU A 57 -8.492 -18.140 -3.467 1.00 0.00 O ATOM 920 OE2 GLU A 57 -6.947 -18.279 -4.964 1.00 0.00 O ATOM 0 H GLU A 57 -10.437 -13.932 -4.991 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.701 -13.724 -3.944 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -9.407 -15.772 -4.913 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -8.126 -15.651 -6.102 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.399 -15.880 -4.364 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.599 -15.778 -3.091 1.00 0.00 H new ATOM 927 N ALA A 58 -8.428 -13.026 -7.099 1.00 0.00 N ATOM 928 CA ALA A 58 -7.881 -12.352 -8.318 1.00 0.00 C ATOM 929 C ALA A 58 -7.319 -10.979 -7.932 1.00 0.00 C ATOM 930 O ALA A 58 -6.222 -10.618 -8.321 1.00 0.00 O ATOM 931 CB ALA A 58 -9.000 -12.170 -9.350 1.00 0.00 C ATOM 0 H ALA A 58 -9.407 -13.303 -7.167 1.00 0.00 H new ATOM 0 HA ALA A 58 -7.088 -12.966 -8.746 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -8.600 -11.679 -10.237 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -9.403 -13.145 -9.625 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -9.793 -11.557 -8.922 1.00 0.00 H new ATOM 937 N SER A 59 -8.062 -10.221 -7.156 1.00 0.00 N ATOM 938 CA SER A 59 -7.580 -8.875 -6.721 1.00 0.00 C ATOM 939 C SER A 59 -6.484 -9.040 -5.661 1.00 0.00 C ATOM 940 O SER A 59 -5.576 -8.233 -5.575 1.00 0.00 O ATOM 941 CB SER A 59 -8.748 -8.081 -6.129 1.00 0.00 C ATOM 942 OG SER A 59 -8.482 -6.690 -6.256 1.00 0.00 O ATOM 0 H SER A 59 -8.984 -10.481 -6.806 1.00 0.00 H new ATOM 0 HA SER A 59 -7.175 -8.340 -7.580 1.00 0.00 H new ATOM 0 HB2 SER A 59 -9.674 -8.335 -6.645 1.00 0.00 H new ATOM 0 HB3 SER A 59 -8.886 -8.342 -5.080 1.00 0.00 H new ATOM 0 HG SER A 59 -9.228 -6.179 -5.879 1.00 0.00 H new ATOM 948 N ALA A 60 -6.557 -10.084 -4.859 1.00 0.00 N ATOM 949 CA ALA A 60 -5.515 -10.309 -3.811 1.00 0.00 C ATOM 950 C ALA A 60 -4.163 -10.570 -4.484 1.00 0.00 C ATOM 951 O ALA A 60 -3.131 -10.164 -3.987 1.00 0.00 O ATOM 952 CB ALA A 60 -5.899 -11.517 -2.953 1.00 0.00 C ATOM 0 H ALA A 60 -7.296 -10.787 -4.890 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.443 -9.425 -3.178 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.137 -11.678 -2.190 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -6.860 -11.332 -2.473 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.974 -12.403 -3.584 1.00 0.00 H new ATOM 958 N PHE A 61 -4.164 -11.241 -5.614 1.00 0.00 N ATOM 959 CA PHE A 61 -2.882 -11.531 -6.331 1.00 0.00 C ATOM 960 C PHE A 61 -2.161 -10.215 -6.655 1.00 0.00 C ATOM 961 O PHE A 61 -0.973 -10.084 -6.430 1.00 0.00 O ATOM 962 CB PHE A 61 -3.170 -12.278 -7.642 1.00 0.00 C ATOM 963 CG PHE A 61 -3.928 -13.561 -7.366 1.00 0.00 C ATOM 964 CD1 PHE A 61 -3.661 -14.313 -6.213 1.00 0.00 C ATOM 965 CD2 PHE A 61 -4.899 -14.000 -8.276 1.00 0.00 C ATOM 966 CE1 PHE A 61 -4.364 -15.498 -5.972 1.00 0.00 C ATOM 967 CE2 PHE A 61 -5.601 -15.186 -8.034 1.00 0.00 C ATOM 968 CZ PHE A 61 -5.334 -15.935 -6.883 1.00 0.00 C ATOM 0 H PHE A 61 -5.002 -11.601 -6.071 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.254 -12.149 -5.690 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -3.751 -11.642 -8.310 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -2.234 -12.504 -8.152 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.912 -13.977 -5.511 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.106 -13.422 -9.165 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.159 -16.076 -5.083 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -6.349 -15.523 -8.736 1.00 0.00 H new ATOM 0 HZ PHE A 61 -5.876 -16.850 -6.697 1.00 0.00 H new ATOM 978 N THR A 62 -2.877 -9.246 -7.184 1.00 0.00 N ATOM 979 CA THR A 62 -2.249 -7.930 -7.538 1.00 0.00 C ATOM 980 C THR A 62 -1.747 -7.220 -6.271 1.00 0.00 C ATOM 981 O THR A 62 -0.711 -6.586 -6.290 1.00 0.00 O ATOM 982 CB THR A 62 -3.269 -7.020 -8.254 1.00 0.00 C ATOM 983 OG1 THR A 62 -4.450 -7.749 -8.579 1.00 0.00 O ATOM 984 CG2 THR A 62 -2.644 -6.465 -9.536 1.00 0.00 C ATOM 0 H THR A 62 -3.875 -9.312 -7.386 1.00 0.00 H new ATOM 0 HA THR A 62 -1.408 -8.125 -8.204 1.00 0.00 H new ATOM 0 HB THR A 62 -3.536 -6.201 -7.587 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.086 -7.156 -9.031 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.364 -5.822 -10.043 1.00 0.00 H new ATOM 0 HG22 THR A 62 -1.754 -5.887 -9.286 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.369 -7.290 -10.193 1.00 0.00 H new ATOM 992 N LYS A 63 -2.470 -7.319 -5.175 1.00 0.00 N ATOM 993 CA LYS A 63 -2.025 -6.643 -3.912 1.00 0.00 C ATOM 994 C LYS A 63 -0.873 -7.432 -3.265 1.00 0.00 C ATOM 995 O LYS A 63 -0.062 -6.876 -2.545 1.00 0.00 O ATOM 996 CB LYS A 63 -3.216 -6.533 -2.940 1.00 0.00 C ATOM 997 CG LYS A 63 -3.239 -7.722 -1.970 1.00 0.00 C ATOM 998 CD LYS A 63 -4.544 -7.709 -1.170 1.00 0.00 C ATOM 999 CE LYS A 63 -4.604 -8.946 -0.268 1.00 0.00 C ATOM 1000 NZ LYS A 63 -3.730 -8.743 0.925 1.00 0.00 N ATOM 0 H LYS A 63 -3.346 -7.837 -5.102 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.665 -5.641 -4.147 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.148 -5.601 -2.379 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.149 -6.499 -3.503 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.149 -8.657 -2.523 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.386 -7.669 -1.294 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.604 -6.803 -0.567 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.398 -7.698 -1.847 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.631 -9.127 0.049 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.281 -9.827 -0.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.243 -9.633 1.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.026 -8.006 0.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.312 -8.448 1.735 1.00 0.00 H new ATOM 1014 N LYS A 64 -0.793 -8.719 -3.530 1.00 0.00 N ATOM 1015 CA LYS A 64 0.301 -9.557 -2.953 1.00 0.00 C ATOM 1016 C LYS A 64 1.582 -9.402 -3.789 1.00 0.00 C ATOM 1017 O LYS A 64 2.524 -10.153 -3.626 1.00 0.00 O ATOM 1018 CB LYS A 64 -0.132 -11.026 -2.943 1.00 0.00 C ATOM 1019 CG LYS A 64 -0.784 -11.351 -1.599 1.00 0.00 C ATOM 1020 CD LYS A 64 -2.194 -11.898 -1.829 1.00 0.00 C ATOM 1021 CE LYS A 64 -2.301 -13.315 -1.263 1.00 0.00 C ATOM 1022 NZ LYS A 64 -3.281 -14.100 -2.069 1.00 0.00 N ATOM 0 H LYS A 64 -1.447 -9.224 -4.127 1.00 0.00 H new ATOM 0 HA LYS A 64 0.502 -9.229 -1.933 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.833 -11.216 -3.756 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.730 -11.672 -3.108 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.183 -12.083 -1.060 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.827 -10.456 -0.979 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.928 -11.249 -1.350 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.422 -11.905 -2.895 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.325 -13.801 -1.283 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -2.617 -13.279 -0.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.354 -15.064 -1.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.212 -13.639 -2.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.961 -14.145 -3.057 1.00 0.00 H new ATOM 1036 N MET A 65 1.622 -8.431 -4.676 1.00 0.00 N ATOM 1037 CA MET A 65 2.828 -8.206 -5.527 1.00 0.00 C ATOM 1038 C MET A 65 4.087 -8.050 -4.655 1.00 0.00 C ATOM 1039 O MET A 65 5.193 -8.291 -5.103 1.00 0.00 O ATOM 1040 CB MET A 65 2.604 -6.937 -6.359 1.00 0.00 C ATOM 1041 CG MET A 65 2.779 -5.687 -5.484 1.00 0.00 C ATOM 1042 SD MET A 65 1.268 -4.690 -5.519 1.00 0.00 S ATOM 1043 CE MET A 65 1.195 -4.404 -7.306 1.00 0.00 C ATOM 0 H MET A 65 0.856 -7.778 -4.845 1.00 0.00 H new ATOM 0 HA MET A 65 2.978 -9.064 -6.182 1.00 0.00 H new ATOM 0 HB2 MET A 65 3.310 -6.909 -7.189 1.00 0.00 H new ATOM 0 HB3 MET A 65 1.603 -6.949 -6.791 1.00 0.00 H new ATOM 0 HG2 MET A 65 3.008 -5.980 -4.459 1.00 0.00 H new ATOM 0 HG3 MET A 65 3.622 -5.097 -5.843 1.00 0.00 H new ATOM 0 HE1 MET A 65 0.163 -4.493 -7.647 1.00 0.00 H new ATOM 0 HE2 MET A 65 1.567 -3.404 -7.530 1.00 0.00 H new ATOM 0 HE3 MET A 65 1.811 -5.143 -7.818 1.00 0.00 H new ATOM 1053 N LEU A 66 3.918 -7.647 -3.416 1.00 0.00 N ATOM 1054 CA LEU A 66 5.081 -7.464 -2.503 1.00 0.00 C ATOM 1055 C LEU A 66 4.926 -8.349 -1.257 1.00 0.00 C ATOM 1056 O LEU A 66 5.832 -8.437 -0.454 1.00 0.00 O ATOM 1057 CB LEU A 66 5.152 -5.992 -2.074 1.00 0.00 C ATOM 1058 CG LEU A 66 3.846 -5.590 -1.370 1.00 0.00 C ATOM 1059 CD1 LEU A 66 4.167 -4.830 -0.081 1.00 0.00 C ATOM 1060 CD2 LEU A 66 3.019 -4.694 -2.298 1.00 0.00 C ATOM 0 H LEU A 66 3.011 -7.436 -2.999 1.00 0.00 H new ATOM 0 HA LEU A 66 5.994 -7.748 -3.025 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.998 -5.840 -1.404 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.316 -5.358 -2.945 1.00 0.00 H new ATOM 0 HG LEU A 66 3.277 -6.488 -1.128 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.239 -4.547 0.415 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.752 -5.468 0.581 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.739 -3.933 -0.320 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.093 -4.409 -1.799 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.590 -3.798 -2.543 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.785 -5.236 -3.214 1.00 0.00 H new ATOM 1072 N GLU A 67 3.790 -9.002 -1.086 1.00 0.00 N ATOM 1073 CA GLU A 67 3.586 -9.870 0.120 1.00 0.00 C ATOM 1074 C GLU A 67 4.244 -11.251 -0.074 1.00 0.00 C ATOM 1075 O GLU A 67 3.892 -12.206 0.598 1.00 0.00 O ATOM 1076 CB GLU A 67 2.082 -10.043 0.369 1.00 0.00 C ATOM 1077 CG GLU A 67 1.456 -8.689 0.736 1.00 0.00 C ATOM 1078 CD GLU A 67 2.118 -8.129 2.003 1.00 0.00 C ATOM 1079 OE1 GLU A 67 1.751 -8.563 3.084 1.00 0.00 O ATOM 1080 OE2 GLU A 67 2.978 -7.272 1.871 1.00 0.00 O ATOM 0 H GLU A 67 3.000 -8.968 -1.731 1.00 0.00 H new ATOM 0 HA GLU A 67 4.053 -9.389 0.979 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.601 -10.447 -0.522 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.917 -10.760 1.173 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.579 -7.987 -0.089 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.384 -8.807 0.898 1.00 0.00 H new ATOM 1087 N ASN A 68 5.192 -11.368 -0.978 1.00 0.00 N ATOM 1088 CA ASN A 68 5.859 -12.693 -1.204 1.00 0.00 C ATOM 1089 C ASN A 68 7.275 -12.521 -1.791 1.00 0.00 C ATOM 1090 O ASN A 68 8.154 -13.325 -1.534 1.00 0.00 O ATOM 1091 CB ASN A 68 5.003 -13.524 -2.173 1.00 0.00 C ATOM 1092 CG ASN A 68 5.115 -12.960 -3.597 1.00 0.00 C ATOM 1093 OD1 ASN A 68 5.700 -13.582 -4.462 1.00 0.00 O ATOM 1094 ND2 ASN A 68 4.581 -11.800 -3.880 1.00 0.00 N ATOM 0 H ASN A 68 5.531 -10.607 -1.566 1.00 0.00 H new ATOM 0 HA ASN A 68 5.952 -13.200 -0.243 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.330 -14.564 -2.159 1.00 0.00 H new ATOM 0 HB3 ASN A 68 3.962 -13.513 -1.851 1.00 0.00 H new ATOM 0 HD21 ASN A 68 4.656 -11.421 -4.824 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.089 -11.275 -3.157 1.00 0.00 H new ATOM 1101 N ALA A 69 7.494 -11.504 -2.592 1.00 0.00 N ATOM 1102 CA ALA A 69 8.836 -11.293 -3.221 1.00 0.00 C ATOM 1103 C ALA A 69 9.804 -10.601 -2.258 1.00 0.00 C ATOM 1104 O ALA A 69 9.477 -10.301 -1.123 1.00 0.00 O ATOM 1105 CB ALA A 69 8.663 -10.432 -4.468 1.00 0.00 C ATOM 0 H ALA A 69 6.793 -10.805 -2.838 1.00 0.00 H new ATOM 0 HA ALA A 69 9.255 -12.266 -3.478 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.634 -10.271 -4.936 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.001 -10.938 -5.171 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.230 -9.471 -4.190 1.00 0.00 H new ATOM 1111 N LYS A 70 10.997 -10.343 -2.733 1.00 0.00 N ATOM 1112 CA LYS A 70 12.031 -9.659 -1.901 1.00 0.00 C ATOM 1113 C LYS A 70 12.481 -8.399 -2.639 1.00 0.00 C ATOM 1114 O LYS A 70 12.662 -7.349 -2.047 1.00 0.00 O ATOM 1115 CB LYS A 70 13.229 -10.592 -1.696 1.00 0.00 C ATOM 1116 CG LYS A 70 13.610 -10.618 -0.214 1.00 0.00 C ATOM 1117 CD LYS A 70 14.193 -11.989 0.143 1.00 0.00 C ATOM 1118 CE LYS A 70 15.441 -11.805 1.008 1.00 0.00 C ATOM 1119 NZ LYS A 70 16.325 -12.997 0.864 1.00 0.00 N ATOM 0 H LYS A 70 11.301 -10.582 -3.677 1.00 0.00 H new ATOM 0 HA LYS A 70 11.618 -9.398 -0.926 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.982 -11.598 -2.036 1.00 0.00 H new ATOM 0 HB3 LYS A 70 14.075 -10.252 -2.294 1.00 0.00 H new ATOM 0 HG2 LYS A 70 14.338 -9.835 -0.002 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.734 -10.413 0.401 1.00 0.00 H new ATOM 0 HD2 LYS A 70 13.452 -12.583 0.678 1.00 0.00 H new ATOM 0 HD3 LYS A 70 14.445 -12.536 -0.765 1.00 0.00 H new ATOM 0 HE2 LYS A 70 15.976 -10.904 0.707 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.157 -11.673 2.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 17.174 -12.873 1.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.813 -13.848 1.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 16.606 -13.103 -0.132 1.00 0.00 H new ATOM 1133 N LYS A 71 12.633 -8.499 -3.938 1.00 0.00 N ATOM 1134 CA LYS A 71 13.037 -7.320 -4.756 1.00 0.00 C ATOM 1135 C LYS A 71 11.773 -6.738 -5.378 1.00 0.00 C ATOM 1136 O LYS A 71 11.175 -7.343 -6.247 1.00 0.00 O ATOM 1137 CB LYS A 71 14.002 -7.760 -5.860 1.00 0.00 C ATOM 1138 CG LYS A 71 15.267 -6.900 -5.808 1.00 0.00 C ATOM 1139 CD LYS A 71 16.177 -7.250 -6.990 1.00 0.00 C ATOM 1140 CE LYS A 71 15.564 -6.727 -8.294 1.00 0.00 C ATOM 1141 NZ LYS A 71 15.527 -5.234 -8.273 1.00 0.00 N ATOM 0 H LYS A 71 12.492 -9.359 -4.469 1.00 0.00 H new ATOM 0 HA LYS A 71 13.539 -6.577 -4.136 1.00 0.00 H new ATOM 0 HB2 LYS A 71 14.259 -8.812 -5.734 1.00 0.00 H new ATOM 0 HB3 LYS A 71 13.524 -7.663 -6.835 1.00 0.00 H new ATOM 0 HG2 LYS A 71 15.002 -5.843 -5.841 1.00 0.00 H new ATOM 0 HG3 LYS A 71 15.794 -7.067 -4.869 1.00 0.00 H new ATOM 0 HD2 LYS A 71 17.165 -6.813 -6.842 1.00 0.00 H new ATOM 0 HD3 LYS A 71 16.312 -8.330 -7.049 1.00 0.00 H new ATOM 0 HE2 LYS A 71 16.149 -7.073 -9.146 1.00 0.00 H new ATOM 0 HE3 LYS A 71 14.556 -7.123 -8.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 15.389 -4.877 -9.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.742 -4.915 -7.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 16.425 -4.870 -7.894 1.00 0.00 H new ATOM 1155 N ILE A 72 11.347 -5.582 -4.932 1.00 0.00 N ATOM 1156 CA ILE A 72 10.105 -4.980 -5.487 1.00 0.00 C ATOM 1157 C ILE A 72 10.454 -3.737 -6.283 1.00 0.00 C ATOM 1158 O ILE A 72 10.888 -2.743 -5.746 1.00 0.00 O ATOM 1159 CB ILE A 72 9.157 -4.614 -4.351 1.00 0.00 C ATOM 1160 CG1 ILE A 72 8.638 -5.894 -3.681 1.00 0.00 C ATOM 1161 CG2 ILE A 72 7.979 -3.817 -4.906 1.00 0.00 C ATOM 1162 CD1 ILE A 72 9.104 -5.942 -2.227 1.00 0.00 C ATOM 0 H ILE A 72 11.809 -5.032 -4.207 1.00 0.00 H new ATOM 0 HA ILE A 72 9.617 -5.702 -6.141 1.00 0.00 H new ATOM 0 HB ILE A 72 9.690 -4.011 -3.616 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.549 -5.923 -3.725 1.00 0.00 H new ATOM 0 HG13 ILE A 72 9.002 -6.770 -4.218 1.00 0.00 H new ATOM 0 HG21 ILE A 72 7.301 -3.556 -4.093 1.00 0.00 H new ATOM 0 HG22 ILE A 72 8.346 -2.906 -5.379 1.00 0.00 H new ATOM 0 HG23 ILE A 72 7.447 -4.419 -5.642 1.00 0.00 H new ATOM 0 HD11 ILE A 72 8.733 -6.852 -1.756 1.00 0.00 H new ATOM 0 HD12 ILE A 72 10.193 -5.934 -2.194 1.00 0.00 H new ATOM 0 HD13 ILE A 72 8.718 -5.074 -1.693 1.00 0.00 H new ATOM 1174 N GLU A 73 10.255 -3.790 -7.560 1.00 0.00 N ATOM 1175 CA GLU A 73 10.568 -2.618 -8.410 1.00 0.00 C ATOM 1176 C GLU A 73 9.406 -1.623 -8.325 1.00 0.00 C ATOM 1177 O GLU A 73 8.516 -1.616 -9.158 1.00 0.00 O ATOM 1178 CB GLU A 73 10.787 -3.083 -9.856 1.00 0.00 C ATOM 1179 CG GLU A 73 12.108 -3.859 -9.947 1.00 0.00 C ATOM 1180 CD GLU A 73 11.894 -5.315 -9.508 1.00 0.00 C ATOM 1181 OE1 GLU A 73 11.293 -6.063 -10.264 1.00 0.00 O ATOM 1182 OE2 GLU A 73 12.338 -5.658 -8.423 1.00 0.00 O ATOM 0 H GLU A 73 9.886 -4.600 -8.058 1.00 0.00 H new ATOM 0 HA GLU A 73 11.479 -2.128 -8.065 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.958 -3.715 -10.176 1.00 0.00 H new ATOM 0 HB3 GLU A 73 10.810 -2.224 -10.526 1.00 0.00 H new ATOM 0 HG2 GLU A 73 12.486 -3.831 -10.969 1.00 0.00 H new ATOM 0 HG3 GLU A 73 12.861 -3.387 -9.315 1.00 0.00 H new ATOM 1189 N VAL A 74 9.419 -0.782 -7.314 1.00 0.00 N ATOM 1190 CA VAL A 74 8.329 0.233 -7.150 1.00 0.00 C ATOM 1191 C VAL A 74 8.406 1.184 -8.349 1.00 0.00 C ATOM 1192 O VAL A 74 9.249 2.062 -8.403 1.00 0.00 O ATOM 1193 CB VAL A 74 8.517 1.034 -5.844 1.00 0.00 C ATOM 1194 CG1 VAL A 74 7.171 1.533 -5.327 1.00 0.00 C ATOM 1195 CG2 VAL A 74 9.154 0.173 -4.754 1.00 0.00 C ATOM 0 H VAL A 74 10.141 -0.756 -6.594 1.00 0.00 H new ATOM 0 HA VAL A 74 7.360 -0.265 -7.101 1.00 0.00 H new ATOM 0 HB VAL A 74 9.171 1.875 -6.073 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.321 2.096 -4.406 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.710 2.178 -6.075 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.519 0.682 -5.130 1.00 0.00 H new ATOM 0 HG21 VAL A 74 9.274 0.765 -3.846 1.00 0.00 H new ATOM 0 HG22 VAL A 74 8.513 -0.684 -4.547 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.130 -0.177 -5.090 1.00 0.00 H new ATOM 1205 N GLU A 75 7.556 0.987 -9.324 1.00 0.00 N ATOM 1206 CA GLU A 75 7.592 1.843 -10.544 1.00 0.00 C ATOM 1207 C GLU A 75 6.901 3.188 -10.280 1.00 0.00 C ATOM 1208 O GLU A 75 5.695 3.321 -10.404 1.00 0.00 O ATOM 1209 CB GLU A 75 6.904 1.106 -11.701 1.00 0.00 C ATOM 1210 CG GLU A 75 7.881 0.973 -12.875 1.00 0.00 C ATOM 1211 CD GLU A 75 8.482 -0.440 -12.900 1.00 0.00 C ATOM 1212 OE1 GLU A 75 9.038 -0.850 -11.892 1.00 0.00 O ATOM 1213 OE2 GLU A 75 8.383 -1.086 -13.929 1.00 0.00 O ATOM 0 H GLU A 75 6.835 0.265 -9.326 1.00 0.00 H new ATOM 0 HA GLU A 75 8.630 2.043 -10.810 1.00 0.00 H new ATOM 0 HB2 GLU A 75 6.576 0.120 -11.374 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.014 1.651 -12.015 1.00 0.00 H new ATOM 0 HG2 GLU A 75 7.364 1.174 -13.813 1.00 0.00 H new ATOM 0 HG3 GLU A 75 8.676 1.714 -12.783 1.00 0.00 H new ATOM 1220 N PHE A 76 7.676 4.188 -9.932 1.00 0.00 N ATOM 1221 CA PHE A 76 7.115 5.547 -9.674 1.00 0.00 C ATOM 1222 C PHE A 76 8.234 6.586 -9.861 1.00 0.00 C ATOM 1223 O PHE A 76 9.352 6.388 -9.411 1.00 0.00 O ATOM 1224 CB PHE A 76 6.525 5.621 -8.254 1.00 0.00 C ATOM 1225 CG PHE A 76 7.617 5.656 -7.208 1.00 0.00 C ATOM 1226 CD1 PHE A 76 8.120 4.463 -6.678 1.00 0.00 C ATOM 1227 CD2 PHE A 76 8.126 6.886 -6.769 1.00 0.00 C ATOM 1228 CE1 PHE A 76 9.133 4.499 -5.714 1.00 0.00 C ATOM 1229 CE2 PHE A 76 9.141 6.920 -5.810 1.00 0.00 C ATOM 1230 CZ PHE A 76 9.644 5.727 -5.283 1.00 0.00 C ATOM 0 H PHE A 76 8.687 4.116 -9.815 1.00 0.00 H new ATOM 0 HA PHE A 76 6.309 5.756 -10.377 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.902 6.511 -8.162 1.00 0.00 H new ATOM 0 HB3 PHE A 76 5.879 4.760 -8.081 1.00 0.00 H new ATOM 0 HD1 PHE A 76 7.726 3.515 -7.013 1.00 0.00 H new ATOM 0 HD2 PHE A 76 7.733 7.808 -7.172 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.520 3.579 -5.303 1.00 0.00 H new ATOM 0 HE2 PHE A 76 9.537 7.868 -5.476 1.00 0.00 H new ATOM 0 HZ PHE A 76 10.429 5.754 -4.542 1.00 0.00 H new ATOM 1240 N ASP A 77 7.959 7.678 -10.542 1.00 0.00 N ATOM 1241 CA ASP A 77 9.027 8.704 -10.771 1.00 0.00 C ATOM 1242 C ASP A 77 8.422 10.093 -11.028 1.00 0.00 C ATOM 1243 O ASP A 77 8.833 11.063 -10.421 1.00 0.00 O ATOM 1244 CB ASP A 77 9.871 8.290 -11.984 1.00 0.00 C ATOM 1245 CG ASP A 77 11.213 9.028 -11.959 1.00 0.00 C ATOM 1246 OD1 ASP A 77 12.148 8.503 -11.377 1.00 0.00 O ATOM 1247 OD2 ASP A 77 11.285 10.107 -12.526 1.00 0.00 O ATOM 0 H ASP A 77 7.049 7.900 -10.945 1.00 0.00 H new ATOM 0 HA ASP A 77 9.646 8.760 -9.876 1.00 0.00 H new ATOM 0 HB2 ASP A 77 10.038 7.213 -11.972 1.00 0.00 H new ATOM 0 HB3 ASP A 77 9.337 8.520 -12.906 1.00 0.00 H new ATOM 1252 N LYS A 78 7.476 10.197 -11.941 1.00 0.00 N ATOM 1253 CA LYS A 78 6.856 11.527 -12.267 1.00 0.00 C ATOM 1254 C LYS A 78 6.332 12.219 -10.998 1.00 0.00 C ATOM 1255 O LYS A 78 5.214 11.985 -10.571 1.00 0.00 O ATOM 1256 CB LYS A 78 5.699 11.323 -13.252 1.00 0.00 C ATOM 1257 CG LYS A 78 5.275 12.675 -13.833 1.00 0.00 C ATOM 1258 CD LYS A 78 4.003 12.500 -14.665 1.00 0.00 C ATOM 1259 CE LYS A 78 3.095 13.718 -14.475 1.00 0.00 C ATOM 1260 NZ LYS A 78 2.346 13.588 -13.192 1.00 0.00 N ATOM 0 H LYS A 78 7.106 9.412 -12.476 1.00 0.00 H new ATOM 0 HA LYS A 78 7.620 12.162 -12.714 1.00 0.00 H new ATOM 0 HB2 LYS A 78 6.005 10.651 -14.054 1.00 0.00 H new ATOM 0 HB3 LYS A 78 4.856 10.853 -12.746 1.00 0.00 H new ATOM 0 HG2 LYS A 78 5.100 13.389 -13.028 1.00 0.00 H new ATOM 0 HG3 LYS A 78 6.074 13.083 -14.453 1.00 0.00 H new ATOM 0 HD2 LYS A 78 4.258 12.384 -15.718 1.00 0.00 H new ATOM 0 HD3 LYS A 78 3.480 11.593 -14.362 1.00 0.00 H new ATOM 0 HE2 LYS A 78 3.691 14.631 -14.469 1.00 0.00 H new ATOM 0 HE3 LYS A 78 2.397 13.798 -15.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 1.730 14.416 -13.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.766 12.725 -13.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 3.019 13.532 -12.401 1.00 0.00 H new ATOM 1274 N GLY A 79 7.141 13.082 -10.410 1.00 0.00 N ATOM 1275 CA GLY A 79 6.738 13.832 -9.172 1.00 0.00 C ATOM 1276 C GLY A 79 5.892 12.951 -8.247 1.00 0.00 C ATOM 1277 O GLY A 79 4.820 13.344 -7.824 1.00 0.00 O ATOM 0 H GLY A 79 8.080 13.299 -10.745 1.00 0.00 H new ATOM 0 HA2 GLY A 79 7.628 14.172 -8.642 1.00 0.00 H new ATOM 0 HA3 GLY A 79 6.173 14.722 -9.449 1.00 0.00 H new ATOM 1281 N GLN A 80 6.360 11.763 -7.935 1.00 0.00 N ATOM 1282 CA GLN A 80 5.585 10.856 -7.042 1.00 0.00 C ATOM 1283 C GLN A 80 5.829 11.226 -5.572 1.00 0.00 C ATOM 1284 O GLN A 80 6.090 10.373 -4.740 1.00 0.00 O ATOM 1285 CB GLN A 80 5.997 9.399 -7.293 1.00 0.00 C ATOM 1286 CG GLN A 80 4.751 8.508 -7.413 1.00 0.00 C ATOM 1287 CD GLN A 80 3.627 9.027 -6.505 1.00 0.00 C ATOM 1288 OE1 GLN A 80 2.648 9.563 -6.982 1.00 0.00 O ATOM 1289 NE2 GLN A 80 3.726 8.886 -5.211 1.00 0.00 N ATOM 0 H GLN A 80 7.249 11.387 -8.264 1.00 0.00 H new ATOM 0 HA GLN A 80 4.523 10.968 -7.260 1.00 0.00 H new ATOM 0 HB2 GLN A 80 6.589 9.333 -8.206 1.00 0.00 H new ATOM 0 HB3 GLN A 80 6.628 9.046 -6.477 1.00 0.00 H new ATOM 0 HG2 GLN A 80 4.410 8.488 -8.448 1.00 0.00 H new ATOM 0 HG3 GLN A 80 5.002 7.483 -7.140 1.00 0.00 H new ATOM 0 HE21 GLN A 80 4.548 8.436 -4.808 1.00 0.00 H new ATOM 0 HE22 GLN A 80 2.981 9.226 -4.602 1.00 0.00 H new ATOM 1298 N ARG A 81 5.721 12.488 -5.240 1.00 0.00 N ATOM 1299 CA ARG A 81 5.919 12.911 -3.826 1.00 0.00 C ATOM 1300 C ARG A 81 4.551 12.967 -3.128 1.00 0.00 C ATOM 1301 O ARG A 81 4.410 13.545 -2.064 1.00 0.00 O ATOM 1302 CB ARG A 81 6.593 14.285 -3.794 1.00 0.00 C ATOM 1303 CG ARG A 81 7.325 14.472 -2.461 1.00 0.00 C ATOM 1304 CD ARG A 81 8.479 13.468 -2.359 1.00 0.00 C ATOM 1305 NE ARG A 81 9.736 14.181 -1.992 1.00 0.00 N ATOM 1306 CZ ARG A 81 10.761 13.506 -1.544 1.00 0.00 C ATOM 1307 NH1 ARG A 81 10.854 13.234 -0.269 1.00 0.00 N ATOM 1308 NH2 ARG A 81 11.693 13.105 -2.369 1.00 0.00 N ATOM 0 H ARG A 81 5.504 13.243 -5.891 1.00 0.00 H new ATOM 0 HA ARG A 81 6.558 12.198 -3.306 1.00 0.00 H new ATOM 0 HB2 ARG A 81 7.297 14.375 -4.622 1.00 0.00 H new ATOM 0 HB3 ARG A 81 5.847 15.069 -3.923 1.00 0.00 H new ATOM 0 HG2 ARG A 81 7.708 15.490 -2.385 1.00 0.00 H new ATOM 0 HG3 ARG A 81 6.632 14.330 -1.632 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.248 12.709 -1.611 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.608 12.950 -3.309 1.00 0.00 H new ATOM 0 HE ARG A 81 9.796 15.194 -2.091 1.00 0.00 H new ATOM 0 HH11 ARG A 81 10.127 13.549 0.374 1.00 0.00 H new ATOM 0 HH12 ARG A 81 11.653 12.707 0.083 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.620 13.319 -3.364 1.00 0.00 H new ATOM 0 HH22 ARG A 81 12.493 12.578 -2.018 1.00 0.00 H new ATOM 1322 N THR A 82 3.544 12.349 -3.716 1.00 0.00 N ATOM 1323 CA THR A 82 2.192 12.339 -3.095 1.00 0.00 C ATOM 1324 C THR A 82 2.171 11.281 -2.007 1.00 0.00 C ATOM 1325 O THR A 82 2.351 10.106 -2.263 1.00 0.00 O ATOM 1326 CB THR A 82 1.108 11.986 -4.121 1.00 0.00 C ATOM 1327 OG1 THR A 82 1.697 11.606 -5.360 1.00 0.00 O ATOM 1328 CG2 THR A 82 0.191 13.191 -4.338 1.00 0.00 C ATOM 0 H THR A 82 3.612 11.852 -4.604 1.00 0.00 H new ATOM 0 HA THR A 82 1.989 13.333 -2.696 1.00 0.00 H new ATOM 0 HB THR A 82 0.526 11.148 -3.738 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.791 10.631 -5.392 1.00 0.00 H new ATOM 0 HG21 THR A 82 -0.578 12.936 -5.068 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.281 13.464 -3.394 1.00 0.00 H new ATOM 0 HG23 THR A 82 0.777 14.032 -4.707 1.00 0.00 H new ATOM 1336 N ASP A 83 1.953 11.692 -0.801 1.00 0.00 N ATOM 1337 CA ASP A 83 1.913 10.723 0.327 1.00 0.00 C ATOM 1338 C ASP A 83 1.222 11.381 1.529 1.00 0.00 C ATOM 1339 O ASP A 83 1.698 11.350 2.650 1.00 0.00 O ATOM 1340 CB ASP A 83 3.345 10.281 0.651 1.00 0.00 C ATOM 1341 CG ASP A 83 4.139 11.420 1.312 1.00 0.00 C ATOM 1342 OD1 ASP A 83 4.386 12.413 0.645 1.00 0.00 O ATOM 1343 OD2 ASP A 83 4.495 11.273 2.469 1.00 0.00 O ATOM 0 H ASP A 83 1.799 12.666 -0.539 1.00 0.00 H new ATOM 0 HA ASP A 83 1.340 9.834 0.062 1.00 0.00 H new ATOM 0 HB2 ASP A 83 3.321 9.417 1.315 1.00 0.00 H new ATOM 0 HB3 ASP A 83 3.848 9.966 -0.264 1.00 0.00 H new ATOM 1348 N LYS A 84 0.077 11.965 1.279 1.00 0.00 N ATOM 1349 CA LYS A 84 -0.706 12.636 2.363 1.00 0.00 C ATOM 1350 C LYS A 84 -2.176 12.590 1.953 1.00 0.00 C ATOM 1351 O LYS A 84 -2.797 13.601 1.671 1.00 0.00 O ATOM 1352 CB LYS A 84 -0.231 14.087 2.518 1.00 0.00 C ATOM 1353 CG LYS A 84 -0.744 14.660 3.842 1.00 0.00 C ATOM 1354 CD LYS A 84 -0.646 16.187 3.810 1.00 0.00 C ATOM 1355 CE LYS A 84 -0.048 16.690 5.126 1.00 0.00 C ATOM 1356 NZ LYS A 84 0.322 18.128 4.989 1.00 0.00 N ATOM 0 H LYS A 84 -0.355 12.006 0.356 1.00 0.00 H new ATOM 0 HA LYS A 84 -0.567 12.135 3.321 1.00 0.00 H new ATOM 0 HB2 LYS A 84 0.858 14.128 2.491 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.594 14.689 1.685 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.777 14.355 4.006 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.159 14.265 4.672 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.025 16.504 2.972 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -1.634 16.622 3.658 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.767 16.564 5.936 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.831 16.101 5.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 0.728 18.469 5.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.022 18.235 4.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.526 18.684 4.760 1.00 0.00 H new ATOM 1370 N TYR A 85 -2.696 11.389 1.849 1.00 0.00 N ATOM 1371 CA TYR A 85 -4.096 11.157 1.384 1.00 0.00 C ATOM 1372 C TYR A 85 -4.059 11.052 -0.142 1.00 0.00 C ATOM 1373 O TYR A 85 -4.783 10.268 -0.732 1.00 0.00 O ATOM 1374 CB TYR A 85 -5.057 12.264 1.828 1.00 0.00 C ATOM 1375 CG TYR A 85 -6.408 11.631 2.044 1.00 0.00 C ATOM 1376 CD1 TYR A 85 -6.717 11.049 3.279 1.00 0.00 C ATOM 1377 CD2 TYR A 85 -7.337 11.594 0.999 1.00 0.00 C ATOM 1378 CE1 TYR A 85 -7.957 10.432 3.470 1.00 0.00 C ATOM 1379 CE2 TYR A 85 -8.578 10.979 1.190 1.00 0.00 C ATOM 1380 CZ TYR A 85 -8.889 10.397 2.426 1.00 0.00 C ATOM 1381 OH TYR A 85 -10.114 9.788 2.614 1.00 0.00 O ATOM 0 H TYR A 85 -2.188 10.534 2.076 1.00 0.00 H new ATOM 0 HA TYR A 85 -4.475 10.239 1.833 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -4.703 12.734 2.745 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -5.117 13.046 1.071 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -5.998 11.077 4.084 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -7.096 12.040 0.045 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -8.196 9.983 4.423 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -9.297 10.953 0.385 1.00 0.00 H new ATOM 0 HH TYR A 85 -10.642 9.853 1.791 1.00 0.00 H new ATOM 1391 N GLY A 86 -3.167 11.790 -0.778 1.00 0.00 N ATOM 1392 CA GLY A 86 -3.011 11.687 -2.255 1.00 0.00 C ATOM 1393 C GLY A 86 -2.500 10.275 -2.569 1.00 0.00 C ATOM 1394 O GLY A 86 -2.621 9.801 -3.680 1.00 0.00 O ATOM 0 H GLY A 86 -2.543 12.459 -0.326 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -3.962 11.870 -2.754 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.310 12.438 -2.620 1.00 0.00 H new ATOM 1398 N ARG A 87 -1.940 9.604 -1.566 1.00 0.00 N ATOM 1399 CA ARG A 87 -1.422 8.212 -1.731 1.00 0.00 C ATOM 1400 C ARG A 87 -0.108 8.221 -2.512 1.00 0.00 C ATOM 1401 O ARG A 87 0.097 9.032 -3.399 1.00 0.00 O ATOM 1402 CB ARG A 87 -2.467 7.350 -2.462 1.00 0.00 C ATOM 1403 CG ARG A 87 -3.079 6.315 -1.506 1.00 0.00 C ATOM 1404 CD ARG A 87 -3.349 6.946 -0.139 1.00 0.00 C ATOM 1405 NE ARG A 87 -2.311 6.476 0.814 1.00 0.00 N ATOM 1406 CZ ARG A 87 -2.112 7.116 1.936 1.00 0.00 C ATOM 1407 NH1 ARG A 87 -1.383 8.203 1.946 1.00 0.00 N ATOM 1408 NH2 ARG A 87 -2.635 6.669 3.047 1.00 0.00 N ATOM 0 H ARG A 87 -1.825 9.984 -0.626 1.00 0.00 H new ATOM 0 HA ARG A 87 -1.235 7.787 -0.745 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -3.253 7.988 -2.868 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -2.001 6.842 -3.306 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -4.008 5.928 -1.925 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -2.402 5.468 -1.395 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -3.329 8.033 -0.214 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -4.342 6.669 0.216 1.00 0.00 H new ATOM 0 HE ARG A 87 -1.752 5.652 0.592 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -0.971 8.549 1.079 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -1.226 8.704 2.821 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -3.199 5.819 3.039 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -2.479 7.170 3.922 1.00 0.00 H new ATOM 1422 N VAL A 88 0.777 7.306 -2.194 1.00 0.00 N ATOM 1423 CA VAL A 88 2.081 7.220 -2.919 1.00 0.00 C ATOM 1424 C VAL A 88 1.810 6.510 -4.248 1.00 0.00 C ATOM 1425 O VAL A 88 2.185 5.375 -4.453 1.00 0.00 O ATOM 1426 CB VAL A 88 3.091 6.429 -2.075 1.00 0.00 C ATOM 1427 CG1 VAL A 88 4.468 6.456 -2.747 1.00 0.00 C ATOM 1428 CG2 VAL A 88 3.197 7.058 -0.683 1.00 0.00 C ATOM 0 H VAL A 88 0.649 6.611 -1.458 1.00 0.00 H new ATOM 0 HA VAL A 88 2.502 8.209 -3.098 1.00 0.00 H new ATOM 0 HB VAL A 88 2.752 5.397 -1.989 1.00 0.00 H new ATOM 0 HG11 VAL A 88 5.179 5.893 -2.142 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.398 6.007 -3.738 1.00 0.00 H new ATOM 0 HG13 VAL A 88 4.808 7.488 -2.840 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.914 6.497 -0.084 1.00 0.00 H new ATOM 0 HG22 VAL A 88 3.531 8.091 -0.775 1.00 0.00 H new ATOM 0 HG23 VAL A 88 2.221 7.034 -0.198 1.00 0.00 H new ATOM 1438 N LEU A 89 1.117 7.194 -5.127 1.00 0.00 N ATOM 1439 CA LEU A 89 0.730 6.623 -6.461 1.00 0.00 C ATOM 1440 C LEU A 89 1.956 6.026 -7.156 1.00 0.00 C ATOM 1441 O LEU A 89 2.658 6.686 -7.899 1.00 0.00 O ATOM 1442 CB LEU A 89 0.096 7.727 -7.331 1.00 0.00 C ATOM 1443 CG LEU A 89 -0.763 8.656 -6.454 1.00 0.00 C ATOM 1444 CD1 LEU A 89 -1.632 9.548 -7.333 1.00 0.00 C ATOM 1445 CD2 LEU A 89 -1.660 7.819 -5.533 1.00 0.00 C ATOM 0 H LEU A 89 0.794 8.149 -4.973 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.000 5.827 -6.314 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.876 8.302 -7.830 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -0.518 7.279 -8.112 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.103 9.279 -5.850 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -2.236 10.202 -6.704 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.996 10.153 -7.979 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.287 8.928 -7.946 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.266 8.482 -4.915 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.313 7.188 -6.136 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.040 7.192 -4.893 1.00 0.00 H new ATOM 1457 N ALA A 90 2.213 4.769 -6.895 1.00 0.00 N ATOM 1458 CA ALA A 90 3.390 4.088 -7.495 1.00 0.00 C ATOM 1459 C ALA A 90 3.044 2.630 -7.789 1.00 0.00 C ATOM 1460 O ALA A 90 2.385 1.967 -7.004 1.00 0.00 O ATOM 1461 CB ALA A 90 4.549 4.131 -6.499 1.00 0.00 C ATOM 0 H ALA A 90 1.647 4.182 -6.283 1.00 0.00 H new ATOM 0 HA ALA A 90 3.669 4.591 -8.421 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.418 3.634 -6.930 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.798 5.168 -6.276 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.258 3.622 -5.580 1.00 0.00 H new ATOM 1467 N TYR A 91 3.499 2.121 -8.901 1.00 0.00 N ATOM 1468 CA TYR A 91 3.222 0.698 -9.244 1.00 0.00 C ATOM 1469 C TYR A 91 4.197 -0.184 -8.461 1.00 0.00 C ATOM 1470 O TYR A 91 5.249 0.269 -8.047 1.00 0.00 O ATOM 1471 CB TYR A 91 3.387 0.493 -10.745 1.00 0.00 C ATOM 1472 CG TYR A 91 2.201 1.106 -11.451 1.00 0.00 C ATOM 1473 CD1 TYR A 91 2.206 2.470 -11.770 1.00 0.00 C ATOM 1474 CD2 TYR A 91 1.092 0.316 -11.772 1.00 0.00 C ATOM 1475 CE1 TYR A 91 1.102 3.042 -12.410 1.00 0.00 C ATOM 1476 CE2 TYR A 91 -0.012 0.888 -12.413 1.00 0.00 C ATOM 1477 CZ TYR A 91 -0.009 2.251 -12.731 1.00 0.00 C ATOM 1478 OH TYR A 91 -1.100 2.815 -13.361 1.00 0.00 O ATOM 0 H TYR A 91 4.053 2.632 -9.589 1.00 0.00 H new ATOM 0 HA TYR A 91 2.200 0.430 -8.977 1.00 0.00 H new ATOM 0 HB2 TYR A 91 4.312 0.955 -11.090 1.00 0.00 H new ATOM 0 HB3 TYR A 91 3.456 -0.570 -10.976 1.00 0.00 H new ATOM 0 HD1 TYR A 91 3.062 3.080 -11.522 1.00 0.00 H new ATOM 0 HD2 TYR A 91 1.088 -0.735 -11.525 1.00 0.00 H new ATOM 0 HE1 TYR A 91 1.106 4.093 -12.657 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -0.867 0.277 -12.663 1.00 0.00 H new ATOM 0 HH TYR A 91 -1.782 2.128 -13.512 1.00 0.00 H new ATOM 1488 N ILE A 92 3.845 -1.420 -8.212 1.00 0.00 N ATOM 1489 CA ILE A 92 4.745 -2.295 -7.401 1.00 0.00 C ATOM 1490 C ILE A 92 4.872 -3.697 -8.028 1.00 0.00 C ATOM 1491 O ILE A 92 4.001 -4.531 -7.865 1.00 0.00 O ATOM 1492 CB ILE A 92 4.143 -2.442 -5.988 1.00 0.00 C ATOM 1493 CG1 ILE A 92 3.532 -1.110 -5.514 1.00 0.00 C ATOM 1494 CG2 ILE A 92 5.225 -2.885 -5.006 1.00 0.00 C ATOM 1495 CD1 ILE A 92 4.638 -0.096 -5.213 1.00 0.00 C ATOM 0 H ILE A 92 2.981 -1.858 -8.532 1.00 0.00 H new ATOM 0 HA ILE A 92 5.734 -1.839 -7.364 1.00 0.00 H new ATOM 0 HB ILE A 92 3.355 -3.194 -6.027 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.865 -0.715 -6.280 1.00 0.00 H new ATOM 0 HG13 ILE A 92 2.929 -1.276 -4.622 1.00 0.00 H new ATOM 0 HG21 ILE A 92 4.793 -2.987 -4.010 1.00 0.00 H new ATOM 0 HG22 ILE A 92 5.634 -3.844 -5.324 1.00 0.00 H new ATOM 0 HG23 ILE A 92 6.021 -2.141 -4.982 1.00 0.00 H new ATOM 0 HD11 ILE A 92 4.192 0.841 -4.879 1.00 0.00 H new ATOM 0 HD12 ILE A 92 5.288 -0.488 -4.430 1.00 0.00 H new ATOM 0 HD13 ILE A 92 5.223 0.082 -6.115 1.00 0.00 H new ATOM 1507 N TYR A 93 5.961 -3.984 -8.706 1.00 0.00 N ATOM 1508 CA TYR A 93 6.140 -5.365 -9.281 1.00 0.00 C ATOM 1509 C TYR A 93 7.456 -5.943 -8.765 1.00 0.00 C ATOM 1510 O TYR A 93 8.526 -5.460 -9.093 1.00 0.00 O ATOM 1511 CB TYR A 93 6.181 -5.381 -10.817 1.00 0.00 C ATOM 1512 CG TYR A 93 5.477 -4.196 -11.412 1.00 0.00 C ATOM 1513 CD1 TYR A 93 4.137 -3.938 -11.116 1.00 0.00 C ATOM 1514 CD2 TYR A 93 6.178 -3.364 -12.280 1.00 0.00 C ATOM 1515 CE1 TYR A 93 3.500 -2.839 -11.697 1.00 0.00 C ATOM 1516 CE2 TYR A 93 5.549 -2.266 -12.859 1.00 0.00 C ATOM 1517 CZ TYR A 93 4.207 -1.999 -12.572 1.00 0.00 C ATOM 1518 OH TYR A 93 3.577 -0.920 -13.158 1.00 0.00 O ATOM 0 H TYR A 93 6.726 -3.334 -8.886 1.00 0.00 H new ATOM 0 HA TYR A 93 5.279 -5.955 -8.968 1.00 0.00 H new ATOM 0 HB2 TYR A 93 7.218 -5.392 -11.152 1.00 0.00 H new ATOM 0 HB3 TYR A 93 5.719 -6.298 -11.182 1.00 0.00 H new ATOM 0 HD1 TYR A 93 3.596 -4.585 -10.441 1.00 0.00 H new ATOM 0 HD2 TYR A 93 7.214 -3.571 -12.505 1.00 0.00 H new ATOM 0 HE1 TYR A 93 2.463 -2.635 -11.473 1.00 0.00 H new ATOM 0 HE2 TYR A 93 6.097 -1.621 -13.529 1.00 0.00 H new ATOM 0 HH TYR A 93 2.728 -0.749 -12.700 1.00 0.00 H new ATOM 1528 N ALA A 94 7.386 -6.974 -7.963 1.00 0.00 N ATOM 1529 CA ALA A 94 8.609 -7.592 -7.424 1.00 0.00 C ATOM 1530 C ALA A 94 9.039 -8.742 -8.332 1.00 0.00 C ATOM 1531 O ALA A 94 8.230 -9.533 -8.786 1.00 0.00 O ATOM 1532 CB ALA A 94 8.334 -8.106 -6.016 1.00 0.00 C ATOM 0 H ALA A 94 6.516 -7.412 -7.661 1.00 0.00 H new ATOM 0 HA ALA A 94 9.411 -6.855 -7.384 1.00 0.00 H new ATOM 0 HB1 ALA A 94 9.237 -8.564 -5.613 1.00 0.00 H new ATOM 0 HB2 ALA A 94 8.033 -7.275 -5.378 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.535 -8.846 -6.049 1.00 0.00 H new ATOM 1538 N ASP A 95 10.313 -8.814 -8.598 1.00 0.00 N ATOM 1539 CA ASP A 95 10.873 -9.883 -9.495 1.00 0.00 C ATOM 1540 C ASP A 95 10.115 -9.895 -10.841 1.00 0.00 C ATOM 1541 O ASP A 95 10.038 -10.910 -11.513 1.00 0.00 O ATOM 1542 CB ASP A 95 10.747 -11.249 -8.805 1.00 0.00 C ATOM 1543 CG ASP A 95 11.591 -11.264 -7.524 1.00 0.00 C ATOM 1544 OD1 ASP A 95 12.756 -11.621 -7.608 1.00 0.00 O ATOM 1545 OD2 ASP A 95 11.058 -10.919 -6.481 1.00 0.00 O ATOM 0 H ASP A 95 11.009 -8.167 -8.228 1.00 0.00 H new ATOM 0 HA ASP A 95 11.925 -9.675 -9.689 1.00 0.00 H new ATOM 0 HB2 ASP A 95 9.703 -11.451 -8.566 1.00 0.00 H new ATOM 0 HB3 ASP A 95 11.078 -12.039 -9.479 1.00 0.00 H new ATOM 1550 N GLY A 96 9.542 -8.769 -11.225 1.00 0.00 N ATOM 1551 CA GLY A 96 8.767 -8.687 -12.503 1.00 0.00 C ATOM 1552 C GLY A 96 7.277 -8.673 -12.155 1.00 0.00 C ATOM 1553 O GLY A 96 6.521 -7.857 -12.644 1.00 0.00 O ATOM 0 H GLY A 96 9.583 -7.897 -10.697 1.00 0.00 H new ATOM 0 HA2 GLY A 96 9.037 -7.787 -13.055 1.00 0.00 H new ATOM 0 HA3 GLY A 96 9.000 -9.537 -13.145 1.00 0.00 H new ATOM 1557 N LYS A 97 6.877 -9.581 -11.297 1.00 0.00 N ATOM 1558 CA LYS A 97 5.461 -9.690 -10.848 1.00 0.00 C ATOM 1559 C LYS A 97 4.530 -9.868 -12.046 1.00 0.00 C ATOM 1560 O LYS A 97 4.279 -10.986 -12.454 1.00 0.00 O ATOM 1561 CB LYS A 97 5.062 -8.458 -10.025 1.00 0.00 C ATOM 1562 CG LYS A 97 4.788 -8.877 -8.576 1.00 0.00 C ATOM 1563 CD LYS A 97 3.559 -9.792 -8.519 1.00 0.00 C ATOM 1564 CE LYS A 97 2.292 -8.977 -8.797 1.00 0.00 C ATOM 1565 NZ LYS A 97 1.152 -9.518 -8.002 1.00 0.00 N ATOM 0 H LYS A 97 7.499 -10.272 -10.878 1.00 0.00 H new ATOM 0 HA LYS A 97 5.367 -10.570 -10.212 1.00 0.00 H new ATOM 0 HB2 LYS A 97 5.858 -7.714 -10.055 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.175 -7.993 -10.454 1.00 0.00 H new ATOM 0 HG2 LYS A 97 5.656 -9.394 -8.168 1.00 0.00 H new ATOM 0 HG3 LYS A 97 4.624 -7.994 -7.958 1.00 0.00 H new ATOM 0 HD2 LYS A 97 3.656 -10.592 -9.253 1.00 0.00 H new ATOM 0 HD3 LYS A 97 3.491 -10.264 -7.539 1.00 0.00 H new ATOM 0 HE2 LYS A 97 2.460 -7.931 -8.542 1.00 0.00 H new ATOM 0 HE3 LYS A 97 2.053 -9.012 -9.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 0.480 -9.993 -8.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 1.509 -10.201 -7.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 0.671 -8.738 -7.510 1.00 0.00 H new ATOM 1579 N MET A 98 4.002 -8.791 -12.601 1.00 0.00 N ATOM 1580 CA MET A 98 3.061 -8.928 -13.756 1.00 0.00 C ATOM 1581 C MET A 98 2.403 -7.577 -14.090 1.00 0.00 C ATOM 1582 O MET A 98 2.199 -7.250 -15.243 1.00 0.00 O ATOM 1583 CB MET A 98 1.957 -9.901 -13.347 1.00 0.00 C ATOM 1584 CG MET A 98 1.152 -9.270 -12.205 1.00 0.00 C ATOM 1585 SD MET A 98 -0.053 -10.459 -11.569 1.00 0.00 S ATOM 1586 CE MET A 98 -1.447 -9.314 -11.424 1.00 0.00 C ATOM 0 H MET A 98 4.185 -7.833 -12.302 1.00 0.00 H new ATOM 0 HA MET A 98 3.613 -9.280 -14.627 1.00 0.00 H new ATOM 0 HB2 MET A 98 1.307 -10.115 -14.195 1.00 0.00 H new ATOM 0 HB3 MET A 98 2.388 -10.850 -13.028 1.00 0.00 H new ATOM 0 HG2 MET A 98 1.823 -8.957 -11.405 1.00 0.00 H new ATOM 0 HG3 MET A 98 0.640 -8.376 -12.560 1.00 0.00 H new ATOM 0 HE1 MET A 98 -1.921 -9.439 -10.451 1.00 0.00 H new ATOM 0 HE2 MET A 98 -1.088 -8.290 -11.524 1.00 0.00 H new ATOM 0 HE3 MET A 98 -2.172 -9.522 -12.210 1.00 0.00 H new ATOM 1596 N VAL A 99 2.037 -6.819 -13.075 1.00 0.00 N ATOM 1597 CA VAL A 99 1.348 -5.508 -13.290 1.00 0.00 C ATOM 1598 C VAL A 99 2.188 -4.599 -14.204 1.00 0.00 C ATOM 1599 O VAL A 99 1.663 -3.710 -14.848 1.00 0.00 O ATOM 1600 CB VAL A 99 1.110 -4.843 -11.929 1.00 0.00 C ATOM 1601 CG1 VAL A 99 0.378 -3.521 -12.127 1.00 0.00 C ATOM 1602 CG2 VAL A 99 0.256 -5.765 -11.050 1.00 0.00 C ATOM 0 H VAL A 99 2.191 -7.061 -12.096 1.00 0.00 H new ATOM 0 HA VAL A 99 0.390 -5.675 -13.782 1.00 0.00 H new ATOM 0 HB VAL A 99 2.070 -4.661 -11.445 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.210 -3.050 -11.159 1.00 0.00 H new ATOM 0 HG12 VAL A 99 0.980 -2.862 -12.752 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -0.580 -3.705 -12.612 1.00 0.00 H new ATOM 0 HG21 VAL A 99 0.087 -5.292 -10.083 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.702 -5.947 -11.537 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.775 -6.712 -10.905 1.00 0.00 H new