USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 741 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 68 TYR OH : rot 78:sc= 0.118 USER MOD Set 1.2: A 104 TYR OH : rot -173:sc= 1.67 USER MOD Set 2.1: A 65 MET CE :methyl 179:sc= 0 (180deg=0) USER MOD Set 2.2: A 67 HIS : no HD1:sc= -0.403 K(o=-0.4,f=-0.92) USER MOD Set 3.1: A 9 SER OG : rot -115:sc= 0.0871 USER MOD Set 3.2: A 42 SER OG : rot 44:sc= 0.12 USER MOD Set 4.1: A 33 GLN : amide:sc= -0.109 X(o=-4,f=-4.1) USER MOD Set 4.2: A 36 ASN : amide:sc= -3.94 X(o=-4,f=-4.1!) USER MOD Set 5.1: A 12 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.137) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= -0.0802 X(o=-0.08,f=-0.11) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.0459 K(o=-0.046,f=-1.2) USER MOD Single : A 32 ASN : amide:sc= -0.931 K(o=-0.93,f=-0.2) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -130:sc= 0.00496 USER MOD Single : A 53 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0902) USER MOD Single : A 69 GLN : amide:sc= -0.53 X(o=-0.53,f=-0.12) USER MOD Single : A 73 GLN : amide:sc= -0.0967 K(o=-0.097,f=-3.4!) USER MOD Single : A 75 GLN : amide:sc= -0.0611 X(o=-0.061,f=-0.37) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 167:sc=-0.00102 (180deg=-0.0307) USER MOD Single : A 83 LYS NZ :NH3+ 168:sc= 0.542 (180deg=0.348) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.197 X(o=-0.2,f=-0.67) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 ASN : amide:sc=-0.00438 X(o=-0.0044,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 170:sc=-0.00686 (180deg=-0.118) USER MOD ----------------------------------------------------------------- ATOM 87 N SER A 9 7.006 8.195 5.654 1.00 0.00 N ATOM 88 CA SER A 9 7.262 7.075 4.756 1.00 0.00 C ATOM 89 C SER A 9 7.548 5.801 5.544 1.00 0.00 C ATOM 90 O SER A 9 8.302 5.816 6.517 1.00 0.00 O ATOM 91 CB SER A 9 8.440 7.393 3.833 1.00 0.00 C ATOM 92 OG SER A 9 8.192 6.939 2.514 1.00 0.00 O ATOM 0 HA SER A 9 6.369 6.915 4.152 1.00 0.00 H new ATOM 0 HB2 SER A 9 8.618 8.468 3.823 1.00 0.00 H new ATOM 0 HB3 SER A 9 9.345 6.923 4.218 1.00 0.00 H new ATOM 0 HG SER A 9 8.835 6.236 2.284 1.00 0.00 H new ATOM 98 N LEU A 10 6.939 4.699 5.118 1.00 0.00 N ATOM 99 CA LEU A 10 7.128 3.415 5.784 1.00 0.00 C ATOM 100 C LEU A 10 8.202 2.591 5.081 1.00 0.00 C ATOM 101 O LEU A 10 8.431 2.745 3.881 1.00 0.00 O ATOM 102 CB LEU A 10 5.811 2.637 5.819 1.00 0.00 C ATOM 103 CG LEU A 10 4.844 3.051 6.933 1.00 0.00 C ATOM 104 CD1 LEU A 10 3.505 3.475 6.351 1.00 0.00 C ATOM 105 CD2 LEU A 10 4.659 1.917 7.931 1.00 0.00 C ATOM 0 H LEU A 10 6.311 4.669 4.315 1.00 0.00 H new ATOM 0 HA LEU A 10 7.455 3.607 6.806 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.309 2.758 4.859 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.036 1.576 5.929 1.00 0.00 H new ATOM 0 HG LEU A 10 5.274 3.904 7.459 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.833 3.765 7.158 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.652 4.321 5.679 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.069 2.643 5.797 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.969 2.231 8.714 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.254 1.044 7.419 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.621 1.663 8.376 1.00 0.00 H new ATOM 117 N LYS A 11 8.857 1.715 5.836 1.00 0.00 N ATOM 118 CA LYS A 11 9.907 0.866 5.284 1.00 0.00 C ATOM 119 C LYS A 11 9.992 -0.456 6.040 1.00 0.00 C ATOM 120 O LYS A 11 10.506 -0.511 7.158 1.00 0.00 O ATOM 121 CB LYS A 11 11.256 1.587 5.338 1.00 0.00 C ATOM 122 CG LYS A 11 12.094 1.404 4.083 1.00 0.00 C ATOM 123 CD LYS A 11 11.871 2.537 3.094 1.00 0.00 C ATOM 124 CE LYS A 11 13.053 2.697 2.152 1.00 0.00 C ATOM 125 NZ LYS A 11 13.158 1.561 1.195 1.00 0.00 N ATOM 0 H LYS A 11 8.680 1.574 6.831 1.00 0.00 H new ATOM 0 HA LYS A 11 9.659 0.653 4.244 1.00 0.00 H new ATOM 0 HB2 LYS A 11 11.084 2.651 5.498 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.819 1.223 6.197 1.00 0.00 H new ATOM 0 HG2 LYS A 11 13.149 1.357 4.352 1.00 0.00 H new ATOM 0 HG3 LYS A 11 11.843 0.454 3.612 1.00 0.00 H new ATOM 0 HD2 LYS A 11 10.968 2.344 2.516 1.00 0.00 H new ATOM 0 HD3 LYS A 11 11.709 3.468 3.637 1.00 0.00 H new ATOM 0 HE2 LYS A 11 12.952 3.630 1.598 1.00 0.00 H new ATOM 0 HE3 LYS A 11 13.973 2.769 2.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 13.865 1.785 0.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 13.447 0.703 1.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 12.235 1.401 0.744 1.00 0.00 H new ATOM 139 N TYR A 12 9.487 -1.518 5.423 1.00 0.00 N ATOM 140 CA TYR A 12 9.506 -2.841 6.037 1.00 0.00 C ATOM 141 C TYR A 12 9.982 -3.895 5.044 1.00 0.00 C ATOM 142 O TYR A 12 9.461 -3.996 3.933 1.00 0.00 O ATOM 143 CB TYR A 12 8.115 -3.204 6.560 1.00 0.00 C ATOM 144 CG TYR A 12 7.881 -2.788 7.994 1.00 0.00 C ATOM 145 CD1 TYR A 12 8.695 -3.259 9.016 1.00 0.00 C ATOM 146 CD2 TYR A 12 6.845 -1.923 8.326 1.00 0.00 C ATOM 147 CE1 TYR A 12 8.484 -2.881 10.329 1.00 0.00 C ATOM 148 CE2 TYR A 12 6.629 -1.539 9.637 1.00 0.00 C ATOM 149 CZ TYR A 12 7.450 -2.020 10.633 1.00 0.00 C ATOM 150 OH TYR A 12 7.238 -1.642 11.938 1.00 0.00 O ATOM 0 H TYR A 12 9.059 -1.489 4.498 1.00 0.00 H new ATOM 0 HA TYR A 12 10.204 -2.816 6.873 1.00 0.00 H new ATOM 0 HB2 TYR A 12 7.363 -2.733 5.926 1.00 0.00 H new ATOM 0 HB3 TYR A 12 7.974 -4.281 6.475 1.00 0.00 H new ATOM 0 HD1 TYR A 12 9.506 -3.932 8.781 1.00 0.00 H new ATOM 0 HD2 TYR A 12 6.198 -1.545 7.548 1.00 0.00 H new ATOM 0 HE1 TYR A 12 9.125 -3.258 11.112 1.00 0.00 H new ATOM 0 HE2 TYR A 12 5.820 -0.865 9.879 1.00 0.00 H new ATOM 0 HH TYR A 12 6.472 -1.032 11.982 1.00 0.00 H new ATOM 160 N THR A 13 10.976 -4.677 5.450 1.00 0.00 N ATOM 161 CA THR A 13 11.525 -5.724 4.595 1.00 0.00 C ATOM 162 C THR A 13 10.562 -6.904 4.494 1.00 0.00 C ATOM 163 O THR A 13 9.696 -7.087 5.348 1.00 0.00 O ATOM 164 CB THR A 13 12.874 -6.198 5.136 1.00 0.00 C ATOM 165 OG1 THR A 13 12.752 -6.633 6.479 1.00 0.00 O ATOM 166 CG2 THR A 13 13.944 -5.127 5.096 1.00 0.00 C ATOM 0 H THR A 13 11.419 -4.606 6.366 1.00 0.00 H new ATOM 0 HA THR A 13 11.667 -5.307 3.598 1.00 0.00 H new ATOM 0 HB THR A 13 13.176 -7.016 4.482 1.00 0.00 H new ATOM 0 HG1 THR A 13 13.625 -6.934 6.806 1.00 0.00 H new ATOM 0 HG21 THR A 13 14.876 -5.529 5.494 1.00 0.00 H new ATOM 0 HG22 THR A 13 14.098 -4.805 4.066 1.00 0.00 H new ATOM 0 HG23 THR A 13 13.629 -4.275 5.699 1.00 0.00 H new ATOM 174 N ALA A 14 10.720 -7.700 3.441 1.00 0.00 N ATOM 175 CA ALA A 14 9.866 -8.862 3.225 1.00 0.00 C ATOM 176 C ALA A 14 10.031 -9.880 4.349 1.00 0.00 C ATOM 177 O ALA A 14 9.068 -10.532 4.754 1.00 0.00 O ATOM 178 CB ALA A 14 10.176 -9.501 1.882 1.00 0.00 C ATOM 0 H ALA A 14 11.432 -7.561 2.724 1.00 0.00 H new ATOM 0 HA ALA A 14 8.829 -8.526 3.224 1.00 0.00 H new ATOM 0 HB1 ALA A 14 9.531 -10.367 1.734 1.00 0.00 H new ATOM 0 HB2 ALA A 14 10.001 -8.778 1.086 1.00 0.00 H new ATOM 0 HB3 ALA A 14 11.219 -9.817 1.862 1.00 0.00 H new ATOM 184 N ALA A 15 11.255 -10.012 4.845 1.00 0.00 N ATOM 185 CA ALA A 15 11.546 -10.951 5.921 1.00 0.00 C ATOM 186 C ALA A 15 10.767 -10.601 7.185 1.00 0.00 C ATOM 187 O ALA A 15 10.406 -11.480 7.967 1.00 0.00 O ATOM 188 CB ALA A 15 13.040 -10.977 6.210 1.00 0.00 C ATOM 0 H ALA A 15 12.062 -9.480 4.519 1.00 0.00 H new ATOM 0 HA ALA A 15 11.232 -11.943 5.596 1.00 0.00 H new ATOM 0 HB1 ALA A 15 13.242 -11.683 7.016 1.00 0.00 H new ATOM 0 HB2 ALA A 15 13.579 -11.285 5.314 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.370 -9.982 6.508 1.00 0.00 H new ATOM 194 N ARG A 16 10.511 -9.311 7.378 1.00 0.00 N ATOM 195 CA ARG A 16 9.775 -8.845 8.548 1.00 0.00 C ATOM 196 C ARG A 16 8.315 -9.282 8.483 1.00 0.00 C ATOM 197 O ARG A 16 7.815 -9.948 9.389 1.00 0.00 O ATOM 198 CB ARG A 16 9.860 -7.322 8.657 1.00 0.00 C ATOM 199 CG ARG A 16 11.133 -6.830 9.326 1.00 0.00 C ATOM 200 CD ARG A 16 11.009 -6.846 10.841 1.00 0.00 C ATOM 201 NE ARG A 16 12.267 -6.497 11.497 1.00 0.00 N ATOM 202 CZ ARG A 16 13.285 -7.343 11.644 1.00 0.00 C ATOM 203 NH1 ARG A 16 13.198 -8.585 11.183 1.00 0.00 N ATOM 204 NH2 ARG A 16 14.394 -6.945 12.253 1.00 0.00 N ATOM 0 H ARG A 16 10.802 -8.570 6.740 1.00 0.00 H new ATOM 0 HA ARG A 16 10.229 -9.291 9.433 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.794 -6.890 7.658 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.000 -6.958 9.219 1.00 0.00 H new ATOM 0 HG2 ARG A 16 11.971 -7.458 9.022 1.00 0.00 H new ATOM 0 HG3 ARG A 16 11.354 -5.817 8.989 1.00 0.00 H new ATOM 0 HD2 ARG A 16 10.233 -6.145 11.149 1.00 0.00 H new ATOM 0 HD3 ARG A 16 10.692 -7.836 11.168 1.00 0.00 H new ATOM 0 HE ARG A 16 12.372 -5.551 11.864 1.00 0.00 H new ATOM 0 HH11 ARG A 16 12.348 -8.896 10.713 1.00 0.00 H new ATOM 0 HH12 ARG A 16 13.981 -9.228 11.299 1.00 0.00 H new ATOM 0 HH21 ARG A 16 14.467 -5.992 12.608 1.00 0.00 H new ATOM 0 HH22 ARG A 16 15.174 -7.592 12.366 1.00 0.00 H new ATOM 218 N LEU A 17 7.635 -8.902 7.406 1.00 0.00 N ATOM 219 CA LEU A 17 6.232 -9.255 7.224 1.00 0.00 C ATOM 220 C LEU A 17 6.049 -10.769 7.207 1.00 0.00 C ATOM 221 O LEU A 17 5.015 -11.285 7.633 1.00 0.00 O ATOM 222 CB LEU A 17 5.698 -8.651 5.924 1.00 0.00 C ATOM 223 CG LEU A 17 5.910 -7.144 5.775 1.00 0.00 C ATOM 224 CD1 LEU A 17 5.575 -6.694 4.361 1.00 0.00 C ATOM 225 CD2 LEU A 17 5.070 -6.384 6.791 1.00 0.00 C ATOM 0 H LEU A 17 8.033 -8.350 6.646 1.00 0.00 H new ATOM 0 HA LEU A 17 5.669 -8.849 8.064 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.176 -9.155 5.084 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.631 -8.861 5.855 1.00 0.00 H new ATOM 0 HG LEU A 17 6.961 -6.925 5.965 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.732 -5.619 4.275 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.220 -7.213 3.652 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.533 -6.927 4.142 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.234 -5.313 6.670 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.015 -6.610 6.633 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.358 -6.684 7.799 1.00 0.00 H new ATOM 237 N HIS A 18 7.061 -11.477 6.714 1.00 0.00 N ATOM 238 CA HIS A 18 7.012 -12.933 6.643 1.00 0.00 C ATOM 239 C HIS A 18 6.986 -13.546 8.040 1.00 0.00 C ATOM 240 O HIS A 18 6.215 -14.465 8.311 1.00 0.00 O ATOM 241 CB HIS A 18 8.214 -13.466 5.862 1.00 0.00 C ATOM 242 CG HIS A 18 8.057 -14.887 5.418 1.00 0.00 C ATOM 243 ND1 HIS A 18 8.999 -15.863 5.668 1.00 0.00 N ATOM 244 CD2 HIS A 18 7.059 -15.497 4.735 1.00 0.00 C ATOM 245 CE1 HIS A 18 8.587 -17.010 5.159 1.00 0.00 C ATOM 246 NE2 HIS A 18 7.413 -16.815 4.587 1.00 0.00 N ATOM 0 H HIS A 18 7.924 -11.066 6.358 1.00 0.00 H new ATOM 0 HA HIS A 18 6.096 -13.216 6.125 1.00 0.00 H new ATOM 0 HB2 HIS A 18 8.377 -12.836 4.987 1.00 0.00 H new ATOM 0 HB3 HIS A 18 9.106 -13.385 6.483 1.00 0.00 H new ATOM 0 HD2 HIS A 18 6.153 -15.033 4.374 1.00 0.00 H new ATOM 0 HE1 HIS A 18 9.120 -17.948 5.203 1.00 0.00 H new ATOM 0 HE2 HIS A 18 6.859 -17.528 4.112 1.00 0.00 H new ATOM 255 N GLU A 19 7.836 -13.028 8.922 1.00 0.00 N ATOM 256 CA GLU A 19 7.911 -13.524 10.291 1.00 0.00 C ATOM 257 C GLU A 19 6.643 -13.181 11.065 1.00 0.00 C ATOM 258 O GLU A 19 6.227 -13.921 11.956 1.00 0.00 O ATOM 259 CB GLU A 19 9.130 -12.934 11.002 1.00 0.00 C ATOM 260 CG GLU A 19 10.457 -13.408 10.431 1.00 0.00 C ATOM 261 CD GLU A 19 10.869 -14.767 10.963 1.00 0.00 C ATOM 262 OE1 GLU A 19 11.322 -14.836 12.124 1.00 0.00 O ATOM 263 OE2 GLU A 19 10.739 -15.761 10.218 1.00 0.00 O ATOM 0 H GLU A 19 8.481 -12.266 8.713 1.00 0.00 H new ATOM 0 HA GLU A 19 8.009 -14.609 10.253 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.085 -11.847 10.940 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.085 -13.195 12.059 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.385 -13.454 9.344 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.232 -12.679 10.669 1.00 0.00 H new ATOM 270 N LYS A 20 6.031 -12.053 10.718 1.00 0.00 N ATOM 271 CA LYS A 20 4.809 -11.610 11.380 1.00 0.00 C ATOM 272 C LYS A 20 3.620 -12.466 10.958 1.00 0.00 C ATOM 273 O LYS A 20 2.712 -12.717 11.751 1.00 0.00 O ATOM 274 CB LYS A 20 4.535 -10.140 11.058 1.00 0.00 C ATOM 275 CG LYS A 20 5.668 -9.209 11.457 1.00 0.00 C ATOM 276 CD LYS A 20 5.621 -7.907 10.674 1.00 0.00 C ATOM 277 CE LYS A 20 4.987 -6.790 11.488 1.00 0.00 C ATOM 278 NZ LYS A 20 5.458 -5.447 11.051 1.00 0.00 N ATOM 0 H LYS A 20 6.361 -11.429 9.982 1.00 0.00 H new ATOM 0 HA LYS A 20 4.948 -11.720 12.456 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.352 -10.039 9.988 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.623 -9.829 11.568 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.606 -8.995 12.524 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.624 -9.704 11.286 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.631 -7.619 10.384 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.055 -8.055 9.754 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.902 -6.843 11.393 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.222 -6.931 12.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.002 -4.714 11.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.490 -5.387 11.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.211 -5.301 10.051 1.00 0.00 H new ATOM 292 N GLY A 21 3.630 -12.912 9.706 1.00 0.00 N ATOM 293 CA GLY A 21 2.546 -13.735 9.203 1.00 0.00 C ATOM 294 C GLY A 21 1.807 -13.086 8.048 1.00 0.00 C ATOM 295 O GLY A 21 1.127 -13.767 7.279 1.00 0.00 O ATOM 0 H GLY A 21 4.370 -12.718 9.031 1.00 0.00 H new ATOM 0 HA2 GLY A 21 2.945 -14.696 8.880 1.00 0.00 H new ATOM 0 HA3 GLY A 21 1.843 -13.937 10.011 1.00 0.00 H new ATOM 299 N VAL A 22 1.936 -11.768 7.924 1.00 0.00 N ATOM 300 CA VAL A 22 1.273 -11.031 6.855 1.00 0.00 C ATOM 301 C VAL A 22 1.668 -11.574 5.485 1.00 0.00 C ATOM 302 O VAL A 22 0.821 -12.043 4.724 1.00 0.00 O ATOM 303 CB VAL A 22 1.608 -9.529 6.914 1.00 0.00 C ATOM 304 CG1 VAL A 22 0.781 -8.754 5.898 1.00 0.00 C ATOM 305 CG2 VAL A 22 1.385 -8.986 8.319 1.00 0.00 C ATOM 0 H VAL A 22 2.494 -11.189 8.551 1.00 0.00 H new ATOM 0 HA VAL A 22 0.201 -11.162 7.001 1.00 0.00 H new ATOM 0 HB VAL A 22 2.661 -9.402 6.662 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.033 -7.695 5.956 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.996 -9.124 4.896 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.279 -8.887 6.114 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.627 -7.923 8.341 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.342 -9.127 8.602 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.026 -9.519 9.021 1.00 0.00 H new ATOM 315 N LEU A 23 2.959 -11.509 5.177 1.00 0.00 N ATOM 316 CA LEU A 23 3.465 -11.994 3.899 1.00 0.00 C ATOM 317 C LEU A 23 3.552 -13.517 3.891 1.00 0.00 C ATOM 318 O LEU A 23 4.030 -14.126 4.848 1.00 0.00 O ATOM 319 CB LEU A 23 4.841 -11.391 3.608 1.00 0.00 C ATOM 320 CG LEU A 23 5.289 -11.476 2.148 1.00 0.00 C ATOM 321 CD1 LEU A 23 4.345 -10.689 1.254 1.00 0.00 C ATOM 322 CD2 LEU A 23 6.716 -10.968 1.999 1.00 0.00 C ATOM 0 H LEU A 23 3.674 -11.125 5.795 1.00 0.00 H new ATOM 0 HA LEU A 23 2.769 -11.684 3.120 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.833 -10.344 3.909 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.581 -11.896 4.229 1.00 0.00 H new ATOM 0 HG LEU A 23 5.262 -12.521 1.839 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.679 -10.761 0.219 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.338 -11.098 1.339 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.340 -9.643 1.562 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.019 -11.035 0.954 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.768 -9.929 2.326 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.384 -11.575 2.610 1.00 0.00 H new ATOM 334 N LEU A 24 3.088 -14.125 2.806 1.00 0.00 N ATOM 335 CA LEU A 24 3.113 -15.577 2.673 1.00 0.00 C ATOM 336 C LEU A 24 4.344 -16.030 1.894 1.00 0.00 C ATOM 337 O LEU A 24 5.259 -16.631 2.456 1.00 0.00 O ATOM 338 CB LEU A 24 1.842 -16.069 1.977 1.00 0.00 C ATOM 339 CG LEU A 24 0.535 -15.710 2.687 1.00 0.00 C ATOM 340 CD1 LEU A 24 -0.660 -16.194 1.881 1.00 0.00 C ATOM 341 CD2 LEU A 24 0.510 -16.304 4.088 1.00 0.00 C ATOM 0 H LEU A 24 2.690 -13.635 2.005 1.00 0.00 H new ATOM 0 HA LEU A 24 3.160 -16.008 3.673 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.815 -15.656 0.969 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.897 -17.153 1.876 1.00 0.00 H new ATOM 0 HG LEU A 24 0.475 -14.625 2.772 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.581 -15.930 2.401 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.651 -15.723 0.898 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.606 -17.277 1.765 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.426 -16.039 4.579 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.592 -17.389 4.025 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.346 -15.910 4.665 1.00 0.00 H new ATOM 353 N GLU A 25 4.358 -15.738 0.598 1.00 0.00 N ATOM 354 CA GLU A 25 5.477 -16.116 -0.258 1.00 0.00 C ATOM 355 C GLU A 25 5.498 -15.274 -1.530 1.00 0.00 C ATOM 356 O GLU A 25 4.642 -14.411 -1.729 1.00 0.00 O ATOM 357 CB GLU A 25 5.394 -17.600 -0.617 1.00 0.00 C ATOM 358 CG GLU A 25 6.110 -18.506 0.370 1.00 0.00 C ATOM 359 CD GLU A 25 6.261 -19.925 -0.143 1.00 0.00 C ATOM 360 OE1 GLU A 25 6.687 -20.093 -1.304 1.00 0.00 O ATOM 361 OE2 GLU A 25 5.950 -20.867 0.616 1.00 0.00 O ATOM 0 H GLU A 25 3.608 -15.241 0.117 1.00 0.00 H new ATOM 0 HA GLU A 25 6.400 -15.934 0.293 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.346 -17.894 -0.672 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.820 -17.749 -1.609 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.096 -18.095 0.585 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.559 -18.520 1.310 1.00 0.00 H new ATOM 368 N ILE A 26 6.480 -15.531 -2.386 1.00 0.00 N ATOM 369 CA ILE A 26 6.612 -14.799 -3.639 1.00 0.00 C ATOM 370 C ILE A 26 6.958 -15.738 -4.789 1.00 0.00 C ATOM 371 O ILE A 26 7.649 -16.739 -4.600 1.00 0.00 O ATOM 372 CB ILE A 26 7.693 -13.705 -3.541 1.00 0.00 C ATOM 373 CG1 ILE A 26 7.486 -12.865 -2.280 1.00 0.00 C ATOM 374 CG2 ILE A 26 7.670 -12.825 -4.782 1.00 0.00 C ATOM 375 CD1 ILE A 26 8.644 -11.941 -1.973 1.00 0.00 C ATOM 0 H ILE A 26 7.196 -16.241 -2.235 1.00 0.00 H new ATOM 0 HA ILE A 26 5.648 -14.329 -3.834 1.00 0.00 H new ATOM 0 HB ILE A 26 8.670 -14.184 -3.478 1.00 0.00 H new ATOM 0 HG12 ILE A 26 6.579 -12.272 -2.393 1.00 0.00 H new ATOM 0 HG13 ILE A 26 7.328 -13.531 -1.432 1.00 0.00 H new ATOM 0 HG21 ILE A 26 8.439 -12.057 -4.698 1.00 0.00 H new ATOM 0 HG22 ILE A 26 7.862 -13.435 -5.664 1.00 0.00 H new ATOM 0 HG23 ILE A 26 6.693 -12.351 -4.874 1.00 0.00 H new ATOM 0 HD11 ILE A 26 8.428 -11.376 -1.066 1.00 0.00 H new ATOM 0 HD12 ILE A 26 9.550 -12.529 -1.828 1.00 0.00 H new ATOM 0 HD13 ILE A 26 8.789 -11.251 -2.804 1.00 0.00 H new ATOM 387 N GLU A 27 6.474 -15.409 -5.983 1.00 0.00 N ATOM 388 CA GLU A 27 6.732 -16.224 -7.164 1.00 0.00 C ATOM 389 C GLU A 27 7.972 -15.732 -7.905 1.00 0.00 C ATOM 390 O GLU A 27 7.947 -15.536 -9.120 1.00 0.00 O ATOM 391 CB GLU A 27 5.520 -16.203 -8.096 1.00 0.00 C ATOM 392 CG GLU A 27 4.220 -16.595 -7.414 1.00 0.00 C ATOM 393 CD GLU A 27 3.002 -16.303 -8.268 1.00 0.00 C ATOM 394 OE1 GLU A 27 2.868 -15.154 -8.741 1.00 0.00 O ATOM 395 OE2 GLU A 27 2.180 -17.223 -8.465 1.00 0.00 O ATOM 0 H GLU A 27 5.901 -14.583 -6.158 1.00 0.00 H new ATOM 0 HA GLU A 27 6.912 -17.248 -6.838 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.413 -15.203 -8.516 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.702 -16.881 -8.930 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.245 -17.658 -7.176 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.134 -16.058 -6.469 1.00 0.00 H new ATOM 402 N ASP A 28 9.058 -15.534 -7.163 1.00 0.00 N ATOM 403 CA ASP A 28 10.308 -15.065 -7.750 1.00 0.00 C ATOM 404 C ASP A 28 11.426 -15.051 -6.712 1.00 0.00 C ATOM 405 O ASP A 28 12.513 -15.574 -6.950 1.00 0.00 O ATOM 406 CB ASP A 28 10.126 -13.666 -8.339 1.00 0.00 C ATOM 407 CG ASP A 28 11.305 -13.239 -9.191 1.00 0.00 C ATOM 408 OD1 ASP A 28 11.706 -14.017 -10.082 1.00 0.00 O ATOM 409 OD2 ASP A 28 11.827 -12.127 -8.968 1.00 0.00 O ATOM 0 H ASP A 28 9.097 -15.691 -6.156 1.00 0.00 H new ATOM 0 HA ASP A 28 10.586 -15.754 -8.547 1.00 0.00 H new ATOM 0 HB2 ASP A 28 9.219 -13.644 -8.942 1.00 0.00 H new ATOM 0 HB3 ASP A 28 9.988 -12.949 -7.530 1.00 0.00 H new ATOM 414 N LEU A 29 11.149 -14.446 -5.561 1.00 0.00 N ATOM 415 CA LEU A 29 12.133 -14.362 -4.487 1.00 0.00 C ATOM 416 C LEU A 29 11.905 -15.458 -3.452 1.00 0.00 C ATOM 417 O LEU A 29 10.806 -15.601 -2.915 1.00 0.00 O ATOM 418 CB LEU A 29 12.068 -12.989 -3.815 1.00 0.00 C ATOM 419 CG LEU A 29 12.609 -11.831 -4.653 1.00 0.00 C ATOM 420 CD1 LEU A 29 14.048 -12.101 -5.069 1.00 0.00 C ATOM 421 CD2 LEU A 29 11.733 -11.603 -5.876 1.00 0.00 C ATOM 0 H LEU A 29 10.253 -14.007 -5.348 1.00 0.00 H new ATOM 0 HA LEU A 29 13.122 -14.500 -4.923 1.00 0.00 H new ATOM 0 HB2 LEU A 29 11.030 -12.777 -3.557 1.00 0.00 H new ATOM 0 HB3 LEU A 29 12.627 -13.032 -2.880 1.00 0.00 H new ATOM 0 HG LEU A 29 12.591 -10.927 -4.044 1.00 0.00 H new ATOM 0 HD11 LEU A 29 14.417 -11.266 -5.665 1.00 0.00 H new ATOM 0 HD12 LEU A 29 14.668 -12.215 -4.180 1.00 0.00 H new ATOM 0 HD13 LEU A 29 14.090 -13.016 -5.660 1.00 0.00 H new ATOM 0 HD21 LEU A 29 12.133 -10.775 -6.461 1.00 0.00 H new ATOM 0 HD22 LEU A 29 11.719 -12.506 -6.487 1.00 0.00 H new ATOM 0 HD23 LEU A 29 10.718 -11.365 -5.557 1.00 0.00 H new ATOM 433 N GLN A 30 12.952 -16.227 -3.174 1.00 0.00 N ATOM 434 CA GLN A 30 12.868 -17.309 -2.199 1.00 0.00 C ATOM 435 C GLN A 30 12.681 -16.755 -0.791 1.00 0.00 C ATOM 436 O GLN A 30 12.480 -15.555 -0.609 1.00 0.00 O ATOM 437 CB GLN A 30 14.128 -18.176 -2.256 1.00 0.00 C ATOM 438 CG GLN A 30 14.477 -18.654 -3.656 1.00 0.00 C ATOM 439 CD GLN A 30 13.597 -19.800 -4.116 1.00 0.00 C ATOM 440 OE1 GLN A 30 13.137 -20.607 -3.309 1.00 0.00 O ATOM 441 NE2 GLN A 30 13.361 -19.876 -5.420 1.00 0.00 N ATOM 0 H GLN A 30 13.868 -16.122 -3.609 1.00 0.00 H new ATOM 0 HA GLN A 30 12.003 -17.924 -2.448 1.00 0.00 H new ATOM 0 HB2 GLN A 30 14.968 -17.608 -1.856 1.00 0.00 H new ATOM 0 HB3 GLN A 30 13.992 -19.043 -1.609 1.00 0.00 H new ATOM 0 HG2 GLN A 30 14.380 -17.823 -4.355 1.00 0.00 H new ATOM 0 HG3 GLN A 30 15.520 -18.970 -3.679 1.00 0.00 H new ATOM 0 HE21 GLN A 30 13.764 -19.184 -6.052 1.00 0.00 H new ATOM 0 HE22 GLN A 30 12.777 -20.626 -5.790 1.00 0.00 H new ATOM 450 N VAL A 31 12.748 -17.635 0.201 1.00 0.00 N ATOM 451 CA VAL A 31 12.587 -17.231 1.593 1.00 0.00 C ATOM 452 C VAL A 31 13.766 -16.383 2.057 1.00 0.00 C ATOM 453 O VAL A 31 13.584 -15.286 2.587 1.00 0.00 O ATOM 454 CB VAL A 31 12.449 -18.453 2.521 1.00 0.00 C ATOM 455 CG1 VAL A 31 12.134 -18.014 3.943 1.00 0.00 C ATOM 456 CG2 VAL A 31 11.381 -19.404 2.001 1.00 0.00 C ATOM 0 H VAL A 31 12.913 -18.633 0.068 1.00 0.00 H new ATOM 0 HA VAL A 31 11.673 -16.639 1.648 1.00 0.00 H new ATOM 0 HB VAL A 31 13.401 -18.984 2.532 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.040 -18.892 4.582 1.00 0.00 H new ATOM 0 HG12 VAL A 31 12.938 -17.379 4.314 1.00 0.00 H new ATOM 0 HG13 VAL A 31 11.197 -17.457 3.953 1.00 0.00 H new ATOM 0 HG21 VAL A 31 11.299 -20.260 2.670 1.00 0.00 H new ATOM 0 HG22 VAL A 31 10.423 -18.886 1.956 1.00 0.00 H new ATOM 0 HG23 VAL A 31 11.655 -19.748 1.004 1.00 0.00 H new ATOM 466 N ASN A 32 14.975 -16.897 1.855 1.00 0.00 N ATOM 467 CA ASN A 32 16.186 -16.188 2.252 1.00 0.00 C ATOM 468 C ASN A 32 16.358 -14.900 1.450 1.00 0.00 C ATOM 469 O ASN A 32 17.066 -13.985 1.873 1.00 0.00 O ATOM 470 CB ASN A 32 17.411 -17.084 2.067 1.00 0.00 C ATOM 471 CG ASN A 32 17.494 -17.667 0.668 1.00 0.00 C ATOM 472 OD1 ASN A 32 17.218 -18.847 0.458 1.00 0.00 O ATOM 473 ND2 ASN A 32 17.878 -16.838 -0.296 1.00 0.00 N ATOM 0 H ASN A 32 15.142 -17.803 1.418 1.00 0.00 H new ATOM 0 HA ASN A 32 16.090 -15.926 3.306 1.00 0.00 H new ATOM 0 HB2 ASN A 32 18.313 -16.508 2.272 1.00 0.00 H new ATOM 0 HB3 ASN A 32 17.378 -17.895 2.795 1.00 0.00 H new ATOM 0 HD21 ASN A 32 17.954 -17.173 -1.256 1.00 0.00 H new ATOM 0 HD22 ASN A 32 18.097 -15.866 -0.076 1.00 0.00 H new ATOM 480 N GLN A 33 15.708 -14.831 0.291 1.00 0.00 N ATOM 481 CA GLN A 33 15.794 -13.654 -0.565 1.00 0.00 C ATOM 482 C GLN A 33 15.027 -12.480 0.040 1.00 0.00 C ATOM 483 O GLN A 33 15.272 -11.324 -0.305 1.00 0.00 O ATOM 484 CB GLN A 33 15.249 -13.970 -1.958 1.00 0.00 C ATOM 485 CG GLN A 33 16.143 -14.899 -2.765 1.00 0.00 C ATOM 486 CD GLN A 33 16.495 -14.335 -4.128 1.00 0.00 C ATOM 487 OE1 GLN A 33 17.351 -13.459 -4.247 1.00 0.00 O ATOM 488 NE2 GLN A 33 15.833 -14.837 -5.164 1.00 0.00 N ATOM 0 H GLN A 33 15.117 -15.577 -0.076 1.00 0.00 H new ATOM 0 HA GLN A 33 16.844 -13.373 -0.648 1.00 0.00 H new ATOM 0 HB2 GLN A 33 14.263 -14.424 -1.859 1.00 0.00 H new ATOM 0 HB3 GLN A 33 15.117 -13.038 -2.508 1.00 0.00 H new ATOM 0 HG2 GLN A 33 17.060 -15.089 -2.207 1.00 0.00 H new ATOM 0 HG3 GLN A 33 15.642 -15.859 -2.892 1.00 0.00 H new ATOM 0 HE21 GLN A 33 15.131 -15.563 -5.018 1.00 0.00 H new ATOM 0 HE22 GLN A 33 16.026 -14.497 -6.106 1.00 0.00 H new ATOM 497 N PHE A 34 14.099 -12.784 0.944 1.00 0.00 N ATOM 498 CA PHE A 34 13.299 -11.754 1.596 1.00 0.00 C ATOM 499 C PHE A 34 14.185 -10.665 2.199 1.00 0.00 C ATOM 500 O PHE A 34 13.762 -9.518 2.346 1.00 0.00 O ATOM 501 CB PHE A 34 12.427 -12.378 2.688 1.00 0.00 C ATOM 502 CG PHE A 34 11.126 -12.934 2.180 1.00 0.00 C ATOM 503 CD1 PHE A 34 11.054 -13.543 0.937 1.00 0.00 C ATOM 504 CD2 PHE A 34 9.976 -12.850 2.948 1.00 0.00 C ATOM 505 CE1 PHE A 34 9.859 -14.057 0.469 1.00 0.00 C ATOM 506 CE2 PHE A 34 8.778 -13.362 2.485 1.00 0.00 C ATOM 507 CZ PHE A 34 8.720 -13.965 1.245 1.00 0.00 C ATOM 0 H PHE A 34 13.883 -13.736 1.241 1.00 0.00 H new ATOM 0 HA PHE A 34 12.661 -11.295 0.841 1.00 0.00 H new ATOM 0 HB2 PHE A 34 12.987 -13.176 3.176 1.00 0.00 H new ATOM 0 HB3 PHE A 34 12.218 -11.625 3.448 1.00 0.00 H new ATOM 0 HD1 PHE A 34 11.942 -13.617 0.327 1.00 0.00 H new ATOM 0 HD2 PHE A 34 10.016 -12.379 3.919 1.00 0.00 H new ATOM 0 HE1 PHE A 34 9.816 -14.529 -0.501 1.00 0.00 H new ATOM 0 HE2 PHE A 34 7.888 -13.290 3.093 1.00 0.00 H new ATOM 0 HZ PHE A 34 7.785 -14.365 0.882 1.00 0.00 H new ATOM 517 N LYS A 35 15.415 -11.032 2.543 1.00 0.00 N ATOM 518 CA LYS A 35 16.360 -10.087 3.127 1.00 0.00 C ATOM 519 C LYS A 35 16.797 -9.046 2.099 1.00 0.00 C ATOM 520 O LYS A 35 17.145 -7.920 2.454 1.00 0.00 O ATOM 521 CB LYS A 35 17.582 -10.829 3.675 1.00 0.00 C ATOM 522 CG LYS A 35 17.557 -11.006 5.185 1.00 0.00 C ATOM 523 CD LYS A 35 18.954 -10.933 5.778 1.00 0.00 C ATOM 524 CE LYS A 35 19.136 -11.933 6.909 1.00 0.00 C ATOM 525 NZ LYS A 35 20.351 -12.773 6.718 1.00 0.00 N ATOM 0 H LYS A 35 15.781 -11.977 2.427 1.00 0.00 H new ATOM 0 HA LYS A 35 15.860 -9.571 3.947 1.00 0.00 H new ATOM 0 HB2 LYS A 35 17.644 -11.810 3.203 1.00 0.00 H new ATOM 0 HB3 LYS A 35 18.484 -10.284 3.396 1.00 0.00 H new ATOM 0 HG2 LYS A 35 16.930 -10.235 5.632 1.00 0.00 H new ATOM 0 HG3 LYS A 35 17.106 -11.967 5.432 1.00 0.00 H new ATOM 0 HD2 LYS A 35 19.691 -11.126 4.999 1.00 0.00 H new ATOM 0 HD3 LYS A 35 19.140 -9.925 6.149 1.00 0.00 H new ATOM 0 HE2 LYS A 35 19.209 -11.400 7.857 1.00 0.00 H new ATOM 0 HE3 LYS A 35 18.257 -12.575 6.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 20.439 -13.441 7.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 20.271 -13.302 5.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 21.193 -12.163 6.684 1.00 0.00 H new ATOM 539 N ASN A 36 16.779 -9.428 0.826 1.00 0.00 N ATOM 540 CA ASN A 36 17.174 -8.524 -0.249 1.00 0.00 C ATOM 541 C ASN A 36 15.952 -7.888 -0.904 1.00 0.00 C ATOM 542 O ASN A 36 15.953 -7.608 -2.103 1.00 0.00 O ATOM 543 CB ASN A 36 18.001 -9.273 -1.297 1.00 0.00 C ATOM 544 CG ASN A 36 17.217 -10.383 -1.968 1.00 0.00 C ATOM 545 OD1 ASN A 36 16.143 -10.152 -2.523 1.00 0.00 O ATOM 546 ND2 ASN A 36 17.752 -11.598 -1.922 1.00 0.00 N ATOM 0 H ASN A 36 16.495 -10.357 0.514 1.00 0.00 H new ATOM 0 HA ASN A 36 17.784 -7.731 0.184 1.00 0.00 H new ATOM 0 HB2 ASN A 36 18.348 -8.569 -2.053 1.00 0.00 H new ATOM 0 HB3 ASN A 36 18.888 -9.694 -0.823 1.00 0.00 H new ATOM 0 HD21 ASN A 36 17.270 -12.384 -2.358 1.00 0.00 H new ATOM 0 HD22 ASN A 36 18.645 -11.745 -1.451 1.00 0.00 H new ATOM 553 N VAL A 37 14.911 -7.663 -0.110 1.00 0.00 N ATOM 554 CA VAL A 37 13.682 -7.058 -0.611 1.00 0.00 C ATOM 555 C VAL A 37 13.069 -6.124 0.427 1.00 0.00 C ATOM 556 O VAL A 37 13.019 -6.447 1.614 1.00 0.00 O ATOM 557 CB VAL A 37 12.645 -8.128 -0.998 1.00 0.00 C ATOM 558 CG1 VAL A 37 11.457 -7.491 -1.702 1.00 0.00 C ATOM 559 CG2 VAL A 37 13.281 -9.197 -1.873 1.00 0.00 C ATOM 0 H VAL A 37 14.894 -7.891 0.884 1.00 0.00 H new ATOM 0 HA VAL A 37 13.950 -6.486 -1.499 1.00 0.00 H new ATOM 0 HB VAL A 37 12.285 -8.604 -0.086 1.00 0.00 H new ATOM 0 HG11 VAL A 37 10.735 -8.263 -1.968 1.00 0.00 H new ATOM 0 HG12 VAL A 37 10.986 -6.767 -1.038 1.00 0.00 H new ATOM 0 HG13 VAL A 37 11.798 -6.986 -2.606 1.00 0.00 H new ATOM 0 HG21 VAL A 37 12.533 -9.944 -2.136 1.00 0.00 H new ATOM 0 HG22 VAL A 37 13.671 -8.739 -2.782 1.00 0.00 H new ATOM 0 HG23 VAL A 37 14.096 -9.675 -1.329 1.00 0.00 H new ATOM 569 N ILE A 38 12.605 -4.965 -0.026 1.00 0.00 N ATOM 570 CA ILE A 38 11.997 -3.985 0.865 1.00 0.00 C ATOM 571 C ILE A 38 10.716 -3.413 0.264 1.00 0.00 C ATOM 572 O ILE A 38 10.633 -3.184 -0.942 1.00 0.00 O ATOM 573 CB ILE A 38 12.971 -2.832 1.179 1.00 0.00 C ATOM 574 CG1 ILE A 38 12.360 -1.877 2.207 1.00 0.00 C ATOM 575 CG2 ILE A 38 13.342 -2.086 -0.095 1.00 0.00 C ATOM 576 CD1 ILE A 38 13.301 -1.525 3.339 1.00 0.00 C ATOM 0 H ILE A 38 12.638 -4.681 -1.005 1.00 0.00 H new ATOM 0 HA ILE A 38 11.755 -4.505 1.792 1.00 0.00 H new ATOM 0 HB ILE A 38 13.881 -3.255 1.605 1.00 0.00 H new ATOM 0 HG12 ILE A 38 12.053 -0.961 1.702 1.00 0.00 H new ATOM 0 HG13 ILE A 38 11.459 -2.330 2.621 1.00 0.00 H new ATOM 0 HG21 ILE A 38 14.030 -1.275 0.145 1.00 0.00 H new ATOM 0 HG22 ILE A 38 13.820 -2.773 -0.793 1.00 0.00 H new ATOM 0 HG23 ILE A 38 12.442 -1.674 -0.551 1.00 0.00 H new ATOM 0 HD11 ILE A 38 12.802 -0.845 4.029 1.00 0.00 H new ATOM 0 HD12 ILE A 38 13.589 -2.433 3.869 1.00 0.00 H new ATOM 0 HD13 ILE A 38 14.191 -1.043 2.935 1.00 0.00 H new ATOM 588 N PHE A 39 9.721 -3.182 1.115 1.00 0.00 N ATOM 589 CA PHE A 39 8.445 -2.636 0.669 1.00 0.00 C ATOM 590 C PHE A 39 8.311 -1.170 1.071 1.00 0.00 C ATOM 591 O PHE A 39 8.226 -0.847 2.257 1.00 0.00 O ATOM 592 CB PHE A 39 7.287 -3.446 1.255 1.00 0.00 C ATOM 593 CG PHE A 39 7.074 -4.768 0.574 1.00 0.00 C ATOM 594 CD1 PHE A 39 6.367 -4.843 -0.616 1.00 0.00 C ATOM 595 CD2 PHE A 39 7.581 -5.935 1.123 1.00 0.00 C ATOM 596 CE1 PHE A 39 6.171 -6.059 -1.244 1.00 0.00 C ATOM 597 CE2 PHE A 39 7.386 -7.152 0.499 1.00 0.00 C ATOM 598 CZ PHE A 39 6.681 -7.214 -0.687 1.00 0.00 C ATOM 0 H PHE A 39 9.774 -3.365 2.117 1.00 0.00 H new ATOM 0 HA PHE A 39 8.410 -2.701 -0.419 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.475 -3.619 2.315 1.00 0.00 H new ATOM 0 HB3 PHE A 39 6.371 -2.859 1.185 1.00 0.00 H new ATOM 0 HD1 PHE A 39 5.965 -3.943 -1.057 1.00 0.00 H new ATOM 0 HD2 PHE A 39 8.135 -5.893 2.049 1.00 0.00 H new ATOM 0 HE1 PHE A 39 5.619 -6.105 -2.171 1.00 0.00 H new ATOM 0 HE2 PHE A 39 7.785 -8.054 0.938 1.00 0.00 H new ATOM 0 HZ PHE A 39 6.529 -8.164 -1.177 1.00 0.00 H new ATOM 608 N GLU A 40 8.293 -0.289 0.078 1.00 0.00 N ATOM 609 CA GLU A 40 8.170 1.143 0.328 1.00 0.00 C ATOM 610 C GLU A 40 6.725 1.602 0.161 1.00 0.00 C ATOM 611 O GLU A 40 6.247 1.791 -0.957 1.00 0.00 O ATOM 612 CB GLU A 40 9.078 1.928 -0.620 1.00 0.00 C ATOM 613 CG GLU A 40 9.626 3.210 -0.015 1.00 0.00 C ATOM 614 CD GLU A 40 8.944 4.450 -0.560 1.00 0.00 C ATOM 615 OE1 GLU A 40 8.757 4.531 -1.793 1.00 0.00 O ATOM 616 OE2 GLU A 40 8.598 5.340 0.244 1.00 0.00 O ATOM 0 H GLU A 40 8.362 -0.540 -0.908 1.00 0.00 H new ATOM 0 HA GLU A 40 8.477 1.334 1.356 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.911 1.293 -0.921 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.521 2.172 -1.524 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.503 3.178 1.068 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.696 3.272 -0.212 1.00 0.00 H new ATOM 623 N ILE A 41 6.034 1.781 1.282 1.00 0.00 N ATOM 624 CA ILE A 41 4.645 2.217 1.262 1.00 0.00 C ATOM 625 C ILE A 41 4.530 3.701 1.597 1.00 0.00 C ATOM 626 O ILE A 41 4.654 4.097 2.756 1.00 0.00 O ATOM 627 CB ILE A 41 3.785 1.410 2.255 1.00 0.00 C ATOM 628 CG1 ILE A 41 4.023 -0.089 2.066 1.00 0.00 C ATOM 629 CG2 ILE A 41 2.313 1.746 2.075 1.00 0.00 C ATOM 630 CD1 ILE A 41 3.590 -0.922 3.254 1.00 0.00 C ATOM 0 H ILE A 41 6.415 1.630 2.216 1.00 0.00 H new ATOM 0 HA ILE A 41 4.275 2.044 0.251 1.00 0.00 H new ATOM 0 HB ILE A 41 4.077 1.680 3.270 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.485 -0.426 1.180 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.083 -0.260 1.879 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.719 1.168 2.783 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.158 2.810 2.254 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.006 1.501 1.058 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.788 -1.975 3.052 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.147 -0.612 4.138 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.523 -0.780 3.429 1.00 0.00 H new ATOM 642 N SER A 42 4.294 4.517 0.576 1.00 0.00 N ATOM 643 CA SER A 42 4.163 5.957 0.764 1.00 0.00 C ATOM 644 C SER A 42 2.703 6.346 0.996 1.00 0.00 C ATOM 645 O SER A 42 1.833 6.018 0.191 1.00 0.00 O ATOM 646 CB SER A 42 4.711 6.703 -0.455 1.00 0.00 C ATOM 647 OG SER A 42 6.124 6.803 -0.398 1.00 0.00 O ATOM 0 H SER A 42 4.190 4.206 -0.390 1.00 0.00 H new ATOM 0 HA SER A 42 4.741 6.237 1.645 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.416 6.183 -1.366 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.274 7.701 -0.502 1.00 0.00 H new ATOM 0 HG SER A 42 6.502 5.942 -0.121 1.00 0.00 H new ATOM 653 N PRO A 43 2.412 7.052 2.106 1.00 0.00 N ATOM 654 CA PRO A 43 1.046 7.478 2.429 1.00 0.00 C ATOM 655 C PRO A 43 0.399 8.258 1.291 1.00 0.00 C ATOM 656 O PRO A 43 1.050 9.069 0.631 1.00 0.00 O ATOM 657 CB PRO A 43 1.231 8.378 3.655 1.00 0.00 C ATOM 658 CG PRO A 43 2.511 7.929 4.268 1.00 0.00 C ATOM 659 CD PRO A 43 3.383 7.490 3.126 1.00 0.00 C ATOM 0 HA PRO A 43 0.387 6.628 2.604 1.00 0.00 H new ATOM 0 HB2 PRO A 43 1.276 9.429 3.371 1.00 0.00 H new ATOM 0 HB3 PRO A 43 0.400 8.272 4.352 1.00 0.00 H new ATOM 0 HG2 PRO A 43 2.980 8.737 4.829 1.00 0.00 H new ATOM 0 HG3 PRO A 43 2.343 7.111 4.968 1.00 0.00 H new ATOM 0 HD2 PRO A 43 4.009 8.305 2.762 1.00 0.00 H new ATOM 0 HD3 PRO A 43 4.052 6.680 3.419 1.00 0.00 H new ATOM 667 N THR A 44 -0.886 8.008 1.063 1.00 0.00 N ATOM 668 CA THR A 44 -1.621 8.687 0.002 1.00 0.00 C ATOM 669 C THR A 44 -2.206 10.003 0.501 1.00 0.00 C ATOM 670 O THR A 44 -2.231 10.268 1.704 1.00 0.00 O ATOM 671 CB THR A 44 -2.738 7.787 -0.529 1.00 0.00 C ATOM 672 OG1 THR A 44 -2.473 6.428 -0.230 1.00 0.00 O ATOM 673 CG2 THR A 44 -2.934 7.898 -2.026 1.00 0.00 C ATOM 0 H THR A 44 -1.440 7.340 1.599 1.00 0.00 H new ATOM 0 HA THR A 44 -0.924 8.905 -0.807 1.00 0.00 H new ATOM 0 HB THR A 44 -3.646 8.130 -0.033 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.573 5.889 -1.042 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.741 7.234 -2.338 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.189 8.926 -2.284 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.013 7.614 -2.536 1.00 0.00 H new ATOM 681 N GLU A 45 -2.676 10.827 -0.430 1.00 0.00 N ATOM 682 CA GLU A 45 -3.263 12.117 -0.085 1.00 0.00 C ATOM 683 C GLU A 45 -4.640 11.937 0.547 1.00 0.00 C ATOM 684 O GLU A 45 -4.986 12.623 1.509 1.00 0.00 O ATOM 685 CB GLU A 45 -3.373 13.001 -1.329 1.00 0.00 C ATOM 686 CG GLU A 45 -4.309 12.445 -2.390 1.00 0.00 C ATOM 687 CD GLU A 45 -4.334 13.293 -3.647 1.00 0.00 C ATOM 688 OE1 GLU A 45 -3.393 13.176 -4.461 1.00 0.00 O ATOM 689 OE2 GLU A 45 -5.293 14.074 -3.817 1.00 0.00 O ATOM 0 H GLU A 45 -2.662 10.624 -1.430 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.610 12.602 0.641 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.721 13.990 -1.032 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.381 13.129 -1.762 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.001 11.431 -2.646 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.317 12.378 -1.981 1.00 0.00 H new ATOM 696 N GLU A 46 -5.419 11.010 0.001 1.00 0.00 N ATOM 697 CA GLU A 46 -6.759 10.740 0.511 1.00 0.00 C ATOM 698 C GLU A 46 -6.767 9.485 1.379 1.00 0.00 C ATOM 699 O GLU A 46 -5.724 8.878 1.620 1.00 0.00 O ATOM 700 CB GLU A 46 -7.745 10.580 -0.648 1.00 0.00 C ATOM 701 CG GLU A 46 -8.422 11.878 -1.054 1.00 0.00 C ATOM 702 CD GLU A 46 -7.828 12.474 -2.317 1.00 0.00 C ATOM 703 OE1 GLU A 46 -7.448 11.698 -3.217 1.00 0.00 O ATOM 704 OE2 GLU A 46 -7.744 13.717 -2.403 1.00 0.00 O ATOM 0 H GLU A 46 -5.146 10.433 -0.794 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.066 11.587 1.125 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.217 10.170 -1.509 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.508 9.854 -0.367 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.486 11.696 -1.207 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.336 12.599 -0.241 1.00 0.00 H new ATOM 711 N VAL A 47 -7.952 9.103 1.844 1.00 0.00 N ATOM 712 CA VAL A 47 -8.098 7.922 2.685 1.00 0.00 C ATOM 713 C VAL A 47 -8.651 6.745 1.886 1.00 0.00 C ATOM 714 O VAL A 47 -9.461 6.925 0.976 1.00 0.00 O ATOM 715 CB VAL A 47 -9.021 8.199 3.887 1.00 0.00 C ATOM 716 CG1 VAL A 47 -10.419 8.573 3.416 1.00 0.00 C ATOM 717 CG2 VAL A 47 -9.069 6.995 4.816 1.00 0.00 C ATOM 0 H VAL A 47 -8.825 9.595 1.652 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.104 7.669 3.055 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.613 9.042 4.444 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -11.055 8.765 4.280 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -10.367 9.469 2.798 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -10.838 7.753 2.832 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.726 7.211 5.658 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.449 6.130 4.272 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.066 6.779 5.184 1.00 0.00 H new ATOM 727 N GLY A 48 -8.208 5.540 2.233 1.00 0.00 N ATOM 728 CA GLY A 48 -8.670 4.352 1.539 1.00 0.00 C ATOM 729 C GLY A 48 -7.669 3.851 0.517 1.00 0.00 C ATOM 730 O GLY A 48 -7.589 2.651 0.253 1.00 0.00 O ATOM 0 H GLY A 48 -7.538 5.366 2.982 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -8.868 3.564 2.266 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.615 4.570 1.041 1.00 0.00 H new ATOM 734 N ASP A 49 -6.902 4.772 -0.058 1.00 0.00 N ATOM 735 CA ASP A 49 -5.900 4.417 -1.057 1.00 0.00 C ATOM 736 C ASP A 49 -4.557 4.122 -0.397 1.00 0.00 C ATOM 737 O ASP A 49 -4.304 4.538 0.734 1.00 0.00 O ATOM 738 CB ASP A 49 -5.743 5.547 -2.075 1.00 0.00 C ATOM 739 CG ASP A 49 -5.295 5.042 -3.433 1.00 0.00 C ATOM 740 OD1 ASP A 49 -5.656 3.901 -3.790 1.00 0.00 O ATOM 741 OD2 ASP A 49 -4.583 5.787 -4.138 1.00 0.00 O ATOM 0 H ASP A 49 -6.955 5.769 0.151 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.238 3.518 -1.572 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.692 6.072 -2.180 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.018 6.271 -1.702 1.00 0.00 H new ATOM 746 N PHE A 50 -3.699 3.402 -1.112 1.00 0.00 N ATOM 747 CA PHE A 50 -2.380 3.051 -0.598 1.00 0.00 C ATOM 748 C PHE A 50 -1.366 2.937 -1.730 1.00 0.00 C ATOM 749 O PHE A 50 -1.620 2.280 -2.741 1.00 0.00 O ATOM 750 CB PHE A 50 -2.446 1.734 0.177 1.00 0.00 C ATOM 751 CG PHE A 50 -3.320 1.798 1.398 1.00 0.00 C ATOM 752 CD1 PHE A 50 -2.965 2.590 2.478 1.00 0.00 C ATOM 753 CD2 PHE A 50 -4.495 1.068 1.463 1.00 0.00 C ATOM 754 CE1 PHE A 50 -3.767 2.651 3.603 1.00 0.00 C ATOM 755 CE2 PHE A 50 -5.302 1.126 2.584 1.00 0.00 C ATOM 756 CZ PHE A 50 -4.937 1.918 3.655 1.00 0.00 C ATOM 0 H PHE A 50 -3.893 3.050 -2.049 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.057 3.846 0.075 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.817 0.951 -0.484 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.438 1.447 0.477 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.052 3.166 2.441 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -4.784 0.446 0.629 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -3.479 3.271 4.439 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -6.217 0.553 2.622 1.00 0.00 H new ATOM 0 HZ PHE A 50 -5.565 1.964 4.532 1.00 0.00 H new ATOM 766 N GLU A 51 -0.217 3.581 -1.558 1.00 0.00 N ATOM 767 CA GLU A 51 0.836 3.552 -2.566 1.00 0.00 C ATOM 768 C GLU A 51 1.876 2.487 -2.237 1.00 0.00 C ATOM 769 O GLU A 51 2.599 2.596 -1.248 1.00 0.00 O ATOM 770 CB GLU A 51 1.507 4.923 -2.673 1.00 0.00 C ATOM 771 CG GLU A 51 2.023 5.241 -4.067 1.00 0.00 C ATOM 772 CD GLU A 51 2.676 6.607 -4.148 1.00 0.00 C ATOM 773 OE1 GLU A 51 3.698 6.818 -3.462 1.00 0.00 O ATOM 774 OE2 GLU A 51 2.165 7.464 -4.898 1.00 0.00 O ATOM 0 H GLU A 51 0.009 4.130 -0.729 1.00 0.00 H new ATOM 0 HA GLU A 51 0.380 3.303 -3.524 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.794 5.691 -2.375 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.337 4.968 -1.968 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.743 4.480 -4.367 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.196 5.195 -4.776 1.00 0.00 H new ATOM 781 N VAL A 52 1.945 1.457 -3.075 1.00 0.00 N ATOM 782 CA VAL A 52 2.898 0.372 -2.873 1.00 0.00 C ATOM 783 C VAL A 52 4.020 0.428 -3.903 1.00 0.00 C ATOM 784 O VAL A 52 3.774 0.601 -5.096 1.00 0.00 O ATOM 785 CB VAL A 52 2.209 -1.004 -2.956 1.00 0.00 C ATOM 786 CG1 VAL A 52 3.171 -2.108 -2.547 1.00 0.00 C ATOM 787 CG2 VAL A 52 0.959 -1.028 -2.090 1.00 0.00 C ATOM 0 H VAL A 52 1.353 1.351 -3.899 1.00 0.00 H new ATOM 0 HA VAL A 52 3.317 0.501 -1.875 1.00 0.00 H new ATOM 0 HB VAL A 52 1.910 -1.179 -3.990 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.667 -3.072 -2.612 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.034 -2.104 -3.213 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.503 -1.940 -1.522 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.486 -2.007 -2.161 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.231 -0.831 -1.053 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.263 -0.263 -2.434 1.00 0.00 H new ATOM 797 N LYS A 53 5.255 0.280 -3.434 1.00 0.00 N ATOM 798 CA LYS A 53 6.417 0.314 -4.314 1.00 0.00 C ATOM 799 C LYS A 53 7.367 -0.839 -4.007 1.00 0.00 C ATOM 800 O LYS A 53 7.465 -1.288 -2.865 1.00 0.00 O ATOM 801 CB LYS A 53 7.152 1.647 -4.170 1.00 0.00 C ATOM 802 CG LYS A 53 8.100 1.949 -5.321 1.00 0.00 C ATOM 803 CD LYS A 53 7.604 3.113 -6.167 1.00 0.00 C ATOM 804 CE LYS A 53 8.723 4.100 -6.467 1.00 0.00 C ATOM 805 NZ LYS A 53 9.859 3.453 -7.178 1.00 0.00 N ATOM 0 H LYS A 53 5.477 0.135 -2.449 1.00 0.00 H new ATOM 0 HA LYS A 53 6.067 0.208 -5.341 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.419 2.450 -4.094 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.716 1.642 -3.238 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.089 2.181 -4.927 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.206 1.063 -5.947 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.191 2.735 -7.102 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.796 3.625 -5.645 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.333 4.917 -7.074 1.00 0.00 H new ATOM 0 HE3 LYS A 53 9.080 4.538 -5.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.484 4.185 -7.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.395 2.862 -6.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.493 2.859 -7.950 1.00 0.00 H new ATOM 819 N ALA A 54 8.065 -1.314 -5.033 1.00 0.00 N ATOM 820 CA ALA A 54 9.007 -2.416 -4.873 1.00 0.00 C ATOM 821 C ALA A 54 10.375 -2.054 -5.442 1.00 0.00 C ATOM 822 O ALA A 54 10.559 -2.007 -6.659 1.00 0.00 O ATOM 823 CB ALA A 54 8.470 -3.671 -5.542 1.00 0.00 C ATOM 0 H ALA A 54 7.996 -0.953 -5.985 1.00 0.00 H new ATOM 0 HA ALA A 54 9.125 -2.609 -3.807 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.184 -4.485 -5.414 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.519 -3.947 -5.087 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.322 -3.482 -6.605 1.00 0.00 H new ATOM 974 N PHE A 64 2.463 1.971 -7.966 1.00 0.00 N ATOM 975 CA PHE A 64 1.281 1.116 -7.964 1.00 0.00 C ATOM 976 C PHE A 64 0.209 1.672 -7.032 1.00 0.00 C ATOM 977 O PHE A 64 0.519 2.270 -6.001 1.00 0.00 O ATOM 978 CB PHE A 64 1.655 -0.305 -7.540 1.00 0.00 C ATOM 979 CG PHE A 64 0.506 -1.271 -7.600 1.00 0.00 C ATOM 980 CD1 PHE A 64 -0.198 -1.457 -8.778 1.00 0.00 C ATOM 981 CD2 PHE A 64 0.132 -1.992 -6.477 1.00 0.00 C ATOM 982 CE1 PHE A 64 -1.256 -2.346 -8.835 1.00 0.00 C ATOM 983 CE2 PHE A 64 -0.925 -2.882 -6.529 1.00 0.00 C ATOM 984 CZ PHE A 64 -1.619 -3.058 -7.710 1.00 0.00 C ATOM 0 HA PHE A 64 0.879 1.092 -8.977 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.458 -0.668 -8.182 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.046 -0.281 -6.523 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.082 -0.902 -9.661 1.00 0.00 H new ATOM 0 HD2 PHE A 64 0.672 -1.857 -5.551 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.798 -2.483 -9.759 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.207 -3.439 -5.648 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.445 -3.752 -7.753 1.00 0.00 H new ATOM 994 N MET A 65 -1.050 1.470 -7.401 1.00 0.00 N ATOM 995 CA MET A 65 -2.169 1.951 -6.597 1.00 0.00 C ATOM 996 C MET A 65 -2.935 0.787 -5.979 1.00 0.00 C ATOM 997 O MET A 65 -3.483 -0.056 -6.690 1.00 0.00 O ATOM 998 CB MET A 65 -3.111 2.800 -7.453 1.00 0.00 C ATOM 999 CG MET A 65 -3.829 3.887 -6.671 1.00 0.00 C ATOM 1000 SD MET A 65 -4.031 5.407 -7.621 1.00 0.00 S ATOM 1001 CE MET A 65 -5.812 5.600 -7.577 1.00 0.00 C ATOM 0 H MET A 65 -1.323 0.977 -8.251 1.00 0.00 H new ATOM 0 HA MET A 65 -1.767 2.566 -5.792 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.540 3.261 -8.259 1.00 0.00 H new ATOM 0 HB3 MET A 65 -3.851 2.149 -7.918 1.00 0.00 H new ATOM 0 HG2 MET A 65 -4.809 3.522 -6.364 1.00 0.00 H new ATOM 0 HG3 MET A 65 -3.270 4.104 -5.760 1.00 0.00 H new ATOM 0 HE1 MET A 65 -6.093 6.509 -8.109 1.00 0.00 H new ATOM 0 HE2 MET A 65 -6.283 4.740 -8.054 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.145 5.668 -6.541 1.00 0.00 H new ATOM 1011 N LEU A 66 -2.970 0.746 -4.651 1.00 0.00 N ATOM 1012 CA LEU A 66 -3.670 -0.315 -3.936 1.00 0.00 C ATOM 1013 C LEU A 66 -4.943 0.215 -3.284 1.00 0.00 C ATOM 1014 O LEU A 66 -4.890 1.074 -2.404 1.00 0.00 O ATOM 1015 CB LEU A 66 -2.757 -0.932 -2.875 1.00 0.00 C ATOM 1016 CG LEU A 66 -3.277 -2.226 -2.246 1.00 0.00 C ATOM 1017 CD1 LEU A 66 -3.438 -3.305 -3.305 1.00 0.00 C ATOM 1018 CD2 LEU A 66 -2.341 -2.695 -1.143 1.00 0.00 C ATOM 0 H LEU A 66 -2.522 1.436 -4.048 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.947 -1.083 -4.658 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.784 -1.130 -3.325 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.598 -0.199 -2.084 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.254 -2.028 -1.806 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.809 -4.219 -2.840 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.147 -2.969 -4.062 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.474 -3.502 -3.773 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.726 -3.617 -0.706 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.350 -2.877 -1.559 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.275 -1.928 -0.371 1.00 0.00 H new ATOM 1030 N HIS A 67 -6.086 -0.302 -3.724 1.00 0.00 N ATOM 1031 CA HIS A 67 -7.373 0.119 -3.182 1.00 0.00 C ATOM 1032 C HIS A 67 -7.779 -0.756 -2.002 1.00 0.00 C ATOM 1033 O HIS A 67 -7.404 -1.926 -1.926 1.00 0.00 O ATOM 1034 CB HIS A 67 -8.448 0.064 -4.269 1.00 0.00 C ATOM 1035 CG HIS A 67 -8.259 1.081 -5.351 1.00 0.00 C ATOM 1036 ND1 HIS A 67 -7.049 1.301 -5.974 1.00 0.00 N ATOM 1037 CD2 HIS A 67 -9.135 1.942 -5.921 1.00 0.00 C ATOM 1038 CE1 HIS A 67 -7.188 2.254 -6.878 1.00 0.00 C ATOM 1039 NE2 HIS A 67 -8.445 2.658 -6.867 1.00 0.00 N ATOM 0 H HIS A 67 -6.147 -1.012 -4.453 1.00 0.00 H new ATOM 0 HA HIS A 67 -7.274 1.146 -2.830 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -8.452 -0.931 -4.714 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -9.425 0.212 -3.810 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -10.182 2.046 -5.677 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -6.407 2.637 -7.517 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -8.839 3.384 -7.465 1.00 0.00 H new ATOM 1048 N TYR A 68 -8.550 -0.182 -1.083 1.00 0.00 N ATOM 1049 CA TYR A 68 -9.007 -0.911 0.093 1.00 0.00 C ATOM 1050 C TYR A 68 -10.123 -1.886 -0.267 1.00 0.00 C ATOM 1051 O TYR A 68 -10.264 -2.940 0.350 1.00 0.00 O ATOM 1052 CB TYR A 68 -9.495 0.065 1.166 1.00 0.00 C ATOM 1053 CG TYR A 68 -9.660 -0.567 2.530 1.00 0.00 C ATOM 1054 CD1 TYR A 68 -8.565 -1.065 3.223 1.00 0.00 C ATOM 1055 CD2 TYR A 68 -10.913 -0.666 3.123 1.00 0.00 C ATOM 1056 CE1 TYR A 68 -8.711 -1.644 4.470 1.00 0.00 C ATOM 1057 CE2 TYR A 68 -11.068 -1.243 4.370 1.00 0.00 C ATOM 1058 CZ TYR A 68 -9.965 -1.730 5.038 1.00 0.00 C ATOM 1059 OH TYR A 68 -10.116 -2.305 6.279 1.00 0.00 O ATOM 0 H TYR A 68 -8.871 0.785 -1.131 1.00 0.00 H new ATOM 0 HA TYR A 68 -8.164 -1.481 0.484 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -8.789 0.892 1.241 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -10.450 0.488 0.853 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -7.582 -0.999 2.780 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -11.779 -0.286 2.602 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -7.849 -2.026 4.996 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -12.048 -1.312 4.818 1.00 0.00 H new ATOM 0 HH TYR A 68 -9.844 -1.666 6.971 1.00 0.00 H new ATOM 1069 N GLN A 69 -10.914 -1.525 -1.274 1.00 0.00 N ATOM 1070 CA GLN A 69 -12.018 -2.369 -1.717 1.00 0.00 C ATOM 1071 C GLN A 69 -11.508 -3.727 -2.190 1.00 0.00 C ATOM 1072 O GLN A 69 -12.151 -4.753 -1.969 1.00 0.00 O ATOM 1073 CB GLN A 69 -12.792 -1.682 -2.843 1.00 0.00 C ATOM 1074 CG GLN A 69 -13.554 -0.446 -2.391 1.00 0.00 C ATOM 1075 CD GLN A 69 -14.728 -0.780 -1.491 1.00 0.00 C ATOM 1076 OE1 GLN A 69 -15.863 -0.899 -1.952 1.00 0.00 O ATOM 1077 NE2 GLN A 69 -14.460 -0.934 -0.200 1.00 0.00 N ATOM 0 H GLN A 69 -10.811 -0.655 -1.797 1.00 0.00 H new ATOM 0 HA GLN A 69 -12.686 -2.526 -0.870 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -12.095 -1.401 -3.633 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -13.495 -2.394 -3.277 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -12.874 0.222 -1.862 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -13.914 0.094 -3.266 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -13.504 -0.826 0.139 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -15.210 -1.160 0.453 1.00 0.00 H new ATOM 1086 N ASP A 70 -10.350 -3.724 -2.842 1.00 0.00 N ATOM 1087 CA ASP A 70 -9.753 -4.956 -3.345 1.00 0.00 C ATOM 1088 C ASP A 70 -9.469 -5.928 -2.204 1.00 0.00 C ATOM 1089 O ASP A 70 -9.666 -7.135 -2.341 1.00 0.00 O ATOM 1090 CB ASP A 70 -8.461 -4.648 -4.104 1.00 0.00 C ATOM 1091 CG ASP A 70 -8.645 -4.711 -5.608 1.00 0.00 C ATOM 1092 OD1 ASP A 70 -9.402 -5.587 -6.078 1.00 0.00 O ATOM 1093 OD2 ASP A 70 -8.034 -3.883 -6.317 1.00 0.00 O ATOM 0 H ASP A 70 -9.806 -2.883 -3.034 1.00 0.00 H new ATOM 0 HA ASP A 70 -10.463 -5.423 -4.027 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -8.107 -3.656 -3.825 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -7.689 -5.357 -3.805 1.00 0.00 H new ATOM 1098 N LEU A 71 -9.007 -5.393 -1.079 1.00 0.00 N ATOM 1099 CA LEU A 71 -8.696 -6.212 0.087 1.00 0.00 C ATOM 1100 C LEU A 71 -9.956 -6.867 0.643 1.00 0.00 C ATOM 1101 O LEU A 71 -9.940 -8.034 1.034 1.00 0.00 O ATOM 1102 CB LEU A 71 -8.028 -5.362 1.169 1.00 0.00 C ATOM 1103 CG LEU A 71 -6.828 -4.540 0.698 1.00 0.00 C ATOM 1104 CD1 LEU A 71 -6.550 -3.400 1.666 1.00 0.00 C ATOM 1105 CD2 LEU A 71 -5.601 -5.427 0.548 1.00 0.00 C ATOM 0 H LEU A 71 -8.840 -4.395 -0.950 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.008 -6.998 -0.224 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.772 -4.684 1.587 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.705 -6.018 1.977 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.063 -4.112 -0.277 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.693 -2.826 1.315 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.423 -2.750 1.723 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.335 -3.806 2.654 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.756 -4.826 0.212 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.362 -5.883 1.509 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.804 -6.208 -0.184 1.00 0.00 H new ATOM 1117 N LEU A 72 -11.046 -6.108 0.674 1.00 0.00 N ATOM 1118 CA LEU A 72 -12.315 -6.615 1.182 1.00 0.00 C ATOM 1119 C LEU A 72 -13.000 -7.506 0.150 1.00 0.00 C ATOM 1120 O LEU A 72 -13.726 -8.436 0.503 1.00 0.00 O ATOM 1121 CB LEU A 72 -13.237 -5.454 1.561 1.00 0.00 C ATOM 1122 CG LEU A 72 -12.671 -4.495 2.610 1.00 0.00 C ATOM 1123 CD1 LEU A 72 -13.468 -3.200 2.636 1.00 0.00 C ATOM 1124 CD2 LEU A 72 -12.671 -5.150 3.983 1.00 0.00 C ATOM 0 H LEU A 72 -11.076 -5.140 0.354 1.00 0.00 H new ATOM 0 HA LEU A 72 -12.108 -7.212 2.070 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -13.471 -4.886 0.660 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -14.177 -5.862 1.933 1.00 0.00 H new ATOM 0 HG LEU A 72 -11.642 -4.258 2.341 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -13.050 -2.531 3.388 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -13.418 -2.722 1.658 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -14.508 -3.417 2.881 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -12.265 -4.455 4.718 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -13.691 -5.416 4.259 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -12.056 -6.050 3.957 1.00 0.00 H new ATOM 1136 N GLN A 73 -12.762 -7.216 -1.125 1.00 0.00 N ATOM 1137 CA GLN A 73 -13.356 -7.991 -2.208 1.00 0.00 C ATOM 1138 C GLN A 73 -12.949 -9.459 -2.115 1.00 0.00 C ATOM 1139 O GLN A 73 -13.706 -10.350 -2.504 1.00 0.00 O ATOM 1140 CB GLN A 73 -12.935 -7.419 -3.563 1.00 0.00 C ATOM 1141 CG GLN A 73 -14.037 -7.459 -4.610 1.00 0.00 C ATOM 1142 CD GLN A 73 -13.972 -8.702 -5.475 1.00 0.00 C ATOM 1143 OE1 GLN A 73 -13.239 -9.645 -5.175 1.00 0.00 O ATOM 1144 NE2 GLN A 73 -14.741 -8.710 -6.558 1.00 0.00 N ATOM 0 H GLN A 73 -12.162 -6.451 -1.433 1.00 0.00 H new ATOM 0 HA GLN A 73 -14.440 -7.926 -2.114 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -12.611 -6.387 -3.428 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -12.074 -7.977 -3.932 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -15.007 -7.416 -4.114 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -13.964 -6.575 -5.244 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -15.333 -7.907 -6.769 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -14.739 -9.519 -7.179 1.00 0.00 H new ATOM 1153 N LEU A 74 -11.751 -9.705 -1.597 1.00 0.00 N ATOM 1154 CA LEU A 74 -11.244 -11.065 -1.452 1.00 0.00 C ATOM 1155 C LEU A 74 -11.905 -11.768 -0.270 1.00 0.00 C ATOM 1156 O LEU A 74 -12.324 -12.921 -0.377 1.00 0.00 O ATOM 1157 CB LEU A 74 -9.726 -11.050 -1.267 1.00 0.00 C ATOM 1158 CG LEU A 74 -8.942 -10.390 -2.402 1.00 0.00 C ATOM 1159 CD1 LEU A 74 -7.581 -9.923 -1.909 1.00 0.00 C ATOM 1160 CD2 LEU A 74 -8.787 -11.353 -3.570 1.00 0.00 C ATOM 0 H LEU A 74 -11.112 -8.980 -1.270 1.00 0.00 H new ATOM 0 HA LEU A 74 -11.486 -11.615 -2.361 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -9.494 -10.532 -0.336 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -9.379 -12.077 -1.155 1.00 0.00 H new ATOM 0 HG LEU A 74 -9.499 -9.518 -2.746 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -7.037 -9.456 -2.730 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.714 -9.200 -1.104 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -7.015 -10.778 -1.539 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -8.227 -10.868 -4.369 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -8.251 -12.243 -3.239 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -9.772 -11.639 -3.939 1.00 0.00 H new ATOM 1172 N GLN A 75 -11.995 -11.065 0.854 1.00 0.00 N ATOM 1173 CA GLN A 75 -12.605 -11.623 2.056 1.00 0.00 C ATOM 1174 C GLN A 75 -14.076 -11.952 1.817 1.00 0.00 C ATOM 1175 O GLN A 75 -14.614 -12.894 2.398 1.00 0.00 O ATOM 1176 CB GLN A 75 -12.469 -10.642 3.224 1.00 0.00 C ATOM 1177 CG GLN A 75 -11.664 -11.193 4.389 1.00 0.00 C ATOM 1178 CD GLN A 75 -12.275 -10.848 5.734 1.00 0.00 C ATOM 1179 OE1 GLN A 75 -13.484 -10.971 5.930 1.00 0.00 O ATOM 1180 NE2 GLN A 75 -11.438 -10.413 6.669 1.00 0.00 N ATOM 0 H GLN A 75 -11.654 -10.109 0.958 1.00 0.00 H new ATOM 0 HA GLN A 75 -12.082 -12.547 2.305 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.996 -9.727 2.866 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -13.464 -10.370 3.577 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -11.590 -12.276 4.295 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -10.649 -10.799 4.343 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -10.443 -10.327 6.462 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -11.790 -10.165 7.594 1.00 0.00 H new ATOM 1189 N TYR A 76 -14.720 -11.170 0.957 1.00 0.00 N ATOM 1190 CA TYR A 76 -16.128 -11.377 0.640 1.00 0.00 C ATOM 1191 C TYR A 76 -16.320 -12.650 -0.177 1.00 0.00 C ATOM 1192 O TYR A 76 -17.205 -13.456 0.109 1.00 0.00 O ATOM 1193 CB TYR A 76 -16.683 -10.176 -0.128 1.00 0.00 C ATOM 1194 CG TYR A 76 -18.185 -10.203 -0.289 1.00 0.00 C ATOM 1195 CD1 TYR A 76 -19.024 -10.135 0.816 1.00 0.00 C ATOM 1196 CD2 TYR A 76 -18.766 -10.294 -1.548 1.00 0.00 C ATOM 1197 CE1 TYR A 76 -20.398 -10.159 0.673 1.00 0.00 C ATOM 1198 CE2 TYR A 76 -20.139 -10.319 -1.700 1.00 0.00 C ATOM 1199 CZ TYR A 76 -20.951 -10.251 -0.587 1.00 0.00 C ATOM 1200 OH TYR A 76 -22.319 -10.275 -0.735 1.00 0.00 O ATOM 0 H TYR A 76 -14.289 -10.386 0.467 1.00 0.00 H new ATOM 0 HA TYR A 76 -16.673 -11.482 1.578 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -16.398 -9.261 0.390 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -16.221 -10.141 -1.114 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -18.595 -10.062 1.804 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -18.134 -10.346 -2.422 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -21.035 -10.106 1.543 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -20.574 -10.391 -2.686 1.00 0.00 H new ATOM 0 HH TYR A 76 -22.544 -10.341 -1.687 1.00 0.00 H new ATOM 1210 N GLU A 77 -15.484 -12.825 -1.196 1.00 0.00 N ATOM 1211 CA GLU A 77 -15.561 -14.001 -2.055 1.00 0.00 C ATOM 1212 C GLU A 77 -15.106 -15.251 -1.309 1.00 0.00 C ATOM 1213 O GLU A 77 -15.906 -16.141 -1.022 1.00 0.00 O ATOM 1214 CB GLU A 77 -14.707 -13.800 -3.308 1.00 0.00 C ATOM 1215 CG GLU A 77 -15.445 -13.111 -4.444 1.00 0.00 C ATOM 1216 CD GLU A 77 -15.184 -13.761 -5.789 1.00 0.00 C ATOM 1217 OE1 GLU A 77 -14.017 -14.113 -6.061 1.00 0.00 O ATOM 1218 OE2 GLU A 77 -16.147 -13.919 -6.569 1.00 0.00 O ATOM 0 H GLU A 77 -14.746 -12.167 -1.447 1.00 0.00 H new ATOM 0 HA GLU A 77 -16.601 -14.136 -2.351 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -13.828 -13.211 -3.047 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -14.350 -14.770 -3.654 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -16.515 -13.126 -4.239 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -15.144 -12.064 -4.486 1.00 0.00 H new ATOM 1225 N GLY A 78 -13.815 -15.312 -1.000 1.00 0.00 N ATOM 1226 CA GLY A 78 -13.276 -16.457 -0.290 1.00 0.00 C ATOM 1227 C GLY A 78 -11.812 -16.698 -0.605 1.00 0.00 C ATOM 1228 O GLY A 78 -11.403 -17.833 -0.852 1.00 0.00 O ATOM 0 H GLY A 78 -13.133 -14.589 -1.229 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -13.393 -16.304 0.783 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -13.851 -17.346 -0.550 1.00 0.00 H new ATOM 1232 N VAL A 79 -11.023 -15.629 -0.596 1.00 0.00 N ATOM 1233 CA VAL A 79 -9.597 -15.730 -0.882 1.00 0.00 C ATOM 1234 C VAL A 79 -8.765 -15.184 0.272 1.00 0.00 C ATOM 1235 O VAL A 79 -8.875 -14.012 0.631 1.00 0.00 O ATOM 1236 CB VAL A 79 -9.227 -14.970 -2.170 1.00 0.00 C ATOM 1237 CG1 VAL A 79 -7.785 -15.251 -2.561 1.00 0.00 C ATOM 1238 CG2 VAL A 79 -10.176 -15.339 -3.299 1.00 0.00 C ATOM 0 H VAL A 79 -11.347 -14.683 -0.394 1.00 0.00 H new ATOM 0 HA VAL A 79 -9.376 -16.789 -1.017 1.00 0.00 H new ATOM 0 HB VAL A 79 -9.325 -13.901 -1.980 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.542 -14.705 -3.473 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.121 -14.930 -1.758 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.656 -16.320 -2.732 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -9.899 -14.792 -4.200 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -10.114 -16.410 -3.491 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -11.196 -15.079 -3.016 1.00 0.00 H new ATOM 1248 N ALA A 80 -7.930 -16.041 0.851 1.00 0.00 N ATOM 1249 CA ALA A 80 -7.079 -15.645 1.965 1.00 0.00 C ATOM 1250 C ALA A 80 -5.763 -15.057 1.468 1.00 0.00 C ATOM 1251 O ALA A 80 -5.180 -14.183 2.109 1.00 0.00 O ATOM 1252 CB ALA A 80 -6.816 -16.835 2.877 1.00 0.00 C ATOM 0 H ALA A 80 -7.825 -17.015 0.566 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.600 -14.874 2.532 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.179 -16.525 3.705 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.762 -17.210 3.268 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.319 -17.623 2.312 1.00 0.00 H new ATOM 1258 N VAL A 81 -5.301 -15.542 0.319 1.00 0.00 N ATOM 1259 CA VAL A 81 -4.055 -15.065 -0.266 1.00 0.00 C ATOM 1260 C VAL A 81 -4.317 -14.003 -1.329 1.00 0.00 C ATOM 1261 O VAL A 81 -5.386 -13.971 -1.938 1.00 0.00 O ATOM 1262 CB VAL A 81 -3.252 -16.218 -0.897 1.00 0.00 C ATOM 1263 CG1 VAL A 81 -1.872 -15.739 -1.320 1.00 0.00 C ATOM 1264 CG2 VAL A 81 -3.145 -17.386 0.070 1.00 0.00 C ATOM 0 H VAL A 81 -5.772 -16.265 -0.224 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.473 -14.628 0.545 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.781 -16.560 -1.787 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.319 -16.567 -1.764 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.974 -14.937 -2.052 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.332 -15.368 -0.448 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.574 -18.191 -0.393 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.640 -17.060 0.980 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.144 -17.746 0.318 1.00 0.00 H new ATOM 1274 N MET A 82 -3.334 -13.136 -1.546 1.00 0.00 N ATOM 1275 CA MET A 82 -3.457 -12.072 -2.536 1.00 0.00 C ATOM 1276 C MET A 82 -2.349 -12.170 -3.579 1.00 0.00 C ATOM 1277 O MET A 82 -1.395 -12.931 -3.415 1.00 0.00 O ATOM 1278 CB MET A 82 -3.413 -10.703 -1.854 1.00 0.00 C ATOM 1279 CG MET A 82 -4.115 -9.609 -2.641 1.00 0.00 C ATOM 1280 SD MET A 82 -4.677 -8.252 -1.594 1.00 0.00 S ATOM 1281 CE MET A 82 -3.324 -7.094 -1.784 1.00 0.00 C ATOM 0 H MET A 82 -2.443 -13.149 -1.050 1.00 0.00 H new ATOM 0 HA MET A 82 -4.417 -12.187 -3.039 1.00 0.00 H new ATOM 0 HB2 MET A 82 -3.872 -10.782 -0.869 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.373 -10.417 -1.699 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.436 -9.220 -3.400 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.970 -10.036 -3.166 1.00 0.00 H new ATOM 0 HE1 MET A 82 -3.620 -6.121 -1.391 1.00 0.00 H new ATOM 0 HE2 MET A 82 -2.455 -7.457 -1.236 1.00 0.00 H new ATOM 0 HE3 MET A 82 -3.073 -6.998 -2.840 1.00 0.00 H new ATOM 1291 N LYS A 83 -2.481 -11.395 -4.651 1.00 0.00 N ATOM 1292 CA LYS A 83 -1.489 -11.395 -5.720 1.00 0.00 C ATOM 1293 C LYS A 83 -0.991 -9.982 -6.002 1.00 0.00 C ATOM 1294 O LYS A 83 -1.706 -9.165 -6.586 1.00 0.00 O ATOM 1295 CB LYS A 83 -2.081 -12.003 -6.994 1.00 0.00 C ATOM 1296 CG LYS A 83 -1.044 -12.308 -8.062 1.00 0.00 C ATOM 1297 CD LYS A 83 -0.294 -13.596 -7.759 1.00 0.00 C ATOM 1298 CE LYS A 83 -0.837 -14.761 -8.570 1.00 0.00 C ATOM 1299 NZ LYS A 83 0.013 -15.054 -9.758 1.00 0.00 N ATOM 0 H LYS A 83 -3.264 -10.760 -4.802 1.00 0.00 H new ATOM 0 HA LYS A 83 -0.643 -12.000 -5.395 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -2.607 -12.923 -6.737 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.821 -11.316 -7.404 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -1.533 -12.390 -9.033 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.337 -11.481 -8.131 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.765 -13.461 -7.978 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -0.374 -13.823 -6.696 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.896 -15.647 -7.938 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -1.852 -14.534 -8.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -0.266 -15.968 -10.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -0.112 -14.304 -10.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 1.011 -15.095 -9.469 1.00 0.00 H new ATOM 1313 N LEU A 84 0.238 -9.698 -5.585 1.00 0.00 N ATOM 1314 CA LEU A 84 0.833 -8.383 -5.793 1.00 0.00 C ATOM 1315 C LEU A 84 1.990 -8.459 -6.783 1.00 0.00 C ATOM 1316 O LEU A 84 2.909 -9.263 -6.620 1.00 0.00 O ATOM 1317 CB LEU A 84 1.322 -7.805 -4.463 1.00 0.00 C ATOM 1318 CG LEU A 84 0.238 -7.161 -3.599 1.00 0.00 C ATOM 1319 CD1 LEU A 84 0.773 -6.857 -2.208 1.00 0.00 C ATOM 1320 CD2 LEU A 84 -0.285 -5.893 -4.259 1.00 0.00 C ATOM 0 H LEU A 84 0.842 -10.362 -5.100 1.00 0.00 H new ATOM 0 HA LEU A 84 0.067 -7.727 -6.207 1.00 0.00 H new ATOM 0 HB2 LEU A 84 1.796 -8.602 -3.890 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.091 -7.060 -4.669 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.588 -7.865 -3.502 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.013 -6.399 -1.608 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.099 -7.782 -1.733 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.617 -6.171 -2.285 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.056 -5.447 -3.631 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.534 -5.185 -4.386 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.708 -6.138 -5.233 1.00 0.00 H new ATOM 1332 N PHE A 85 1.939 -7.618 -7.810 1.00 0.00 N ATOM 1333 CA PHE A 85 2.983 -7.589 -8.828 1.00 0.00 C ATOM 1334 C PHE A 85 3.092 -8.934 -9.542 1.00 0.00 C ATOM 1335 O PHE A 85 4.144 -9.276 -10.082 1.00 0.00 O ATOM 1336 CB PHE A 85 4.328 -7.223 -8.198 1.00 0.00 C ATOM 1337 CG PHE A 85 4.350 -5.851 -7.584 1.00 0.00 C ATOM 1338 CD1 PHE A 85 4.240 -4.721 -8.379 1.00 0.00 C ATOM 1339 CD2 PHE A 85 4.480 -5.694 -6.214 1.00 0.00 C ATOM 1340 CE1 PHE A 85 4.261 -3.459 -7.817 1.00 0.00 C ATOM 1341 CE2 PHE A 85 4.501 -4.433 -5.647 1.00 0.00 C ATOM 1342 CZ PHE A 85 4.391 -3.315 -6.449 1.00 0.00 C ATOM 0 H PHE A 85 1.186 -6.947 -7.960 1.00 0.00 H new ATOM 0 HA PHE A 85 2.714 -6.831 -9.564 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.574 -7.959 -7.432 1.00 0.00 H new ATOM 0 HB3 PHE A 85 5.105 -7.284 -8.960 1.00 0.00 H new ATOM 0 HD1 PHE A 85 4.137 -4.828 -9.449 1.00 0.00 H new ATOM 0 HD2 PHE A 85 4.566 -6.566 -5.582 1.00 0.00 H new ATOM 0 HE1 PHE A 85 4.176 -2.586 -8.447 1.00 0.00 H new ATOM 0 HE2 PHE A 85 4.603 -4.323 -4.578 1.00 0.00 H new ATOM 0 HZ PHE A 85 4.407 -2.329 -6.008 1.00 0.00 H new ATOM 1352 N ASP A 86 1.999 -9.692 -9.542 1.00 0.00 N ATOM 1353 CA ASP A 86 1.974 -10.999 -10.193 1.00 0.00 C ATOM 1354 C ASP A 86 3.078 -11.902 -9.653 1.00 0.00 C ATOM 1355 O ASP A 86 3.641 -12.716 -10.387 1.00 0.00 O ATOM 1356 CB ASP A 86 2.123 -10.840 -11.707 1.00 0.00 C ATOM 1357 CG ASP A 86 0.790 -10.658 -12.404 1.00 0.00 C ATOM 1358 OD1 ASP A 86 -0.032 -11.597 -12.369 1.00 0.00 O ATOM 1359 OD2 ASP A 86 0.567 -9.575 -12.986 1.00 0.00 O ATOM 0 H ASP A 86 1.120 -9.424 -9.099 1.00 0.00 H new ATOM 0 HA ASP A 86 1.013 -11.465 -9.975 1.00 0.00 H new ATOM 0 HB2 ASP A 86 2.760 -9.981 -11.918 1.00 0.00 H new ATOM 0 HB3 ASP A 86 2.626 -11.718 -12.114 1.00 0.00 H new ATOM 1364 N ARG A 87 3.385 -11.754 -8.368 1.00 0.00 N ATOM 1365 CA ARG A 87 4.423 -12.557 -7.733 1.00 0.00 C ATOM 1366 C ARG A 87 4.267 -12.548 -6.215 1.00 0.00 C ATOM 1367 O ARG A 87 4.016 -13.584 -5.600 1.00 0.00 O ATOM 1368 CB ARG A 87 5.808 -12.034 -8.118 1.00 0.00 C ATOM 1369 CG ARG A 87 6.404 -12.726 -9.335 1.00 0.00 C ATOM 1370 CD ARG A 87 6.800 -11.725 -10.409 1.00 0.00 C ATOM 1371 NE ARG A 87 6.621 -12.266 -11.755 1.00 0.00 N ATOM 1372 CZ ARG A 87 7.503 -13.059 -12.360 1.00 0.00 C ATOM 1373 NH1 ARG A 87 8.623 -13.412 -11.742 1.00 0.00 N ATOM 1374 NH2 ARG A 87 7.263 -13.503 -13.586 1.00 0.00 N ATOM 0 H ARG A 87 2.930 -11.085 -7.747 1.00 0.00 H new ATOM 0 HA ARG A 87 4.319 -13.584 -8.084 1.00 0.00 H new ATOM 0 HB2 ARG A 87 5.741 -10.964 -8.315 1.00 0.00 H new ATOM 0 HB3 ARG A 87 6.483 -12.161 -7.272 1.00 0.00 H new ATOM 0 HG2 ARG A 87 7.278 -13.303 -9.034 1.00 0.00 H new ATOM 0 HG3 ARG A 87 5.681 -13.432 -9.743 1.00 0.00 H new ATOM 0 HD2 ARG A 87 6.202 -10.820 -10.299 1.00 0.00 H new ATOM 0 HD3 ARG A 87 7.842 -11.437 -10.270 1.00 0.00 H new ATOM 0 HE ARG A 87 5.770 -12.021 -12.261 1.00 0.00 H new ATOM 0 HH11 ARG A 87 8.812 -13.076 -10.798 1.00 0.00 H new ATOM 0 HH12 ARG A 87 9.295 -14.020 -12.211 1.00 0.00 H new ATOM 0 HH21 ARG A 87 6.403 -13.237 -14.065 1.00 0.00 H new ATOM 0 HH22 ARG A 87 7.938 -14.110 -14.050 1.00 0.00 H new ATOM 1388 N ALA A 88 4.416 -11.371 -5.618 1.00 0.00 N ATOM 1389 CA ALA A 88 4.293 -11.225 -4.173 1.00 0.00 C ATOM 1390 C ALA A 88 2.917 -11.671 -3.689 1.00 0.00 C ATOM 1391 O ALA A 88 1.892 -11.194 -4.176 1.00 0.00 O ATOM 1392 CB ALA A 88 4.556 -9.783 -3.764 1.00 0.00 C ATOM 0 H ALA A 88 4.622 -10.503 -6.113 1.00 0.00 H new ATOM 0 HA ALA A 88 5.039 -11.867 -3.704 1.00 0.00 H new ATOM 0 HB1 ALA A 88 4.461 -9.688 -2.682 1.00 0.00 H new ATOM 0 HB2 ALA A 88 5.564 -9.497 -4.066 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.832 -9.129 -4.250 1.00 0.00 H new ATOM 1398 N LYS A 89 2.903 -12.589 -2.728 1.00 0.00 N ATOM 1399 CA LYS A 89 1.653 -13.100 -2.176 1.00 0.00 C ATOM 1400 C LYS A 89 1.534 -12.761 -0.694 1.00 0.00 C ATOM 1401 O LYS A 89 2.248 -13.319 0.140 1.00 0.00 O ATOM 1402 CB LYS A 89 1.564 -14.614 -2.373 1.00 0.00 C ATOM 1403 CG LYS A 89 1.044 -15.021 -3.742 1.00 0.00 C ATOM 1404 CD LYS A 89 0.755 -16.512 -3.809 1.00 0.00 C ATOM 1405 CE LYS A 89 1.867 -17.264 -4.522 1.00 0.00 C ATOM 1406 NZ LYS A 89 1.372 -18.513 -5.162 1.00 0.00 N ATOM 0 H LYS A 89 3.743 -12.994 -2.315 1.00 0.00 H new ATOM 0 HA LYS A 89 0.829 -12.623 -2.707 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.552 -15.050 -2.225 1.00 0.00 H new ATOM 0 HB3 LYS A 89 0.912 -15.034 -1.607 1.00 0.00 H new ATOM 0 HG2 LYS A 89 0.135 -14.463 -3.968 1.00 0.00 H new ATOM 0 HG3 LYS A 89 1.777 -14.757 -4.504 1.00 0.00 H new ATOM 0 HD2 LYS A 89 0.637 -16.906 -2.800 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -0.189 -16.678 -4.329 1.00 0.00 H new ATOM 0 HE2 LYS A 89 2.312 -16.620 -5.280 1.00 0.00 H new ATOM 0 HE3 LYS A 89 2.654 -17.509 -3.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 2.161 -18.996 -5.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 0.970 -19.139 -4.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 0.639 -18.278 -5.861 1.00 0.00 H new ATOM 1420 N VAL A 90 0.632 -11.841 -0.373 1.00 0.00 N ATOM 1421 CA VAL A 90 0.421 -11.425 1.008 1.00 0.00 C ATOM 1422 C VAL A 90 -0.921 -11.920 1.533 1.00 0.00 C ATOM 1423 O VAL A 90 -1.841 -12.192 0.761 1.00 0.00 O ATOM 1424 CB VAL A 90 0.479 -9.892 1.150 1.00 0.00 C ATOM 1425 CG1 VAL A 90 0.472 -9.490 2.616 1.00 0.00 C ATOM 1426 CG2 VAL A 90 1.705 -9.333 0.440 1.00 0.00 C ATOM 0 H VAL A 90 0.034 -11.368 -1.051 1.00 0.00 H new ATOM 0 HA VAL A 90 1.225 -11.868 1.596 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.408 -9.469 0.678 1.00 0.00 H new ATOM 0 HG11 VAL A 90 0.513 -8.404 2.696 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.440 -9.854 3.089 1.00 0.00 H new ATOM 0 HG13 VAL A 90 1.338 -9.924 3.116 1.00 0.00 H new ATOM 0 HG21 VAL A 90 1.728 -8.249 0.552 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.606 -9.762 0.878 1.00 0.00 H new ATOM 0 HG23 VAL A 90 1.660 -9.587 -0.619 1.00 0.00 H new ATOM 1436 N ASN A 91 -1.029 -12.037 2.853 1.00 0.00 N ATOM 1437 CA ASN A 91 -2.259 -12.498 3.483 1.00 0.00 C ATOM 1438 C ASN A 91 -3.270 -11.361 3.600 1.00 0.00 C ATOM 1439 O ASN A 91 -2.999 -10.341 4.232 1.00 0.00 O ATOM 1440 CB ASN A 91 -1.963 -13.078 4.867 1.00 0.00 C ATOM 1441 CG ASN A 91 -3.158 -13.794 5.464 1.00 0.00 C ATOM 1442 OD1 ASN A 91 -4.036 -14.266 4.742 1.00 0.00 O ATOM 1443 ND2 ASN A 91 -3.197 -13.878 6.788 1.00 0.00 N ATOM 0 H ASN A 91 -0.277 -11.818 3.507 1.00 0.00 H new ATOM 0 HA ASN A 91 -2.688 -13.279 2.855 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -1.126 -13.773 4.795 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -1.654 -12.275 5.536 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -3.977 -14.349 7.246 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -2.447 -13.472 7.347 1.00 0.00 H new ATOM 1450 N VAL A 92 -4.433 -11.544 2.986 1.00 0.00 N ATOM 1451 CA VAL A 92 -5.483 -10.533 3.021 1.00 0.00 C ATOM 1452 C VAL A 92 -6.085 -10.409 4.418 1.00 0.00 C ATOM 1453 O VAL A 92 -6.581 -9.349 4.798 1.00 0.00 O ATOM 1454 CB VAL A 92 -6.607 -10.855 2.017 1.00 0.00 C ATOM 1455 CG1 VAL A 92 -7.614 -9.717 1.956 1.00 0.00 C ATOM 1456 CG2 VAL A 92 -6.029 -11.139 0.639 1.00 0.00 C ATOM 0 H VAL A 92 -4.673 -12.383 2.458 1.00 0.00 H new ATOM 0 HA VAL A 92 -5.018 -9.587 2.745 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.126 -11.750 2.359 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -8.399 -9.964 1.242 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -8.054 -9.567 2.942 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -7.111 -8.803 1.641 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.838 -11.364 -0.056 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.481 -10.265 0.287 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.353 -11.992 0.697 1.00 0.00 H new ATOM 1466 N ASN A 93 -6.038 -11.499 5.176 1.00 0.00 N ATOM 1467 CA ASN A 93 -6.580 -11.512 6.530 1.00 0.00 C ATOM 1468 C ASN A 93 -5.679 -10.740 7.491 1.00 0.00 C ATOM 1469 O ASN A 93 -6.148 -10.186 8.485 1.00 0.00 O ATOM 1470 CB ASN A 93 -6.754 -12.953 7.017 1.00 0.00 C ATOM 1471 CG ASN A 93 -8.208 -13.314 7.254 1.00 0.00 C ATOM 1472 OD1 ASN A 93 -8.748 -13.082 8.336 1.00 0.00 O ATOM 1473 ND2 ASN A 93 -8.849 -13.884 6.241 1.00 0.00 N ATOM 0 H ASN A 93 -5.630 -12.385 4.876 1.00 0.00 H new ATOM 0 HA ASN A 93 -7.554 -11.022 6.508 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -6.329 -13.636 6.281 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -6.193 -13.091 7.941 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -9.829 -14.148 6.342 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -8.362 -14.057 5.362 1.00 0.00 H new ATOM 1480 N LEU A 94 -4.384 -10.712 7.191 1.00 0.00 N ATOM 1481 CA LEU A 94 -3.421 -10.012 8.033 1.00 0.00 C ATOM 1482 C LEU A 94 -3.048 -8.658 7.434 1.00 0.00 C ATOM 1483 O LEU A 94 -2.720 -7.718 8.158 1.00 0.00 O ATOM 1484 CB LEU A 94 -2.164 -10.863 8.222 1.00 0.00 C ATOM 1485 CG LEU A 94 -2.228 -11.864 9.376 1.00 0.00 C ATOM 1486 CD1 LEU A 94 -0.929 -12.649 9.473 1.00 0.00 C ATOM 1487 CD2 LEU A 94 -2.521 -11.149 10.685 1.00 0.00 C ATOM 0 H LEU A 94 -3.978 -11.165 6.372 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.886 -9.840 9.004 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.971 -11.408 7.298 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.315 -10.199 8.384 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.039 -12.566 9.180 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.992 -13.357 10.300 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.762 -13.192 8.543 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.101 -11.962 9.646 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.563 -11.877 11.496 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.732 -10.424 10.888 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.478 -10.632 10.611 1.00 0.00 H new ATOM 1499 N LEU A 95 -3.097 -8.567 6.109 1.00 0.00 N ATOM 1500 CA LEU A 95 -2.761 -7.328 5.415 1.00 0.00 C ATOM 1501 C LEU A 95 -3.653 -6.180 5.882 1.00 0.00 C ATOM 1502 O LEU A 95 -3.192 -5.050 6.042 1.00 0.00 O ATOM 1503 CB LEU A 95 -2.899 -7.512 3.902 1.00 0.00 C ATOM 1504 CG LEU A 95 -2.538 -6.284 3.065 1.00 0.00 C ATOM 1505 CD1 LEU A 95 -1.100 -5.865 3.325 1.00 0.00 C ATOM 1506 CD2 LEU A 95 -2.755 -6.567 1.586 1.00 0.00 C ATOM 0 H LEU A 95 -3.366 -9.335 5.494 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.727 -7.079 5.652 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.265 -8.343 3.593 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.927 -7.796 3.678 1.00 0.00 H new ATOM 0 HG LEU A 95 -3.192 -5.462 3.357 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.861 -4.990 2.721 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.977 -5.622 4.380 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -0.429 -6.683 3.060 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.494 -5.683 1.004 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -2.126 -7.403 1.279 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -3.801 -6.818 1.413 1.00 0.00 H new ATOM 1518 N ILE A 96 -4.929 -6.479 6.095 1.00 0.00 N ATOM 1519 CA ILE A 96 -5.885 -5.473 6.541 1.00 0.00 C ATOM 1520 C ILE A 96 -5.757 -5.215 8.038 1.00 0.00 C ATOM 1521 O ILE A 96 -6.021 -4.111 8.514 1.00 0.00 O ATOM 1522 CB ILE A 96 -7.333 -5.894 6.226 1.00 0.00 C ATOM 1523 CG1 ILE A 96 -7.451 -6.346 4.770 1.00 0.00 C ATOM 1524 CG2 ILE A 96 -8.292 -4.747 6.510 1.00 0.00 C ATOM 1525 CD1 ILE A 96 -8.706 -7.142 4.484 1.00 0.00 C ATOM 0 H ILE A 96 -5.325 -7.410 5.966 1.00 0.00 H new ATOM 0 HA ILE A 96 -5.654 -4.557 5.997 1.00 0.00 H new ATOM 0 HB ILE A 96 -7.600 -6.733 6.869 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -7.431 -5.469 4.123 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -6.581 -6.950 4.514 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -9.311 -5.060 6.283 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -8.224 -4.468 7.561 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -8.029 -3.890 5.890 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -8.723 -7.429 3.433 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -8.718 -8.038 5.105 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -9.582 -6.533 4.708 1.00 0.00 H new ATOM 1537 N PHE A 97 -5.349 -6.241 8.779 1.00 0.00 N ATOM 1538 CA PHE A 97 -5.187 -6.125 10.223 1.00 0.00 C ATOM 1539 C PHE A 97 -4.097 -5.116 10.572 1.00 0.00 C ATOM 1540 O PHE A 97 -4.267 -4.289 11.467 1.00 0.00 O ATOM 1541 CB PHE A 97 -4.848 -7.488 10.830 1.00 0.00 C ATOM 1542 CG PHE A 97 -5.308 -7.644 12.252 1.00 0.00 C ATOM 1543 CD1 PHE A 97 -6.652 -7.818 12.543 1.00 0.00 C ATOM 1544 CD2 PHE A 97 -4.398 -7.615 13.295 1.00 0.00 C ATOM 1545 CE1 PHE A 97 -7.078 -7.961 13.850 1.00 0.00 C ATOM 1546 CE2 PHE A 97 -4.819 -7.758 14.604 1.00 0.00 C ATOM 1547 CZ PHE A 97 -6.161 -7.932 14.881 1.00 0.00 C ATOM 0 H PHE A 97 -5.125 -7.162 8.402 1.00 0.00 H new ATOM 0 HA PHE A 97 -6.130 -5.772 10.640 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -5.302 -8.270 10.222 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -3.769 -7.637 10.787 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -7.374 -7.842 11.740 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -3.348 -7.479 13.084 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -8.128 -8.095 14.064 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -4.099 -7.734 15.409 1.00 0.00 H new ATOM 0 HZ PHE A 97 -6.492 -8.045 15.903 1.00 0.00 H new ATOM 1557 N LEU A 98 -2.979 -5.191 9.858 1.00 0.00 N ATOM 1558 CA LEU A 98 -1.860 -4.285 10.092 1.00 0.00 C ATOM 1559 C LEU A 98 -2.236 -2.851 9.736 1.00 0.00 C ATOM 1560 O LEU A 98 -2.130 -1.946 10.564 1.00 0.00 O ATOM 1561 CB LEU A 98 -0.643 -4.724 9.276 1.00 0.00 C ATOM 1562 CG LEU A 98 0.692 -4.139 9.739 1.00 0.00 C ATOM 1563 CD1 LEU A 98 1.097 -4.727 11.083 1.00 0.00 C ATOM 1564 CD2 LEU A 98 1.773 -4.391 8.698 1.00 0.00 C ATOM 0 H LEU A 98 -2.823 -5.870 9.113 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.611 -4.322 11.152 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -0.576 -5.811 9.308 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.803 -4.445 8.235 1.00 0.00 H new ATOM 0 HG LEU A 98 0.573 -3.062 9.859 1.00 0.00 H new ATOM 0 HD11 LEU A 98 2.049 -4.298 11.396 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.334 -4.496 11.826 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.198 -5.808 10.991 1.00 0.00 H new ATOM 0 HD21 LEU A 98 2.716 -3.968 9.043 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.890 -5.464 8.547 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.488 -3.921 7.757 1.00 0.00 H new ATOM 1576 N LEU A 99 -2.675 -2.650 8.496 1.00 0.00 N ATOM 1577 CA LEU A 99 -3.066 -1.325 8.027 1.00 0.00 C ATOM 1578 C LEU A 99 -4.175 -0.736 8.896 1.00 0.00 C ATOM 1579 O LEU A 99 -4.362 0.479 8.939 1.00 0.00 O ATOM 1580 CB LEU A 99 -3.530 -1.395 6.571 1.00 0.00 C ATOM 1581 CG LEU A 99 -2.494 -1.942 5.588 1.00 0.00 C ATOM 1582 CD1 LEU A 99 -3.104 -2.103 4.204 1.00 0.00 C ATOM 1583 CD2 LEU A 99 -1.278 -1.029 5.532 1.00 0.00 C ATOM 0 H LEU A 99 -2.769 -3.388 7.798 1.00 0.00 H new ATOM 0 HA LEU A 99 -2.194 -0.674 8.097 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -4.422 -2.019 6.519 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.821 -0.395 6.250 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.172 -2.923 5.938 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.352 -2.493 3.518 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.943 -2.796 4.255 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.454 -1.135 3.846 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.551 -1.434 4.828 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.584 -0.035 5.206 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.826 -0.964 6.522 1.00 0.00 H new ATOM 1595 N ASN A 100 -4.910 -1.605 9.585 1.00 0.00 N ATOM 1596 CA ASN A 100 -6.002 -1.168 10.448 1.00 0.00 C ATOM 1597 C ASN A 100 -5.512 -0.186 11.510 1.00 0.00 C ATOM 1598 O ASN A 100 -6.286 0.624 12.021 1.00 0.00 O ATOM 1599 CB ASN A 100 -6.661 -2.376 11.118 1.00 0.00 C ATOM 1600 CG ASN A 100 -8.175 -2.308 11.071 1.00 0.00 C ATOM 1601 OD1 ASN A 100 -8.832 -2.148 12.099 1.00 0.00 O ATOM 1602 ND2 ASN A 100 -8.735 -2.430 9.874 1.00 0.00 N ATOM 0 H ASN A 100 -4.769 -2.615 9.562 1.00 0.00 H new ATOM 0 HA ASN A 100 -6.736 -0.656 9.826 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -6.326 -3.289 10.626 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -6.335 -2.435 12.156 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -9.750 -2.392 9.780 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -8.150 -2.561 9.048 1.00 0.00 H new ATOM 1609 N LYS A 101 -4.227 -0.264 11.843 1.00 0.00 N ATOM 1610 CA LYS A 101 -3.646 0.619 12.849 1.00 0.00 C ATOM 1611 C LYS A 101 -2.591 1.539 12.239 1.00 0.00 C ATOM 1612 O LYS A 101 -2.403 2.668 12.692 1.00 0.00 O ATOM 1613 CB LYS A 101 -3.027 -0.203 13.982 1.00 0.00 C ATOM 1614 CG LYS A 101 -3.988 -0.483 15.126 1.00 0.00 C ATOM 1615 CD LYS A 101 -3.900 -1.928 15.591 1.00 0.00 C ATOM 1616 CE LYS A 101 -2.504 -2.266 16.091 1.00 0.00 C ATOM 1617 NZ LYS A 101 -2.138 -1.472 17.296 1.00 0.00 N ATOM 0 H LYS A 101 -3.570 -0.927 11.432 1.00 0.00 H new ATOM 0 HA LYS A 101 -4.448 1.239 13.250 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -2.669 -1.150 13.579 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -2.157 0.327 14.371 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -3.765 0.182 15.960 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -5.007 -0.264 14.807 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -4.625 -2.101 16.387 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -4.165 -2.593 14.769 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -2.450 -3.329 16.327 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -1.779 -2.078 15.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -1.258 -1.847 17.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -1.999 -0.477 17.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -2.901 -1.537 17.999 1.00 0.00 H new ATOM 1631 N LYS A 102 -1.901 1.048 11.215 1.00 0.00 N ATOM 1632 CA LYS A 102 -0.862 1.827 10.550 1.00 0.00 C ATOM 1633 C LYS A 102 -1.418 3.135 9.994 1.00 0.00 C ATOM 1634 O LYS A 102 -1.175 4.208 10.547 1.00 0.00 O ATOM 1635 CB LYS A 102 -0.222 1.011 9.425 1.00 0.00 C ATOM 1636 CG LYS A 102 0.480 -0.247 9.908 1.00 0.00 C ATOM 1637 CD LYS A 102 1.864 0.065 10.456 1.00 0.00 C ATOM 1638 CE LYS A 102 2.711 -1.191 10.576 1.00 0.00 C ATOM 1639 NZ LYS A 102 3.710 -1.085 11.675 1.00 0.00 N ATOM 0 H LYS A 102 -2.042 0.115 10.828 1.00 0.00 H new ATOM 0 HA LYS A 102 -0.102 2.070 11.293 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -0.992 0.733 8.706 1.00 0.00 H new ATOM 0 HB3 LYS A 102 0.497 1.638 8.897 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -0.120 -0.726 10.682 1.00 0.00 H new ATOM 0 HG3 LYS A 102 0.564 -0.957 9.085 1.00 0.00 H new ATOM 0 HD2 LYS A 102 2.363 0.780 9.802 1.00 0.00 H new ATOM 0 HD3 LYS A 102 1.771 0.538 11.434 1.00 0.00 H new ATOM 0 HE2 LYS A 102 2.064 -2.049 10.756 1.00 0.00 H new ATOM 0 HE3 LYS A 102 3.227 -1.372 9.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 4.267 -1.962 11.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 4.344 -0.281 11.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 3.217 -0.938 12.579 1.00 0.00 H new ATOM 1653 N PHE A 103 -2.160 3.040 8.895 1.00 0.00 N ATOM 1654 CA PHE A 103 -2.743 4.219 8.263 1.00 0.00 C ATOM 1655 C PHE A 103 -4.097 4.561 8.875 1.00 0.00 C ATOM 1656 O PHE A 103 -4.408 5.730 9.103 1.00 0.00 O ATOM 1657 CB PHE A 103 -2.894 3.992 6.758 1.00 0.00 C ATOM 1658 CG PHE A 103 -1.587 3.972 6.018 1.00 0.00 C ATOM 1659 CD1 PHE A 103 -0.998 5.153 5.594 1.00 0.00 C ATOM 1660 CD2 PHE A 103 -0.946 2.774 5.748 1.00 0.00 C ATOM 1661 CE1 PHE A 103 0.205 5.138 4.914 1.00 0.00 C ATOM 1662 CE2 PHE A 103 0.257 2.752 5.069 1.00 0.00 C ATOM 1663 CZ PHE A 103 0.832 3.936 4.650 1.00 0.00 C ATOM 0 H PHE A 103 -2.372 2.160 8.424 1.00 0.00 H new ATOM 0 HA PHE A 103 -2.069 5.059 8.434 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -3.410 3.047 6.592 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -3.525 4.777 6.342 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -1.485 6.095 5.797 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -1.392 1.846 6.072 1.00 0.00 H new ATOM 0 HE1 PHE A 103 0.654 6.065 4.589 1.00 0.00 H new ATOM 0 HE2 PHE A 103 0.747 1.811 4.866 1.00 0.00 H new ATOM 0 HZ PHE A 103 1.771 3.922 4.116 1.00 0.00 H new ATOM 1673 N TYR A 104 -4.902 3.536 9.136 1.00 0.00 N ATOM 1674 CA TYR A 104 -6.226 3.730 9.719 1.00 0.00 C ATOM 1675 C TYR A 104 -6.143 4.537 11.013 1.00 0.00 C ATOM 1676 O TYR A 104 -5.633 4.055 12.025 1.00 0.00 O ATOM 1677 CB TYR A 104 -6.891 2.378 9.985 1.00 0.00 C ATOM 1678 CG TYR A 104 -7.988 2.038 9.001 1.00 0.00 C ATOM 1679 CD1 TYR A 104 -9.166 2.774 8.963 1.00 0.00 C ATOM 1680 CD2 TYR A 104 -7.845 0.981 8.111 1.00 0.00 C ATOM 1681 CE1 TYR A 104 -10.170 2.466 8.065 1.00 0.00 C ATOM 1682 CE2 TYR A 104 -8.846 0.668 7.210 1.00 0.00 C ATOM 1683 CZ TYR A 104 -10.005 1.413 7.191 1.00 0.00 C ATOM 1684 OH TYR A 104 -11.003 1.104 6.296 1.00 0.00 O ATOM 0 H TYR A 104 -4.661 2.562 8.953 1.00 0.00 H new ATOM 0 HA TYR A 104 -6.830 4.290 9.006 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -6.132 1.597 9.954 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -7.306 2.379 10.993 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -9.299 3.600 9.646 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -6.938 0.395 8.123 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -11.080 3.048 8.048 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -8.720 -0.157 6.524 1.00 0.00 H new ATOM 0 HH TYR A 104 -10.777 0.273 5.828 1.00 0.00 H new