USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 761 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 45 GLN : amide:sc= 0.0112 X(o=-2.3,f=-2.3) USER MOD Set 1.2: A 60 HIS : no HE2:sc= -2.3 K(o=-2.3,f=-1.4) USER MOD Single : A 3 LYS NZ :NH3+ -179:sc= -0.355 (180deg=-0.363) USER MOD Single : A 5 ASN : amide:sc= -0.191 K(o=-0.19,f=-1.1) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.136 X(o=-0.14,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.35 X(o=-0.35,f=-0.046) USER MOD Single : A 25 SER OG : rot 92:sc= 0.0481 USER MOD Single : A 28 ASN : amide:sc= -0.0146 K(o=-0.015,f=-1.1) USER MOD Single : A 33 THR OG1 : rot 98:sc= 0.877 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0.0449 X(o=0.045,f=0) USER MOD Single : A 47 HIS : no HD1:sc= -0.457 X(o=-0.46,f=-0.03) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot -98:sc= -5.58! USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0187) USER MOD Single : A 83 SER OG : rot -74:sc= 0.636 USER MOD Single : A 84 HIS : no HE2:sc= 0.411 K(o=0.41,f=-1.7) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N LEU A 2 -10.024 -2.003 9.557 1.00 0.00 N ATOM 21 CA LEU A 2 -10.956 -2.363 8.495 1.00 0.00 C ATOM 22 C LEU A 2 -10.505 -3.632 7.779 1.00 0.00 C ATOM 23 O LEU A 2 -9.423 -4.156 8.046 1.00 0.00 O ATOM 24 CB LEU A 2 -11.086 -1.217 7.490 1.00 0.00 C ATOM 25 CG LEU A 2 -11.491 0.130 8.092 1.00 0.00 C ATOM 26 CD1 LEU A 2 -10.825 1.272 7.342 1.00 0.00 C ATOM 27 CD2 LEU A 2 -13.003 0.287 8.073 1.00 0.00 C ATOM 0 HA LEU A 2 -11.928 -2.551 8.950 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -10.133 -1.096 6.975 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -11.822 -1.497 6.736 1.00 0.00 H new ATOM 0 HG LEU A 2 -11.155 0.160 9.128 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -11.125 2.222 7.785 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -9.742 1.167 7.407 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -11.130 1.247 6.296 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -13.274 1.250 8.505 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -13.361 0.236 7.045 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -13.459 -0.513 8.656 1.00 0.00 H new ATOM 39 N LYS A 3 -11.340 -4.120 6.868 1.00 0.00 N ATOM 40 CA LYS A 3 -11.028 -5.327 6.111 1.00 0.00 C ATOM 41 C LYS A 3 -9.924 -5.060 5.094 1.00 0.00 C ATOM 42 O LYS A 3 -9.762 -3.935 4.619 1.00 0.00 O ATOM 43 CB LYS A 3 -12.279 -5.842 5.398 1.00 0.00 C ATOM 44 CG LYS A 3 -12.260 -7.342 5.142 1.00 0.00 C ATOM 45 CD LYS A 3 -11.780 -7.661 3.736 1.00 0.00 C ATOM 46 CE LYS A 3 -12.803 -7.251 2.688 1.00 0.00 C ATOM 47 NZ LYS A 3 -14.049 -8.062 2.780 1.00 0.00 N ATOM 0 H LYS A 3 -12.239 -3.698 6.636 1.00 0.00 H new ATOM 0 HA LYS A 3 -10.677 -6.086 6.811 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -13.156 -5.595 5.997 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -12.385 -5.321 4.447 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -11.609 -7.828 5.869 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -13.260 -7.750 5.287 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -10.838 -7.146 3.547 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -11.581 -8.729 3.653 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -13.047 -6.196 2.812 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -12.369 -7.363 1.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -14.713 -7.763 2.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -13.818 -9.068 2.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -14.486 -7.922 3.713 1.00 0.00 H new ATOM 61 N LEU A 4 -9.164 -6.099 4.764 1.00 0.00 N ATOM 62 CA LEU A 4 -8.074 -5.976 3.802 1.00 0.00 C ATOM 63 C LEU A 4 -8.269 -6.935 2.632 1.00 0.00 C ATOM 64 O LEU A 4 -8.748 -8.055 2.808 1.00 0.00 O ATOM 65 CB LEU A 4 -6.732 -6.249 4.483 1.00 0.00 C ATOM 66 CG LEU A 4 -5.498 -5.894 3.646 1.00 0.00 C ATOM 67 CD1 LEU A 4 -4.512 -5.074 4.464 1.00 0.00 C ATOM 68 CD2 LEU A 4 -4.832 -7.156 3.117 1.00 0.00 C ATOM 0 H LEU A 4 -9.283 -7.036 5.149 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.077 -4.957 3.416 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.694 -5.687 5.416 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -6.683 -7.306 4.745 1.00 0.00 H new ATOM 0 HG LEU A 4 -5.822 -5.292 2.797 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -3.643 -4.833 3.851 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -4.991 -4.152 4.794 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.194 -5.649 5.334 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -3.958 -6.885 2.525 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -4.524 -7.783 3.954 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -5.537 -7.705 2.493 1.00 0.00 H new ATOM 80 N ASN A 5 -7.894 -6.488 1.438 1.00 0.00 N ATOM 81 CA ASN A 5 -8.026 -7.306 0.238 1.00 0.00 C ATOM 82 C ASN A 5 -6.709 -7.362 -0.530 1.00 0.00 C ATOM 83 O ASN A 5 -5.695 -6.829 -0.081 1.00 0.00 O ATOM 84 CB ASN A 5 -9.132 -6.753 -0.664 1.00 0.00 C ATOM 85 CG ASN A 5 -9.981 -7.849 -1.278 1.00 0.00 C ATOM 86 OD1 ASN A 5 -10.264 -8.863 -0.640 1.00 0.00 O ATOM 87 ND2 ASN A 5 -10.389 -7.650 -2.525 1.00 0.00 N ATOM 0 H ASN A 5 -7.496 -5.563 1.276 1.00 0.00 H new ATOM 0 HA ASN A 5 -8.290 -8.318 0.546 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -9.770 -6.085 -0.084 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -8.684 -6.156 -1.459 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -10.961 -8.353 -2.993 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -10.130 -6.794 -3.016 1.00 0.00 H new ATOM 94 N LEU A 6 -6.732 -8.009 -1.690 1.00 0.00 N ATOM 95 CA LEU A 6 -5.540 -8.133 -2.520 1.00 0.00 C ATOM 96 C LEU A 6 -5.898 -8.077 -4.001 1.00 0.00 C ATOM 97 O LEU A 6 -6.775 -8.806 -4.467 1.00 0.00 O ATOM 98 CB LEU A 6 -4.810 -9.441 -2.209 1.00 0.00 C ATOM 99 CG LEU A 6 -4.023 -9.447 -0.895 1.00 0.00 C ATOM 100 CD1 LEU A 6 -4.807 -10.163 0.193 1.00 0.00 C ATOM 101 CD2 LEU A 6 -2.662 -10.099 -1.091 1.00 0.00 C ATOM 0 H LEU A 6 -7.563 -8.456 -2.077 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.882 -7.294 -2.293 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -5.541 -10.249 -2.181 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.124 -9.660 -3.027 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.867 -8.414 -0.583 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -4.232 -10.157 1.119 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.757 -9.653 0.352 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.995 -11.193 -0.111 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.117 -10.094 -0.147 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.796 -11.127 -1.427 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.097 -9.543 -1.839 1.00 0.00 H new ATOM 113 N LYS A 7 -5.215 -7.206 -4.737 1.00 0.00 N ATOM 114 CA LYS A 7 -5.461 -7.054 -6.166 1.00 0.00 C ATOM 115 C LYS A 7 -4.402 -7.789 -6.982 1.00 0.00 C ATOM 116 O LYS A 7 -3.546 -8.478 -6.429 1.00 0.00 O ATOM 117 CB LYS A 7 -5.476 -5.571 -6.546 1.00 0.00 C ATOM 118 CG LYS A 7 -6.868 -4.962 -6.560 1.00 0.00 C ATOM 119 CD LYS A 7 -7.709 -5.517 -7.699 1.00 0.00 C ATOM 120 CE LYS A 7 -7.323 -4.897 -9.034 1.00 0.00 C ATOM 121 NZ LYS A 7 -8.409 -4.039 -9.582 1.00 0.00 N ATOM 0 H LYS A 7 -4.487 -6.595 -4.367 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.434 -7.490 -6.391 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.853 -5.018 -5.843 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.026 -5.452 -7.532 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.363 -5.162 -5.610 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.791 -3.879 -6.657 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.585 -6.599 -7.750 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -8.764 -5.326 -7.500 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.418 -4.302 -8.910 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.090 -5.687 -9.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.107 -3.635 -10.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -9.265 -4.612 -9.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -8.614 -3.270 -8.913 1.00 0.00 H new ATOM 135 N LYS A 8 -4.468 -7.639 -8.301 1.00 0.00 N ATOM 136 CA LYS A 8 -3.517 -8.288 -9.194 1.00 0.00 C ATOM 137 C LYS A 8 -2.189 -7.537 -9.214 1.00 0.00 C ATOM 138 O LYS A 8 -1.121 -8.146 -9.270 1.00 0.00 O ATOM 139 CB LYS A 8 -4.092 -8.373 -10.609 1.00 0.00 C ATOM 140 CG LYS A 8 -3.810 -9.696 -11.303 1.00 0.00 C ATOM 141 CD LYS A 8 -4.598 -9.826 -12.596 1.00 0.00 C ATOM 142 CE LYS A 8 -5.013 -11.267 -12.856 1.00 0.00 C ATOM 143 NZ LYS A 8 -6.485 -11.398 -13.031 1.00 0.00 N ATOM 0 H LYS A 8 -5.172 -7.073 -8.775 1.00 0.00 H new ATOM 0 HA LYS A 8 -3.336 -9.297 -8.822 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -5.170 -8.219 -10.564 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.679 -7.562 -11.209 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.744 -9.776 -11.516 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -4.065 -10.520 -10.636 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.485 -9.194 -12.547 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.994 -9.465 -13.429 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -4.507 -11.635 -13.749 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -4.689 -11.894 -12.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -6.726 -12.394 -13.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -6.967 -11.071 -12.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -6.791 -10.820 -13.840 1.00 0.00 H new ATOM 157 N SER A 9 -2.265 -6.210 -9.169 1.00 0.00 N ATOM 158 CA SER A 9 -1.071 -5.375 -9.182 1.00 0.00 C ATOM 159 C SER A 9 -0.278 -5.539 -7.890 1.00 0.00 C ATOM 160 O SER A 9 0.952 -5.604 -7.907 1.00 0.00 O ATOM 161 CB SER A 9 -1.451 -3.906 -9.379 1.00 0.00 C ATOM 162 OG SER A 9 -1.782 -3.641 -10.730 1.00 0.00 O ATOM 0 H SER A 9 -3.142 -5.691 -9.123 1.00 0.00 H new ATOM 0 HA SER A 9 -0.444 -5.695 -10.014 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.297 -3.657 -8.739 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.621 -3.269 -9.073 1.00 0.00 H new ATOM 0 HG SER A 9 -2.023 -2.696 -10.829 1.00 0.00 H new ATOM 168 N PHE A 10 -0.989 -5.604 -6.770 1.00 0.00 N ATOM 169 CA PHE A 10 -0.353 -5.760 -5.466 1.00 0.00 C ATOM 170 C PHE A 10 0.480 -7.037 -5.415 1.00 0.00 C ATOM 171 O PHE A 10 1.486 -7.106 -4.709 1.00 0.00 O ATOM 172 CB PHE A 10 -1.410 -5.782 -4.361 1.00 0.00 C ATOM 173 CG PHE A 10 -0.847 -5.569 -2.984 1.00 0.00 C ATOM 174 CD1 PHE A 10 -0.172 -4.399 -2.671 1.00 0.00 C ATOM 175 CD2 PHE A 10 -0.994 -6.536 -2.005 1.00 0.00 C ATOM 176 CE1 PHE A 10 0.347 -4.200 -1.406 1.00 0.00 C ATOM 177 CE2 PHE A 10 -0.478 -6.343 -0.737 1.00 0.00 C ATOM 178 CZ PHE A 10 0.193 -5.173 -0.437 1.00 0.00 C ATOM 0 H PHE A 10 -2.007 -5.551 -6.738 1.00 0.00 H new ATOM 0 HA PHE A 10 0.311 -4.910 -5.309 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -2.152 -5.010 -4.564 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -1.931 -6.739 -4.387 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.051 -3.635 -3.424 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.518 -7.452 -2.234 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.872 -3.285 -1.175 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.599 -7.106 0.018 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.596 -5.019 0.553 1.00 0.00 H new ATOM 188 N GLN A 11 0.054 -8.046 -6.167 1.00 0.00 N ATOM 189 CA GLN A 11 0.760 -9.322 -6.206 1.00 0.00 C ATOM 190 C GLN A 11 2.169 -9.149 -6.764 1.00 0.00 C ATOM 191 O GLN A 11 3.135 -9.668 -6.206 1.00 0.00 O ATOM 192 CB GLN A 11 -0.016 -10.331 -7.054 1.00 0.00 C ATOM 193 CG GLN A 11 -1.050 -11.120 -6.267 1.00 0.00 C ATOM 194 CD GLN A 11 -1.890 -12.023 -7.149 1.00 0.00 C ATOM 195 OE1 GLN A 11 -1.483 -13.136 -7.484 1.00 0.00 O ATOM 196 NE2 GLN A 11 -3.070 -11.547 -7.530 1.00 0.00 N ATOM 0 H GLN A 11 -0.777 -8.005 -6.758 1.00 0.00 H new ATOM 0 HA GLN A 11 0.837 -9.697 -5.185 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.515 -9.803 -7.866 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.688 -11.026 -7.512 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.544 -11.723 -5.513 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.703 -10.427 -5.736 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.367 -10.619 -7.229 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.679 -12.110 -8.124 1.00 0.00 H new ATOM 205 N LYS A 12 2.279 -8.419 -7.869 1.00 0.00 N ATOM 206 CA LYS A 12 3.571 -8.182 -8.502 1.00 0.00 C ATOM 207 C LYS A 12 4.321 -7.041 -7.816 1.00 0.00 C ATOM 208 O LYS A 12 5.539 -6.924 -7.932 1.00 0.00 O ATOM 209 CB LYS A 12 3.384 -7.862 -9.986 1.00 0.00 C ATOM 210 CG LYS A 12 2.514 -8.870 -10.721 1.00 0.00 C ATOM 211 CD LYS A 12 3.357 -9.877 -11.489 1.00 0.00 C ATOM 212 CE LYS A 12 3.749 -9.346 -12.859 1.00 0.00 C ATOM 213 NZ LYS A 12 2.737 -9.684 -13.897 1.00 0.00 N ATOM 0 H LYS A 12 1.490 -7.982 -8.344 1.00 0.00 H new ATOM 0 HA LYS A 12 4.164 -9.091 -8.402 1.00 0.00 H new ATOM 0 HB2 LYS A 12 2.939 -6.872 -10.082 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.362 -7.820 -10.466 1.00 0.00 H new ATOM 0 HG2 LYS A 12 1.880 -9.394 -10.006 1.00 0.00 H new ATOM 0 HG3 LYS A 12 1.852 -8.347 -11.411 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.255 -10.112 -10.918 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.800 -10.807 -11.604 1.00 0.00 H new ATOM 0 HE2 LYS A 12 3.869 -8.264 -12.808 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.715 -9.761 -13.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 3.042 -9.304 -14.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 2.641 -10.717 -13.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 1.820 -9.267 -13.637 1.00 0.00 H new ATOM 227 N ASP A 13 3.585 -6.203 -7.100 1.00 0.00 N ATOM 228 CA ASP A 13 4.178 -5.072 -6.392 1.00 0.00 C ATOM 229 C ASP A 13 4.578 -5.462 -4.972 1.00 0.00 C ATOM 230 O ASP A 13 5.268 -4.710 -4.283 1.00 0.00 O ATOM 231 CB ASP A 13 3.198 -3.898 -6.354 1.00 0.00 C ATOM 232 CG ASP A 13 3.094 -3.190 -7.691 1.00 0.00 C ATOM 233 OD1 ASP A 13 4.078 -2.533 -8.093 1.00 0.00 O ATOM 234 OD2 ASP A 13 2.029 -3.291 -8.334 1.00 0.00 O ATOM 0 H ASP A 13 2.574 -6.283 -6.992 1.00 0.00 H new ATOM 0 HA ASP A 13 5.076 -4.771 -6.931 1.00 0.00 H new ATOM 0 HB2 ASP A 13 2.213 -4.260 -6.060 1.00 0.00 H new ATOM 0 HB3 ASP A 13 3.517 -3.186 -5.593 1.00 0.00 H new ATOM 239 N PHE A 14 4.138 -6.637 -4.536 1.00 0.00 N ATOM 240 CA PHE A 14 4.451 -7.120 -3.201 1.00 0.00 C ATOM 241 C PHE A 14 5.735 -7.940 -3.201 1.00 0.00 C ATOM 242 O PHE A 14 6.745 -7.527 -2.643 1.00 0.00 O ATOM 243 CB PHE A 14 3.293 -7.959 -2.655 1.00 0.00 C ATOM 244 CG PHE A 14 3.527 -8.474 -1.263 1.00 0.00 C ATOM 245 CD1 PHE A 14 4.338 -9.575 -1.044 1.00 0.00 C ATOM 246 CD2 PHE A 14 2.932 -7.857 -0.173 1.00 0.00 C ATOM 247 CE1 PHE A 14 4.554 -10.051 0.236 1.00 0.00 C ATOM 248 CE2 PHE A 14 3.144 -8.329 1.110 1.00 0.00 C ATOM 249 CZ PHE A 14 3.956 -9.428 1.314 1.00 0.00 C ATOM 0 H PHE A 14 3.563 -7.272 -5.090 1.00 0.00 H new ATOM 0 HA PHE A 14 4.599 -6.254 -2.556 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.384 -7.357 -2.663 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.122 -8.804 -3.322 1.00 0.00 H new ATOM 0 HD1 PHE A 14 4.807 -10.068 -1.883 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.296 -6.998 -0.327 1.00 0.00 H new ATOM 0 HE1 PHE A 14 5.190 -10.910 0.393 1.00 0.00 H new ATOM 0 HE2 PHE A 14 2.675 -7.839 1.951 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.123 -9.799 2.314 1.00 0.00 H new ATOM 259 N ASP A 15 5.680 -9.115 -3.817 1.00 0.00 N ATOM 260 CA ASP A 15 6.830 -10.008 -3.877 1.00 0.00 C ATOM 261 C ASP A 15 7.687 -9.772 -5.120 1.00 0.00 C ATOM 262 O ASP A 15 8.903 -9.961 -5.081 1.00 0.00 O ATOM 263 CB ASP A 15 6.368 -11.466 -3.839 1.00 0.00 C ATOM 264 CG ASP A 15 7.373 -12.372 -3.154 1.00 0.00 C ATOM 265 OD1 ASP A 15 8.391 -12.715 -3.789 1.00 0.00 O ATOM 266 OD2 ASP A 15 7.140 -12.740 -1.983 1.00 0.00 O ATOM 0 H ASP A 15 4.847 -9.472 -4.284 1.00 0.00 H new ATOM 0 HA ASP A 15 7.448 -9.791 -3.006 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.412 -11.528 -3.318 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.200 -11.818 -4.857 1.00 0.00 H new ATOM 271 N LYS A 16 7.060 -9.382 -6.229 1.00 0.00 N ATOM 272 CA LYS A 16 7.804 -9.156 -7.467 1.00 0.00 C ATOM 273 C LYS A 16 8.568 -7.839 -7.425 1.00 0.00 C ATOM 274 O LYS A 16 9.589 -7.686 -8.097 1.00 0.00 O ATOM 275 CB LYS A 16 6.869 -9.190 -8.677 1.00 0.00 C ATOM 276 CG LYS A 16 7.357 -10.100 -9.793 1.00 0.00 C ATOM 277 CD LYS A 16 7.375 -11.557 -9.361 1.00 0.00 C ATOM 278 CE LYS A 16 5.986 -12.173 -9.423 1.00 0.00 C ATOM 279 NZ LYS A 16 6.013 -13.549 -9.993 1.00 0.00 N ATOM 0 H LYS A 16 6.056 -9.218 -6.296 1.00 0.00 H new ATOM 0 HA LYS A 16 8.530 -9.963 -7.565 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.882 -9.521 -8.354 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.755 -8.179 -9.067 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.712 -9.986 -10.664 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.359 -9.798 -10.097 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.053 -12.120 -10.003 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.762 -11.632 -8.345 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.557 -12.203 -8.421 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.336 -11.542 -10.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.047 -13.933 -10.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.398 -13.517 -10.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.613 -14.158 -9.401 1.00 0.00 H new ATOM 293 N LEU A 17 8.086 -6.894 -6.627 1.00 0.00 N ATOM 294 CA LEU A 17 8.751 -5.606 -6.501 1.00 0.00 C ATOM 295 C LEU A 17 9.997 -5.745 -5.641 1.00 0.00 C ATOM 296 O LEU A 17 10.996 -5.062 -5.858 1.00 0.00 O ATOM 297 CB LEU A 17 7.807 -4.567 -5.892 1.00 0.00 C ATOM 298 CG LEU A 17 7.617 -3.296 -6.721 1.00 0.00 C ATOM 299 CD1 LEU A 17 6.693 -2.327 -6.002 1.00 0.00 C ATOM 300 CD2 LEU A 17 8.959 -2.640 -7.009 1.00 0.00 C ATOM 0 H LEU A 17 7.243 -6.995 -6.062 1.00 0.00 H new ATOM 0 HA LEU A 17 9.040 -5.268 -7.496 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.833 -5.031 -5.738 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.186 -4.287 -4.909 1.00 0.00 H new ATOM 0 HG LEU A 17 7.159 -3.570 -7.671 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.568 -1.428 -6.605 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.722 -2.797 -5.847 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.125 -2.060 -5.038 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.803 -1.737 -7.600 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.446 -2.379 -6.069 1.00 0.00 H new ATOM 0 HD23 LEU A 17 9.591 -3.333 -7.565 1.00 0.00 H new ATOM 312 N LEU A 18 9.927 -6.645 -4.663 1.00 0.00 N ATOM 313 CA LEU A 18 11.051 -6.885 -3.761 1.00 0.00 C ATOM 314 C LEU A 18 12.311 -7.243 -4.546 1.00 0.00 C ATOM 315 O LEU A 18 13.403 -6.765 -4.236 1.00 0.00 O ATOM 316 CB LEU A 18 10.719 -8.011 -2.778 1.00 0.00 C ATOM 317 CG LEU A 18 9.859 -7.621 -1.566 1.00 0.00 C ATOM 318 CD1 LEU A 18 9.016 -6.387 -1.855 1.00 0.00 C ATOM 319 CD2 LEU A 18 8.977 -8.790 -1.148 1.00 0.00 C ATOM 0 H LEU A 18 9.105 -7.219 -4.475 1.00 0.00 H new ATOM 0 HA LEU A 18 11.235 -5.967 -3.203 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.204 -8.801 -3.324 1.00 0.00 H new ATOM 0 HB3 LEU A 18 11.655 -8.434 -2.412 1.00 0.00 H new ATOM 0 HG LEU A 18 10.529 -7.375 -0.743 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.420 -6.139 -0.976 1.00 0.00 H new ATOM 0 HD12 LEU A 18 9.669 -5.549 -2.098 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.354 -6.588 -2.697 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.373 -8.501 -0.288 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.323 -9.066 -1.975 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.603 -9.641 -0.881 1.00 0.00 H new ATOM 331 N LEU A 19 12.151 -8.085 -5.561 1.00 0.00 N ATOM 332 CA LEU A 19 13.276 -8.508 -6.391 1.00 0.00 C ATOM 333 C LEU A 19 13.568 -7.494 -7.497 1.00 0.00 C ATOM 334 O LEU A 19 14.494 -7.681 -8.288 1.00 0.00 O ATOM 335 CB LEU A 19 12.995 -9.881 -7.005 1.00 0.00 C ATOM 336 CG LEU A 19 11.778 -9.942 -7.929 1.00 0.00 C ATOM 337 CD1 LEU A 19 12.127 -9.400 -9.307 1.00 0.00 C ATOM 338 CD2 LEU A 19 11.261 -11.369 -8.032 1.00 0.00 C ATOM 0 H LEU A 19 11.254 -8.489 -5.830 1.00 0.00 H new ATOM 0 HA LEU A 19 14.155 -8.572 -5.750 1.00 0.00 H new ATOM 0 HB2 LEU A 19 13.874 -10.197 -7.566 1.00 0.00 H new ATOM 0 HB3 LEU A 19 12.856 -10.601 -6.198 1.00 0.00 H new ATOM 0 HG LEU A 19 10.990 -9.319 -7.505 1.00 0.00 H new ATOM 0 HD11 LEU A 19 11.249 -9.451 -9.951 1.00 0.00 H new ATOM 0 HD12 LEU A 19 12.452 -8.363 -9.219 1.00 0.00 H new ATOM 0 HD13 LEU A 19 12.930 -9.997 -9.740 1.00 0.00 H new ATOM 0 HD21 LEU A 19 10.395 -11.395 -8.693 1.00 0.00 H new ATOM 0 HD22 LEU A 19 12.044 -12.012 -8.434 1.00 0.00 H new ATOM 0 HD23 LEU A 19 10.973 -11.724 -7.042 1.00 0.00 H new ATOM 350 N ASN A 20 12.778 -6.424 -7.556 1.00 0.00 N ATOM 351 CA ASN A 20 12.965 -5.395 -8.570 1.00 0.00 C ATOM 352 C ASN A 20 13.755 -4.216 -8.011 1.00 0.00 C ATOM 353 O ASN A 20 13.498 -3.063 -8.356 1.00 0.00 O ATOM 354 CB ASN A 20 11.609 -4.915 -9.097 1.00 0.00 C ATOM 355 CG ASN A 20 11.523 -4.976 -10.609 1.00 0.00 C ATOM 356 OD1 ASN A 20 10.503 -5.377 -11.169 1.00 0.00 O ATOM 357 ND2 ASN A 20 12.600 -4.579 -11.279 1.00 0.00 N ATOM 0 H ASN A 20 12.005 -6.249 -6.914 1.00 0.00 H new ATOM 0 HA ASN A 20 13.532 -5.830 -9.393 1.00 0.00 H new ATOM 0 HB2 ASN A 20 10.817 -5.527 -8.666 1.00 0.00 H new ATOM 0 HB3 ASN A 20 11.436 -3.891 -8.767 1.00 0.00 H new ATOM 0 HD21 ASN A 20 12.602 -4.599 -12.299 1.00 0.00 H new ATOM 0 HD22 ASN A 20 13.424 -4.254 -10.773 1.00 0.00 H new ATOM 364 N GLY A 21 14.718 -4.515 -7.146 1.00 0.00 N ATOM 365 CA GLY A 21 15.533 -3.471 -6.553 1.00 0.00 C ATOM 366 C GLY A 21 14.865 -2.828 -5.353 1.00 0.00 C ATOM 367 O GLY A 21 15.141 -1.675 -5.022 1.00 0.00 O ATOM 0 H GLY A 21 14.949 -5.462 -6.845 1.00 0.00 H new ATOM 0 HA2 GLY A 21 16.492 -3.891 -6.250 1.00 0.00 H new ATOM 0 HA3 GLY A 21 15.742 -2.707 -7.302 1.00 0.00 H new ATOM 371 N PHE A 22 13.982 -3.576 -4.701 1.00 0.00 N ATOM 372 CA PHE A 22 13.268 -3.077 -3.531 1.00 0.00 C ATOM 373 C PHE A 22 13.673 -3.849 -2.279 1.00 0.00 C ATOM 374 O PHE A 22 13.677 -5.080 -2.273 1.00 0.00 O ATOM 375 CB PHE A 22 11.757 -3.183 -3.753 1.00 0.00 C ATOM 376 CG PHE A 22 10.938 -2.715 -2.586 1.00 0.00 C ATOM 377 CD1 PHE A 22 10.850 -3.479 -1.434 1.00 0.00 C ATOM 378 CD2 PHE A 22 10.256 -1.510 -2.641 1.00 0.00 C ATOM 379 CE1 PHE A 22 10.098 -3.050 -0.357 1.00 0.00 C ATOM 380 CE2 PHE A 22 9.501 -1.076 -1.567 1.00 0.00 C ATOM 381 CZ PHE A 22 9.422 -1.846 -0.424 1.00 0.00 C ATOM 0 H PHE A 22 13.743 -4.532 -4.963 1.00 0.00 H new ATOM 0 HA PHE A 22 13.533 -2.030 -3.387 1.00 0.00 H new ATOM 0 HB2 PHE A 22 11.487 -2.598 -4.632 1.00 0.00 H new ATOM 0 HB3 PHE A 22 11.503 -4.221 -3.970 1.00 0.00 H new ATOM 0 HD1 PHE A 22 11.375 -4.421 -1.377 1.00 0.00 H new ATOM 0 HD2 PHE A 22 10.315 -0.903 -3.532 1.00 0.00 H new ATOM 0 HE1 PHE A 22 10.038 -3.655 0.536 1.00 0.00 H new ATOM 0 HE2 PHE A 22 8.973 -0.135 -1.622 1.00 0.00 H new ATOM 0 HZ PHE A 22 8.833 -1.508 0.416 1.00 0.00 H new ATOM 391 N ASP A 23 14.012 -3.119 -1.222 1.00 0.00 N ATOM 392 CA ASP A 23 14.418 -3.737 0.035 1.00 0.00 C ATOM 393 C ASP A 23 13.221 -4.354 0.751 1.00 0.00 C ATOM 394 O ASP A 23 12.296 -3.649 1.155 1.00 0.00 O ATOM 395 CB ASP A 23 15.093 -2.705 0.940 1.00 0.00 C ATOM 396 CG ASP A 23 16.059 -3.340 1.922 1.00 0.00 C ATOM 397 OD1 ASP A 23 15.610 -4.165 2.746 1.00 0.00 O ATOM 398 OD2 ASP A 23 17.263 -3.014 1.867 1.00 0.00 O ATOM 0 H ASP A 23 14.014 -2.099 -1.211 1.00 0.00 H new ATOM 0 HA ASP A 23 15.129 -4.531 -0.193 1.00 0.00 H new ATOM 0 HB2 ASP A 23 15.628 -1.981 0.325 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.330 -2.154 1.490 1.00 0.00 H new ATOM 403 N ASP A 24 13.246 -5.673 0.906 1.00 0.00 N ATOM 404 CA ASP A 24 12.162 -6.388 1.572 1.00 0.00 C ATOM 405 C ASP A 24 12.116 -6.055 3.061 1.00 0.00 C ATOM 406 O ASP A 24 11.068 -6.161 3.698 1.00 0.00 O ATOM 407 CB ASP A 24 12.325 -7.897 1.382 1.00 0.00 C ATOM 408 CG ASP A 24 13.624 -8.417 1.967 1.00 0.00 C ATOM 409 OD1 ASP A 24 14.665 -7.754 1.784 1.00 0.00 O ATOM 410 OD2 ASP A 24 13.597 -9.488 2.610 1.00 0.00 O ATOM 0 H ASP A 24 14.006 -6.270 0.579 1.00 0.00 H new ATOM 0 HA ASP A 24 11.223 -6.069 1.119 1.00 0.00 H new ATOM 0 HB2 ASP A 24 11.487 -8.412 1.851 1.00 0.00 H new ATOM 0 HB3 ASP A 24 12.289 -8.132 0.318 1.00 0.00 H new ATOM 415 N SER A 25 13.256 -5.653 3.613 1.00 0.00 N ATOM 416 CA SER A 25 13.340 -5.309 5.028 1.00 0.00 C ATOM 417 C SER A 25 12.486 -4.085 5.353 1.00 0.00 C ATOM 418 O SER A 25 12.118 -3.863 6.506 1.00 0.00 O ATOM 419 CB SER A 25 14.795 -5.047 5.423 1.00 0.00 C ATOM 420 OG SER A 25 15.633 -6.117 5.025 1.00 0.00 O ATOM 0 H SER A 25 14.134 -5.557 3.103 1.00 0.00 H new ATOM 0 HA SER A 25 12.957 -6.154 5.600 1.00 0.00 H new ATOM 0 HB2 SER A 25 15.139 -4.121 4.962 1.00 0.00 H new ATOM 0 HB3 SER A 25 14.863 -4.910 6.502 1.00 0.00 H new ATOM 0 HG SER A 25 15.992 -5.937 4.131 1.00 0.00 H new ATOM 426 N VAL A 26 12.179 -3.288 4.332 1.00 0.00 N ATOM 427 CA VAL A 26 11.373 -2.086 4.518 1.00 0.00 C ATOM 428 C VAL A 26 9.881 -2.406 4.503 1.00 0.00 C ATOM 429 O VAL A 26 9.111 -1.850 5.287 1.00 0.00 O ATOM 430 CB VAL A 26 11.672 -1.038 3.431 1.00 0.00 C ATOM 431 CG1 VAL A 26 10.971 0.276 3.744 1.00 0.00 C ATOM 432 CG2 VAL A 26 13.173 -0.827 3.290 1.00 0.00 C ATOM 0 H VAL A 26 12.476 -3.453 3.370 1.00 0.00 H new ATOM 0 HA VAL A 26 11.640 -1.678 5.493 1.00 0.00 H new ATOM 0 HB VAL A 26 11.288 -1.410 2.481 1.00 0.00 H new ATOM 0 HG11 VAL A 26 11.195 1.003 2.964 1.00 0.00 H new ATOM 0 HG12 VAL A 26 9.894 0.112 3.789 1.00 0.00 H new ATOM 0 HG13 VAL A 26 11.321 0.655 4.704 1.00 0.00 H new ATOM 0 HG21 VAL A 26 13.365 -0.083 2.517 1.00 0.00 H new ATOM 0 HG22 VAL A 26 13.582 -0.479 4.238 1.00 0.00 H new ATOM 0 HG23 VAL A 26 13.648 -1.768 3.013 1.00 0.00 H new ATOM 442 N LEU A 27 9.475 -3.299 3.606 1.00 0.00 N ATOM 443 CA LEU A 27 8.072 -3.683 3.491 1.00 0.00 C ATOM 444 C LEU A 27 7.543 -4.235 4.811 1.00 0.00 C ATOM 445 O LEU A 27 6.387 -4.014 5.168 1.00 0.00 O ATOM 446 CB LEU A 27 7.894 -4.716 2.372 1.00 0.00 C ATOM 447 CG LEU A 27 8.182 -6.168 2.764 1.00 0.00 C ATOM 448 CD1 LEU A 27 6.904 -6.865 3.203 1.00 0.00 C ATOM 449 CD2 LEU A 27 8.827 -6.917 1.606 1.00 0.00 C ATOM 0 H LEU A 27 10.097 -3.770 2.949 1.00 0.00 H new ATOM 0 HA LEU A 27 7.496 -2.791 3.244 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.870 -4.654 2.003 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.548 -4.445 1.543 1.00 0.00 H new ATOM 0 HG LEU A 27 8.879 -6.166 3.602 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.128 -7.896 3.478 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.482 -6.344 4.062 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.185 -6.856 2.384 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.024 -7.947 1.904 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.154 -6.910 0.748 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.765 -6.432 1.336 1.00 0.00 H new ATOM 461 N ASN A 28 8.395 -4.957 5.529 1.00 0.00 N ATOM 462 CA ASN A 28 8.014 -5.546 6.809 1.00 0.00 C ATOM 463 C ASN A 28 7.530 -4.481 7.791 1.00 0.00 C ATOM 464 O ASN A 28 6.833 -4.790 8.757 1.00 0.00 O ATOM 465 CB ASN A 28 9.193 -6.311 7.411 1.00 0.00 C ATOM 466 CG ASN A 28 8.747 -7.434 8.327 1.00 0.00 C ATOM 467 OD1 ASN A 28 7.577 -7.519 8.700 1.00 0.00 O ATOM 468 ND2 ASN A 28 9.681 -8.303 8.698 1.00 0.00 N ATOM 0 H ASN A 28 9.356 -5.149 5.247 1.00 0.00 H new ATOM 0 HA ASN A 28 7.191 -6.237 6.625 1.00 0.00 H new ATOM 0 HB2 ASN A 28 9.804 -6.722 6.607 1.00 0.00 H new ATOM 0 HB3 ASN A 28 9.824 -5.620 7.969 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.440 -9.078 9.316 1.00 0.00 H new ATOM 0 HD22 ASN A 28 10.639 -8.195 8.365 1.00 0.00 H new ATOM 475 N GLU A 29 7.906 -3.230 7.546 1.00 0.00 N ATOM 476 CA GLU A 29 7.511 -2.129 8.420 1.00 0.00 C ATOM 477 C GLU A 29 6.126 -1.598 8.054 1.00 0.00 C ATOM 478 O GLU A 29 5.346 -1.221 8.929 1.00 0.00 O ATOM 479 CB GLU A 29 8.538 -0.999 8.343 1.00 0.00 C ATOM 480 CG GLU A 29 9.820 -1.286 9.110 1.00 0.00 C ATOM 481 CD GLU A 29 9.560 -1.685 10.549 1.00 0.00 C ATOM 482 OE1 GLU A 29 9.238 -2.868 10.789 1.00 0.00 O ATOM 483 OE2 GLU A 29 9.680 -0.815 11.438 1.00 0.00 O ATOM 0 H GLU A 29 8.482 -2.953 6.752 1.00 0.00 H new ATOM 0 HA GLU A 29 7.470 -2.511 9.440 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.784 -0.814 7.297 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.089 -0.085 8.731 1.00 0.00 H new ATOM 0 HG2 GLU A 29 10.368 -2.084 8.609 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.456 -0.401 9.091 1.00 0.00 H new ATOM 490 N VAL A 30 5.831 -1.556 6.759 1.00 0.00 N ATOM 491 CA VAL A 30 4.542 -1.058 6.287 1.00 0.00 C ATOM 492 C VAL A 30 3.507 -2.177 6.173 1.00 0.00 C ATOM 493 O VAL A 30 2.324 -1.968 6.443 1.00 0.00 O ATOM 494 CB VAL A 30 4.683 -0.355 4.922 1.00 0.00 C ATOM 495 CG1 VAL A 30 5.236 -1.310 3.879 1.00 0.00 C ATOM 496 CG2 VAL A 30 3.351 0.225 4.473 1.00 0.00 C ATOM 0 H VAL A 30 6.464 -1.859 6.019 1.00 0.00 H new ATOM 0 HA VAL A 30 4.196 -0.339 7.029 1.00 0.00 H new ATOM 0 HB VAL A 30 5.389 0.468 5.035 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.327 -0.793 2.924 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.217 -1.665 4.194 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.561 -2.159 3.769 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.475 0.716 3.508 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.618 -0.576 4.381 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.004 0.952 5.208 1.00 0.00 H new ATOM 506 N ILE A 31 3.954 -3.360 5.762 1.00 0.00 N ATOM 507 CA ILE A 31 3.057 -4.501 5.599 1.00 0.00 C ATOM 508 C ILE A 31 2.581 -5.040 6.949 1.00 0.00 C ATOM 509 O ILE A 31 1.384 -5.245 7.154 1.00 0.00 O ATOM 510 CB ILE A 31 3.735 -5.631 4.784 1.00 0.00 C ATOM 511 CG1 ILE A 31 3.391 -5.484 3.301 1.00 0.00 C ATOM 512 CG2 ILE A 31 3.324 -7.011 5.287 1.00 0.00 C ATOM 513 CD1 ILE A 31 4.033 -4.280 2.648 1.00 0.00 C ATOM 0 H ILE A 31 4.930 -3.554 5.536 1.00 0.00 H new ATOM 0 HA ILE A 31 2.186 -4.147 5.048 1.00 0.00 H new ATOM 0 HB ILE A 31 4.813 -5.539 4.916 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.705 -6.384 2.773 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.309 -5.412 3.193 1.00 0.00 H new ATOM 0 HG21 ILE A 31 3.819 -7.778 4.691 1.00 0.00 H new ATOM 0 HG22 ILE A 31 3.615 -7.119 6.332 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.244 -7.124 5.198 1.00 0.00 H new ATOM 0 HD11 ILE A 31 3.745 -4.239 1.597 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.700 -3.372 3.151 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.117 -4.360 2.724 1.00 0.00 H new ATOM 525 N LEU A 32 3.516 -5.281 7.861 1.00 0.00 N ATOM 526 CA LEU A 32 3.173 -5.808 9.179 1.00 0.00 C ATOM 527 C LEU A 32 2.191 -4.890 9.911 1.00 0.00 C ATOM 528 O LEU A 32 1.519 -5.315 10.851 1.00 0.00 O ATOM 529 CB LEU A 32 4.444 -6.045 10.015 1.00 0.00 C ATOM 530 CG LEU A 32 4.900 -4.891 10.918 1.00 0.00 C ATOM 531 CD1 LEU A 32 4.845 -3.564 10.176 1.00 0.00 C ATOM 532 CD2 LEU A 32 4.057 -4.836 12.187 1.00 0.00 C ATOM 0 H LEU A 32 4.513 -5.121 7.714 1.00 0.00 H new ATOM 0 HA LEU A 32 2.675 -6.767 9.038 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.281 -6.923 10.641 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.260 -6.286 9.333 1.00 0.00 H new ATOM 0 HG LEU A 32 5.936 -5.074 11.203 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.173 -2.763 10.838 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.500 -3.606 9.306 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.823 -3.371 9.852 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.396 -4.011 12.814 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.011 -4.684 11.922 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.161 -5.773 12.734 1.00 0.00 H new ATOM 544 N THR A 33 2.102 -3.636 9.473 1.00 0.00 N ATOM 545 CA THR A 33 1.192 -2.676 10.091 1.00 0.00 C ATOM 546 C THR A 33 -0.210 -2.802 9.498 1.00 0.00 C ATOM 547 O THR A 33 -1.207 -2.547 10.173 1.00 0.00 O ATOM 548 CB THR A 33 1.707 -1.246 9.899 1.00 0.00 C ATOM 549 OG1 THR A 33 2.998 -1.096 10.459 1.00 0.00 O ATOM 550 CG2 THR A 33 0.813 -0.196 10.526 1.00 0.00 C ATOM 0 H THR A 33 2.647 -3.263 8.696 1.00 0.00 H new ATOM 0 HA THR A 33 1.145 -2.896 11.157 1.00 0.00 H new ATOM 0 HB THR A 33 1.723 -1.091 8.820 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.672 -1.175 9.752 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.237 0.793 10.353 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.180 -0.249 10.079 1.00 0.00 H new ATOM 0 HG23 THR A 33 0.738 -0.375 11.598 1.00 0.00 H new ATOM 558 N LEU A 34 -0.276 -3.190 8.228 1.00 0.00 N ATOM 559 CA LEU A 34 -1.550 -3.342 7.536 1.00 0.00 C ATOM 560 C LEU A 34 -2.108 -4.753 7.698 1.00 0.00 C ATOM 561 O LEU A 34 -3.322 -4.953 7.700 1.00 0.00 O ATOM 562 CB LEU A 34 -1.381 -3.021 6.049 1.00 0.00 C ATOM 563 CG LEU A 34 -0.863 -1.614 5.744 1.00 0.00 C ATOM 564 CD1 LEU A 34 -0.836 -1.370 4.244 1.00 0.00 C ATOM 565 CD2 LEU A 34 -1.720 -0.568 6.440 1.00 0.00 C ATOM 0 H LEU A 34 0.541 -3.405 7.656 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.258 -2.644 7.983 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.695 -3.747 5.612 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.343 -3.153 5.553 1.00 0.00 H new ATOM 0 HG LEU A 34 0.155 -1.532 6.124 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.465 -0.364 4.046 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.180 -2.099 3.769 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.844 -1.471 3.841 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.337 0.427 6.212 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.749 -0.650 6.090 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.689 -0.730 7.517 1.00 0.00 H new ATOM 577 N ARG A 35 -1.215 -5.729 7.822 1.00 0.00 N ATOM 578 CA ARG A 35 -1.624 -7.122 7.972 1.00 0.00 C ATOM 579 C ARG A 35 -1.721 -7.529 9.441 1.00 0.00 C ATOM 580 O ARG A 35 -1.688 -8.717 9.764 1.00 0.00 O ATOM 581 CB ARG A 35 -0.642 -8.040 7.243 1.00 0.00 C ATOM 582 CG ARG A 35 -0.482 -7.704 5.769 1.00 0.00 C ATOM 583 CD ARG A 35 -0.126 -8.935 4.952 1.00 0.00 C ATOM 584 NE ARG A 35 -0.522 -8.797 3.552 1.00 0.00 N ATOM 585 CZ ARG A 35 -1.766 -8.972 3.114 1.00 0.00 C ATOM 586 NH1 ARG A 35 -2.736 -9.293 3.960 1.00 0.00 N ATOM 587 NH2 ARG A 35 -2.040 -8.827 1.825 1.00 0.00 N ATOM 0 H ARG A 35 -0.206 -5.582 7.822 1.00 0.00 H new ATOM 0 HA ARG A 35 -2.616 -7.223 7.531 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.331 -7.978 7.730 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.981 -9.071 7.338 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.408 -7.271 5.391 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.295 -6.949 5.649 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.948 -9.110 5.009 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.614 -9.809 5.382 1.00 0.00 H new ATOM 0 HE ARG A 35 0.197 -8.552 2.871 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -2.530 -9.407 4.952 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -3.688 -9.426 3.618 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -1.297 -8.582 1.170 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -2.993 -8.961 1.488 1.00 0.00 H new ATOM 601 N LYS A 36 -1.844 -6.545 10.329 1.00 0.00 N ATOM 602 CA LYS A 36 -1.949 -6.825 11.758 1.00 0.00 C ATOM 603 C LYS A 36 -3.267 -6.305 12.322 1.00 0.00 C ATOM 604 O LYS A 36 -4.036 -7.061 12.914 1.00 0.00 O ATOM 605 CB LYS A 36 -0.775 -6.193 12.509 1.00 0.00 C ATOM 606 CG LYS A 36 0.388 -7.145 12.731 1.00 0.00 C ATOM 607 CD LYS A 36 1.329 -6.632 13.809 1.00 0.00 C ATOM 608 CE LYS A 36 2.657 -7.372 13.788 1.00 0.00 C ATOM 609 NZ LYS A 36 2.552 -8.721 14.410 1.00 0.00 N ATOM 0 H LYS A 36 -1.873 -5.555 10.087 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.920 -7.906 11.893 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.422 -5.326 11.951 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.126 -5.830 13.475 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.007 -8.126 13.015 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.937 -7.274 11.798 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.503 -5.566 13.664 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.862 -6.749 14.787 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.000 -7.473 12.758 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.408 -6.786 14.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.478 -9.192 14.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.249 -8.624 15.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.855 -9.290 13.889 1.00 0.00 H new ATOM 623 N LYS A 37 -3.521 -5.010 12.125 1.00 0.00 N ATOM 624 CA LYS A 37 -4.751 -4.368 12.605 1.00 0.00 C ATOM 625 C LYS A 37 -4.581 -2.853 12.704 1.00 0.00 C ATOM 626 O LYS A 37 -5.565 -2.112 12.722 1.00 0.00 O ATOM 627 CB LYS A 37 -5.166 -4.918 13.975 1.00 0.00 C ATOM 628 CG LYS A 37 -4.003 -5.097 14.939 1.00 0.00 C ATOM 629 CD LYS A 37 -4.247 -4.373 16.253 1.00 0.00 C ATOM 630 CE LYS A 37 -3.499 -3.050 16.308 1.00 0.00 C ATOM 631 NZ LYS A 37 -2.213 -3.170 17.049 1.00 0.00 N ATOM 0 H LYS A 37 -2.888 -4.380 11.633 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.532 -4.593 11.879 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.896 -4.243 14.422 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.663 -5.878 13.836 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.850 -6.159 15.131 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.089 -4.721 14.480 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.315 -4.194 16.378 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.931 -5.006 17.082 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.303 -2.701 15.294 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.126 -2.298 16.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -1.734 -2.247 17.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.402 -3.478 18.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.604 -3.869 16.577 1.00 0.00 H new ATOM 645 N GLU A 38 -3.334 -2.395 12.776 1.00 0.00 N ATOM 646 CA GLU A 38 -3.050 -0.968 12.880 1.00 0.00 C ATOM 647 C GLU A 38 -3.471 -0.231 11.609 1.00 0.00 C ATOM 648 O GLU A 38 -2.864 -0.410 10.552 1.00 0.00 O ATOM 649 CB GLU A 38 -1.559 -0.743 13.142 1.00 0.00 C ATOM 650 CG GLU A 38 -1.237 0.650 13.656 1.00 0.00 C ATOM 651 CD GLU A 38 -1.368 0.760 15.163 1.00 0.00 C ATOM 652 OE1 GLU A 38 -2.215 0.045 15.739 1.00 0.00 O ATOM 653 OE2 GLU A 38 -0.624 1.560 15.768 1.00 0.00 O ATOM 0 H GLU A 38 -2.506 -2.991 12.764 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.626 -0.569 13.715 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.211 -1.479 13.867 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.006 -0.918 12.219 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.221 0.916 13.363 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.904 1.371 13.183 1.00 0.00 H new ATOM 660 N PRO A 39 -4.517 0.613 11.691 1.00 0.00 N ATOM 661 CA PRO A 39 -5.006 1.375 10.538 1.00 0.00 C ATOM 662 C PRO A 39 -4.042 2.483 10.129 1.00 0.00 C ATOM 663 O PRO A 39 -2.991 2.663 10.744 1.00 0.00 O ATOM 664 CB PRO A 39 -6.324 1.967 11.036 1.00 0.00 C ATOM 665 CG PRO A 39 -6.160 2.063 12.513 1.00 0.00 C ATOM 666 CD PRO A 39 -5.301 0.894 12.910 1.00 0.00 C ATOM 0 HA PRO A 39 -5.115 0.751 9.651 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -6.511 2.946 10.594 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.169 1.331 10.772 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -5.690 3.006 12.793 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -7.126 2.026 13.016 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -4.656 1.138 13.754 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -5.904 0.035 13.207 1.00 0.00 H new ATOM 674 N LEU A 40 -4.409 3.226 9.089 1.00 0.00 N ATOM 675 CA LEU A 40 -3.575 4.318 8.600 1.00 0.00 C ATOM 676 C LEU A 40 -4.121 5.667 9.058 1.00 0.00 C ATOM 677 O LEU A 40 -5.236 6.049 8.703 1.00 0.00 O ATOM 678 CB LEU A 40 -3.491 4.275 7.073 1.00 0.00 C ATOM 679 CG LEU A 40 -2.930 2.976 6.492 1.00 0.00 C ATOM 680 CD1 LEU A 40 -3.187 2.903 4.995 1.00 0.00 C ATOM 681 CD2 LEU A 40 -1.441 2.859 6.788 1.00 0.00 C ATOM 0 H LEU A 40 -5.277 3.092 8.570 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.574 4.195 9.015 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.489 4.437 6.665 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.870 5.104 6.735 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.441 2.138 6.966 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.780 1.972 4.601 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.260 2.938 4.808 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.705 3.747 4.501 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.058 1.929 6.367 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.914 3.703 6.342 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.283 2.861 7.867 1.00 0.00 H new ATOM 693 N ASP A 41 -3.328 6.381 9.850 1.00 0.00 N ATOM 694 CA ASP A 41 -3.729 7.687 10.361 1.00 0.00 C ATOM 695 C ASP A 41 -3.965 8.674 9.219 1.00 0.00 C ATOM 696 O ASP A 41 -3.438 8.502 8.121 1.00 0.00 O ATOM 697 CB ASP A 41 -2.660 8.234 11.309 1.00 0.00 C ATOM 698 CG ASP A 41 -2.612 7.479 12.623 1.00 0.00 C ATOM 699 OD1 ASP A 41 -2.102 6.338 12.633 1.00 0.00 O ATOM 700 OD2 ASP A 41 -3.084 8.028 13.641 1.00 0.00 O ATOM 0 H ASP A 41 -2.403 6.077 10.152 1.00 0.00 H new ATOM 0 HA ASP A 41 -4.664 7.563 10.907 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.685 8.177 10.825 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -2.857 9.288 11.506 1.00 0.00 H new ATOM 705 N PRO A 42 -4.766 9.725 9.467 1.00 0.00 N ATOM 706 CA PRO A 42 -5.071 10.743 8.454 1.00 0.00 C ATOM 707 C PRO A 42 -3.861 11.606 8.109 1.00 0.00 C ATOM 708 O PRO A 42 -3.890 12.374 7.148 1.00 0.00 O ATOM 709 CB PRO A 42 -6.158 11.591 9.117 1.00 0.00 C ATOM 710 CG PRO A 42 -5.942 11.411 10.579 1.00 0.00 C ATOM 711 CD PRO A 42 -5.436 10.006 10.752 1.00 0.00 C ATOM 0 HA PRO A 42 -5.377 10.294 7.509 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -6.072 12.639 8.831 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -7.153 11.260 8.821 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -5.221 12.135 10.959 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -6.869 11.563 11.132 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.745 9.928 11.591 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -6.250 9.306 10.943 1.00 0.00 H new ATOM 719 N GLN A 43 -2.794 11.474 8.894 1.00 0.00 N ATOM 720 CA GLN A 43 -1.577 12.243 8.662 1.00 0.00 C ATOM 721 C GLN A 43 -0.632 11.513 7.707 1.00 0.00 C ATOM 722 O GLN A 43 0.524 11.903 7.550 1.00 0.00 O ATOM 723 CB GLN A 43 -0.863 12.519 9.988 1.00 0.00 C ATOM 724 CG GLN A 43 -0.618 11.268 10.817 1.00 0.00 C ATOM 725 CD GLN A 43 0.808 11.173 11.321 1.00 0.00 C ATOM 726 OE1 GLN A 43 1.052 11.154 12.528 1.00 0.00 O ATOM 727 NE2 GLN A 43 1.761 11.112 10.398 1.00 0.00 N ATOM 0 H GLN A 43 -2.749 10.843 9.694 1.00 0.00 H new ATOM 0 HA GLN A 43 -1.864 13.189 8.202 1.00 0.00 H new ATOM 0 HB2 GLN A 43 0.092 13.002 9.783 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.457 13.222 10.572 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -1.301 11.260 11.666 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -0.846 10.388 10.216 1.00 0.00 H new ATOM 0 HE21 GLN A 43 1.514 11.131 9.408 1.00 0.00 H new ATOM 0 HE22 GLN A 43 2.739 11.046 10.679 1.00 0.00 H new ATOM 736 N PHE A 44 -1.129 10.456 7.071 1.00 0.00 N ATOM 737 CA PHE A 44 -0.324 9.680 6.135 1.00 0.00 C ATOM 738 C PHE A 44 -0.416 10.250 4.720 1.00 0.00 C ATOM 739 O PHE A 44 0.120 9.671 3.775 1.00 0.00 O ATOM 740 CB PHE A 44 -0.778 8.218 6.136 1.00 0.00 C ATOM 741 CG PHE A 44 -0.202 7.404 7.261 1.00 0.00 C ATOM 742 CD1 PHE A 44 0.015 7.970 8.508 1.00 0.00 C ATOM 743 CD2 PHE A 44 0.121 6.071 7.070 1.00 0.00 C ATOM 744 CE1 PHE A 44 0.545 7.220 9.542 1.00 0.00 C ATOM 745 CE2 PHE A 44 0.651 5.317 8.100 1.00 0.00 C ATOM 746 CZ PHE A 44 0.863 5.893 9.338 1.00 0.00 C ATOM 0 H PHE A 44 -2.084 10.118 7.187 1.00 0.00 H new ATOM 0 HA PHE A 44 0.715 9.737 6.459 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -1.866 8.185 6.196 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.497 7.760 5.188 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -0.233 9.008 8.674 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -0.043 5.615 6.105 1.00 0.00 H new ATOM 0 HE1 PHE A 44 0.710 7.673 10.509 1.00 0.00 H new ATOM 0 HE2 PHE A 44 0.899 4.279 7.937 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.277 5.306 10.144 1.00 0.00 H new ATOM 756 N GLN A 45 -1.096 11.386 4.575 1.00 0.00 N ATOM 757 CA GLN A 45 -1.251 12.024 3.273 1.00 0.00 C ATOM 758 C GLN A 45 -2.038 11.131 2.320 1.00 0.00 C ATOM 759 O GLN A 45 -1.756 11.082 1.124 1.00 0.00 O ATOM 760 CB GLN A 45 0.119 12.350 2.673 1.00 0.00 C ATOM 761 CG GLN A 45 1.035 13.105 3.621 1.00 0.00 C ATOM 762 CD GLN A 45 2.503 12.890 3.307 1.00 0.00 C ATOM 763 OE1 GLN A 45 2.912 12.911 2.146 1.00 0.00 O ATOM 764 NE2 GLN A 45 3.306 12.682 4.345 1.00 0.00 N ATOM 0 H GLN A 45 -1.547 11.882 5.344 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.806 12.951 3.415 1.00 0.00 H new ATOM 0 HB2 GLN A 45 0.605 11.422 2.374 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -0.021 12.942 1.769 1.00 0.00 H new ATOM 0 HG2 GLN A 45 0.808 14.170 3.569 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.835 12.786 4.644 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.925 12.673 5.291 1.00 0.00 H new ATOM 0 HE22 GLN A 45 4.304 12.532 4.196 1.00 0.00 H new ATOM 773 N ASP A 46 -3.029 10.427 2.860 1.00 0.00 N ATOM 774 CA ASP A 46 -3.859 9.536 2.058 1.00 0.00 C ATOM 775 C ASP A 46 -4.937 10.318 1.316 1.00 0.00 C ATOM 776 O ASP A 46 -5.873 10.836 1.925 1.00 0.00 O ATOM 777 CB ASP A 46 -4.506 8.472 2.946 1.00 0.00 C ATOM 778 CG ASP A 46 -5.351 9.076 4.049 1.00 0.00 C ATOM 779 OD1 ASP A 46 -4.991 10.165 4.544 1.00 0.00 O ATOM 780 OD2 ASP A 46 -6.373 8.460 4.421 1.00 0.00 O ATOM 0 H ASP A 46 -3.276 10.457 3.849 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.219 9.047 1.323 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.127 7.819 2.332 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -3.728 7.849 3.388 1.00 0.00 H new ATOM 785 N HIS A 47 -4.799 10.400 -0.004 1.00 0.00 N ATOM 786 CA HIS A 47 -5.762 11.120 -0.829 1.00 0.00 C ATOM 787 C HIS A 47 -5.876 10.484 -2.210 1.00 0.00 C ATOM 788 O HIS A 47 -5.140 9.554 -2.541 1.00 0.00 O ATOM 789 CB HIS A 47 -5.355 12.588 -0.963 1.00 0.00 C ATOM 790 CG HIS A 47 -3.901 12.780 -1.266 1.00 0.00 C ATOM 791 ND1 HIS A 47 -3.206 13.920 -0.921 1.00 0.00 N ATOM 792 CD2 HIS A 47 -3.010 11.970 -1.885 1.00 0.00 C ATOM 793 CE1 HIS A 47 -1.950 13.802 -1.315 1.00 0.00 C ATOM 794 NE2 HIS A 47 -1.804 12.628 -1.901 1.00 0.00 N ATOM 0 H HIS A 47 -4.030 9.977 -0.524 1.00 0.00 H new ATOM 0 HA HIS A 47 -6.735 11.064 -0.341 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -5.947 13.050 -1.753 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -5.597 13.110 -0.037 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -3.210 10.989 -2.291 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -1.174 14.541 -1.180 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -0.937 12.268 -2.300 1.00 0.00 H new ATOM 803 N ALA A 48 -6.806 10.992 -3.014 1.00 0.00 N ATOM 804 CA ALA A 48 -7.017 10.474 -4.359 1.00 0.00 C ATOM 805 C ALA A 48 -6.194 11.250 -5.381 1.00 0.00 C ATOM 806 O ALA A 48 -6.245 12.480 -5.430 1.00 0.00 O ATOM 807 CB ALA A 48 -8.495 10.527 -4.718 1.00 0.00 C ATOM 0 H ALA A 48 -7.424 11.761 -2.756 1.00 0.00 H new ATOM 0 HA ALA A 48 -6.686 9.436 -4.379 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -8.639 10.137 -5.726 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.063 9.923 -4.011 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.843 11.559 -4.675 1.00 0.00 H new ATOM 813 N LEU A 49 -5.435 10.524 -6.195 1.00 0.00 N ATOM 814 CA LEU A 49 -4.600 11.143 -7.219 1.00 0.00 C ATOM 815 C LEU A 49 -5.435 11.544 -8.431 1.00 0.00 C ATOM 816 O LEU A 49 -6.664 11.545 -8.378 1.00 0.00 O ATOM 817 CB LEU A 49 -3.487 10.182 -7.641 1.00 0.00 C ATOM 818 CG LEU A 49 -2.736 9.513 -6.490 1.00 0.00 C ATOM 819 CD1 LEU A 49 -1.735 8.501 -7.025 1.00 0.00 C ATOM 820 CD2 LEU A 49 -2.037 10.558 -5.633 1.00 0.00 C ATOM 0 H LEU A 49 -5.381 9.506 -6.166 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.153 12.044 -6.799 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.919 9.405 -8.272 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.770 10.728 -8.253 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.457 8.985 -5.866 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.209 8.034 -6.192 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.261 7.736 -7.597 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.016 9.006 -7.670 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.507 10.065 -4.818 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.326 11.114 -6.244 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.776 11.245 -5.222 1.00 0.00 H new ATOM 832 N LYS A 50 -4.757 11.887 -9.524 1.00 0.00 N ATOM 833 CA LYS A 50 -5.439 12.290 -10.749 1.00 0.00 C ATOM 834 C LYS A 50 -4.892 11.527 -11.951 1.00 0.00 C ATOM 835 O LYS A 50 -3.825 10.917 -11.880 1.00 0.00 O ATOM 836 CB LYS A 50 -5.282 13.797 -10.971 1.00 0.00 C ATOM 837 CG LYS A 50 -5.825 14.639 -9.829 1.00 0.00 C ATOM 838 CD LYS A 50 -6.942 15.561 -10.294 1.00 0.00 C ATOM 839 CE LYS A 50 -7.225 16.653 -9.274 1.00 0.00 C ATOM 840 NZ LYS A 50 -8.069 16.158 -8.151 1.00 0.00 N ATOM 0 H LYS A 50 -3.739 11.894 -9.585 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.498 12.053 -10.643 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.226 14.027 -11.111 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.794 14.076 -11.892 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.197 13.986 -9.040 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.018 15.232 -9.398 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.668 16.014 -11.247 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.847 14.979 -10.466 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -6.283 17.034 -8.880 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.726 17.487 -9.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -8.239 16.932 -7.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -8.978 15.817 -8.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -7.580 15.379 -7.666 1.00 0.00 H new ATOM 854 N GLY A 51 -5.631 11.564 -13.057 1.00 0.00 N ATOM 855 CA GLY A 51 -5.205 10.872 -14.258 1.00 0.00 C ATOM 856 C GLY A 51 -5.497 9.384 -14.204 1.00 0.00 C ATOM 857 O GLY A 51 -6.643 8.975 -14.024 1.00 0.00 O ATOM 0 H GLY A 51 -6.517 12.062 -13.141 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.708 11.307 -15.122 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.135 11.024 -14.402 1.00 0.00 H new ATOM 861 N LYS A 52 -4.454 8.573 -14.359 1.00 0.00 N ATOM 862 CA LYS A 52 -4.603 7.123 -14.327 1.00 0.00 C ATOM 863 C LYS A 52 -4.878 6.637 -12.907 1.00 0.00 C ATOM 864 O LYS A 52 -5.552 5.626 -12.705 1.00 0.00 O ATOM 865 CB LYS A 52 -3.347 6.447 -14.878 1.00 0.00 C ATOM 866 CG LYS A 52 -3.618 5.099 -15.530 1.00 0.00 C ATOM 867 CD LYS A 52 -3.242 5.106 -17.003 1.00 0.00 C ATOM 868 CE LYS A 52 -1.735 5.094 -17.194 1.00 0.00 C ATOM 869 NZ LYS A 52 -1.308 5.986 -18.308 1.00 0.00 N ATOM 0 H LYS A 52 -3.498 8.896 -14.508 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.453 6.855 -14.954 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.880 7.107 -15.609 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.632 6.312 -14.067 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.053 4.324 -15.013 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.673 4.848 -15.424 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.679 4.237 -17.495 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.663 5.989 -17.483 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.250 5.409 -16.270 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.403 4.076 -17.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.273 5.949 -18.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.751 5.670 -19.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.602 6.962 -18.103 1.00 0.00 H new ATOM 883 N TRP A 53 -4.351 7.364 -11.927 1.00 0.00 N ATOM 884 CA TRP A 53 -4.539 7.007 -10.525 1.00 0.00 C ATOM 885 C TRP A 53 -5.663 7.827 -9.900 1.00 0.00 C ATOM 886 O TRP A 53 -5.670 8.072 -8.693 1.00 0.00 O ATOM 887 CB TRP A 53 -3.240 7.221 -9.746 1.00 0.00 C ATOM 888 CG TRP A 53 -2.034 6.654 -10.433 1.00 0.00 C ATOM 889 CD1 TRP A 53 -1.132 7.332 -11.200 1.00 0.00 C ATOM 890 CD2 TRP A 53 -1.601 5.288 -10.416 1.00 0.00 C ATOM 891 NE1 TRP A 53 -0.164 6.474 -11.661 1.00 0.00 N ATOM 892 CE2 TRP A 53 -0.429 5.214 -11.194 1.00 0.00 C ATOM 893 CE3 TRP A 53 -2.088 4.122 -9.818 1.00 0.00 C ATOM 894 CZ2 TRP A 53 0.261 4.019 -11.388 1.00 0.00 C ATOM 895 CZ3 TRP A 53 -1.402 2.937 -10.012 1.00 0.00 C ATOM 896 CH2 TRP A 53 -0.238 2.895 -10.790 1.00 0.00 C ATOM 0 H TRP A 53 -3.791 8.203 -12.077 1.00 0.00 H new ATOM 0 HA TRP A 53 -4.814 5.953 -10.477 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -3.091 8.289 -9.589 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -3.336 6.764 -8.761 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -1.173 8.390 -11.414 1.00 0.00 H new ATOM 0 HE1 TRP A 53 0.624 6.733 -12.255 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -2.984 4.146 -9.215 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 1.158 3.982 -11.989 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -1.770 2.029 -9.556 1.00 0.00 H new ATOM 0 HH2 TRP A 53 0.277 1.954 -10.920 1.00 0.00 H new ATOM 907 N LYS A 54 -6.611 8.254 -10.730 1.00 0.00 N ATOM 908 CA LYS A 54 -7.739 9.054 -10.263 1.00 0.00 C ATOM 909 C LYS A 54 -8.774 8.201 -9.529 1.00 0.00 C ATOM 910 O LYS A 54 -9.190 8.543 -8.423 1.00 0.00 O ATOM 911 CB LYS A 54 -8.400 9.773 -11.441 1.00 0.00 C ATOM 912 CG LYS A 54 -8.893 11.170 -11.100 1.00 0.00 C ATOM 913 CD LYS A 54 -10.405 11.209 -10.951 1.00 0.00 C ATOM 914 CE LYS A 54 -10.888 12.581 -10.510 1.00 0.00 C ATOM 915 NZ LYS A 54 -12.110 13.005 -11.249 1.00 0.00 N ATOM 0 H LYS A 54 -6.620 8.059 -11.731 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.351 9.789 -9.558 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.687 9.839 -12.263 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.240 9.176 -11.795 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -8.427 11.505 -10.173 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.586 11.866 -11.881 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -10.872 10.946 -11.900 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -10.719 10.461 -10.223 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.098 12.565 -9.441 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.096 13.313 -10.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -12.407 13.945 -10.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -11.903 13.045 -12.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -12.874 12.321 -11.078 1.00 0.00 H new ATOM 929 N PRO A 55 -9.215 7.078 -10.132 1.00 0.00 N ATOM 930 CA PRO A 55 -10.213 6.200 -9.513 1.00 0.00 C ATOM 931 C PRO A 55 -9.665 5.431 -8.311 1.00 0.00 C ATOM 932 O PRO A 55 -10.400 4.700 -7.648 1.00 0.00 O ATOM 933 CB PRO A 55 -10.592 5.237 -10.639 1.00 0.00 C ATOM 934 CG PRO A 55 -9.407 5.216 -11.540 1.00 0.00 C ATOM 935 CD PRO A 55 -8.786 6.584 -11.455 1.00 0.00 C ATOM 0 HA PRO A 55 -11.055 6.768 -9.117 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -10.811 4.242 -10.251 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -11.483 5.577 -11.166 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.698 4.448 -11.232 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -9.701 4.986 -12.564 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -7.700 6.537 -11.532 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.135 7.233 -12.258 1.00 0.00 H new ATOM 943 N PHE A 56 -8.374 5.599 -8.031 1.00 0.00 N ATOM 944 CA PHE A 56 -7.746 4.917 -6.903 1.00 0.00 C ATOM 945 C PHE A 56 -7.298 5.921 -5.846 1.00 0.00 C ATOM 946 O PHE A 56 -7.266 7.126 -6.094 1.00 0.00 O ATOM 947 CB PHE A 56 -6.553 4.089 -7.379 1.00 0.00 C ATOM 948 CG PHE A 56 -6.863 3.207 -8.555 1.00 0.00 C ATOM 949 CD1 PHE A 56 -7.441 1.961 -8.370 1.00 0.00 C ATOM 950 CD2 PHE A 56 -6.575 3.623 -9.844 1.00 0.00 C ATOM 951 CE1 PHE A 56 -7.727 1.148 -9.450 1.00 0.00 C ATOM 952 CE2 PHE A 56 -6.857 2.814 -10.928 1.00 0.00 C ATOM 953 CZ PHE A 56 -7.434 1.574 -10.731 1.00 0.00 C ATOM 0 H PHE A 56 -7.746 6.198 -8.567 1.00 0.00 H new ATOM 0 HA PHE A 56 -8.483 4.250 -6.456 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -5.738 4.762 -7.645 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.199 3.470 -6.555 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -7.670 1.622 -7.371 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -6.125 4.591 -10.004 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -8.179 0.180 -9.293 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -6.627 3.150 -11.928 1.00 0.00 H new ATOM 0 HZ PHE A 56 -7.655 0.939 -11.576 1.00 0.00 H new ATOM 963 N ARG A 57 -6.951 5.418 -4.665 1.00 0.00 N ATOM 964 CA ARG A 57 -6.504 6.272 -3.571 1.00 0.00 C ATOM 965 C ARG A 57 -5.063 5.958 -3.185 1.00 0.00 C ATOM 966 O ARG A 57 -4.652 4.796 -3.178 1.00 0.00 O ATOM 967 CB ARG A 57 -7.422 6.104 -2.357 1.00 0.00 C ATOM 968 CG ARG A 57 -7.023 6.963 -1.168 1.00 0.00 C ATOM 969 CD ARG A 57 -8.243 7.510 -0.443 1.00 0.00 C ATOM 970 NE ARG A 57 -8.691 8.780 -1.007 1.00 0.00 N ATOM 971 CZ ARG A 57 -9.858 9.351 -0.713 1.00 0.00 C ATOM 972 NH1 ARG A 57 -10.694 8.769 0.137 1.00 0.00 N ATOM 973 NH2 ARG A 57 -10.188 10.507 -1.271 1.00 0.00 N ATOM 0 H ARG A 57 -6.971 4.423 -4.442 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.549 7.307 -3.910 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.443 6.352 -2.647 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.422 5.057 -2.054 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.422 6.373 -0.477 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.399 7.790 -1.508 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.053 6.783 -0.498 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.007 7.645 0.613 1.00 0.00 H new ATOM 0 HE ARG A 57 -8.075 9.258 -1.664 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.445 7.879 0.569 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.586 9.211 0.358 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -9.549 10.959 -1.925 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -11.081 10.945 -1.047 1.00 0.00 H new ATOM 987 N GLU A 58 -4.301 6.999 -2.867 1.00 0.00 N ATOM 988 CA GLU A 58 -2.903 6.835 -2.483 1.00 0.00 C ATOM 989 C GLU A 58 -2.748 6.842 -0.965 1.00 0.00 C ATOM 990 O GLU A 58 -3.697 7.128 -0.234 1.00 0.00 O ATOM 991 CB GLU A 58 -2.051 7.946 -3.102 1.00 0.00 C ATOM 992 CG GLU A 58 -0.742 7.451 -3.696 1.00 0.00 C ATOM 993 CD GLU A 58 -0.948 6.548 -4.896 1.00 0.00 C ATOM 994 OE1 GLU A 58 -2.110 6.175 -5.168 1.00 0.00 O ATOM 995 OE2 GLU A 58 0.051 6.215 -5.566 1.00 0.00 O ATOM 0 H GLU A 58 -4.628 7.965 -2.867 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.560 5.871 -2.857 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.628 8.444 -3.881 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.834 8.694 -2.339 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.135 8.307 -3.991 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.182 6.911 -2.932 1.00 0.00 H new ATOM 1002 N CYS A 59 -1.544 6.530 -0.499 1.00 0.00 N ATOM 1003 CA CYS A 59 -1.258 6.500 0.929 1.00 0.00 C ATOM 1004 C CYS A 59 0.241 6.359 1.178 1.00 0.00 C ATOM 1005 O CYS A 59 0.869 5.402 0.722 1.00 0.00 O ATOM 1006 CB CYS A 59 -2.010 5.352 1.602 1.00 0.00 C ATOM 1007 SG CYS A 59 -2.219 5.552 3.386 1.00 0.00 S ATOM 0 H CYS A 59 -0.749 6.294 -1.092 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.595 7.443 1.361 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.993 5.256 1.140 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.476 4.421 1.412 1.00 0.00 H new ATOM 0 HG CYS A 59 -1.303 4.871 4.009 1.00 0.00 H new ATOM 1013 N HIS A 60 0.811 7.318 1.901 1.00 0.00 N ATOM 1014 CA HIS A 60 2.236 7.300 2.206 1.00 0.00 C ATOM 1015 C HIS A 60 2.486 6.817 3.631 1.00 0.00 C ATOM 1016 O HIS A 60 2.581 7.617 4.561 1.00 0.00 O ATOM 1017 CB HIS A 60 2.833 8.696 2.018 1.00 0.00 C ATOM 1018 CG HIS A 60 2.611 9.264 0.651 1.00 0.00 C ATOM 1019 ND1 HIS A 60 3.104 10.489 0.255 1.00 0.00 N ATOM 1020 CD2 HIS A 60 1.942 8.767 -0.417 1.00 0.00 C ATOM 1021 CE1 HIS A 60 2.748 10.722 -0.996 1.00 0.00 C ATOM 1022 NE2 HIS A 60 2.043 9.691 -1.427 1.00 0.00 N ATOM 0 H HIS A 60 0.307 8.117 2.286 1.00 0.00 H new ATOM 0 HA HIS A 60 2.720 6.606 1.519 1.00 0.00 H new ATOM 0 HB2 HIS A 60 2.400 9.370 2.757 1.00 0.00 H new ATOM 0 HB3 HIS A 60 3.904 8.653 2.215 1.00 0.00 H new ATOM 0 HD1 HIS A 60 3.657 11.118 0.837 1.00 0.00 H new ATOM 0 HD2 HIS A 60 1.425 7.820 -0.465 1.00 0.00 H new ATOM 0 HE1 HIS A 60 2.992 11.605 -1.569 1.00 0.00 H new ATOM 1031 N ILE A 61 2.597 5.502 3.794 1.00 0.00 N ATOM 1032 CA ILE A 61 2.842 4.914 5.105 1.00 0.00 C ATOM 1033 C ILE A 61 4.202 5.339 5.645 1.00 0.00 C ATOM 1034 O ILE A 61 4.315 5.817 6.774 1.00 0.00 O ATOM 1035 CB ILE A 61 2.786 3.375 5.050 1.00 0.00 C ATOM 1036 CG1 ILE A 61 1.520 2.916 4.325 1.00 0.00 C ATOM 1037 CG2 ILE A 61 2.844 2.790 6.453 1.00 0.00 C ATOM 1038 CD1 ILE A 61 1.751 2.539 2.878 1.00 0.00 C ATOM 0 H ILE A 61 2.521 4.825 3.035 1.00 0.00 H new ATOM 0 HA ILE A 61 2.056 5.275 5.768 1.00 0.00 H new ATOM 0 HB ILE A 61 3.651 3.014 4.494 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.101 2.059 4.852 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.777 3.713 4.370 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.803 1.702 6.396 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.773 3.093 6.936 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.997 3.155 7.034 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.809 2.224 2.429 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.141 3.400 2.336 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.469 1.721 2.825 1.00 0.00 H new ATOM 1050 N LYS A 62 5.231 5.163 4.826 1.00 0.00 N ATOM 1051 CA LYS A 62 6.592 5.525 5.205 1.00 0.00 C ATOM 1052 C LYS A 62 7.133 6.602 4.265 1.00 0.00 C ATOM 1053 O LYS A 62 6.535 6.874 3.223 1.00 0.00 O ATOM 1054 CB LYS A 62 7.500 4.289 5.172 1.00 0.00 C ATOM 1055 CG LYS A 62 6.781 2.992 5.514 1.00 0.00 C ATOM 1056 CD LYS A 62 6.354 2.960 6.973 1.00 0.00 C ATOM 1057 CE LYS A 62 7.554 2.871 7.903 1.00 0.00 C ATOM 1058 NZ LYS A 62 7.147 2.873 9.335 1.00 0.00 N ATOM 0 H LYS A 62 5.148 4.769 3.889 1.00 0.00 H new ATOM 0 HA LYS A 62 6.578 5.921 6.221 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.940 4.199 4.179 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.322 4.434 5.873 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.905 2.881 4.875 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.436 2.146 5.307 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.779 3.856 7.205 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.697 2.107 7.142 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.115 1.962 7.686 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.223 3.711 7.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.993 2.811 9.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.634 3.752 9.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.529 2.057 9.521 1.00 0.00 H new ATOM 1072 N PRO A 63 8.270 7.235 4.612 1.00 0.00 N ATOM 1073 CA PRO A 63 8.866 8.283 3.774 1.00 0.00 C ATOM 1074 C PRO A 63 9.474 7.738 2.484 1.00 0.00 C ATOM 1075 O PRO A 63 10.034 8.488 1.686 1.00 0.00 O ATOM 1076 CB PRO A 63 9.950 8.884 4.671 1.00 0.00 C ATOM 1077 CG PRO A 63 10.313 7.791 5.615 1.00 0.00 C ATOM 1078 CD PRO A 63 9.058 6.989 5.835 1.00 0.00 C ATOM 0 HA PRO A 63 8.120 9.005 3.442 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.813 9.205 4.087 1.00 0.00 H new ATOM 0 HB3 PRO A 63 9.581 9.760 5.204 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.106 7.167 5.202 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.685 8.197 6.556 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.277 5.929 5.964 1.00 0.00 H new ATOM 0 HD3 PRO A 63 8.525 7.316 6.728 1.00 0.00 H new ATOM 1086 N ASP A 64 9.353 6.431 2.281 1.00 0.00 N ATOM 1087 CA ASP A 64 9.882 5.786 1.087 1.00 0.00 C ATOM 1088 C ASP A 64 8.942 4.685 0.605 1.00 0.00 C ATOM 1089 O ASP A 64 9.364 3.742 -0.064 1.00 0.00 O ATOM 1090 CB ASP A 64 11.270 5.204 1.366 1.00 0.00 C ATOM 1091 CG ASP A 64 12.385 6.157 0.981 1.00 0.00 C ATOM 1092 OD1 ASP A 64 12.787 6.975 1.835 1.00 0.00 O ATOM 1093 OD2 ASP A 64 12.856 6.086 -0.173 1.00 0.00 O ATOM 0 H ASP A 64 8.891 5.796 2.932 1.00 0.00 H new ATOM 0 HA ASP A 64 9.965 6.539 0.303 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.353 4.961 2.425 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.387 4.271 0.815 1.00 0.00 H new ATOM 1098 N VAL A 65 7.662 4.811 0.949 1.00 0.00 N ATOM 1099 CA VAL A 65 6.660 3.827 0.552 1.00 0.00 C ATOM 1100 C VAL A 65 5.353 4.502 0.154 1.00 0.00 C ATOM 1101 O VAL A 65 5.007 5.564 0.670 1.00 0.00 O ATOM 1102 CB VAL A 65 6.378 2.820 1.683 1.00 0.00 C ATOM 1103 CG1 VAL A 65 5.405 1.747 1.218 1.00 0.00 C ATOM 1104 CG2 VAL A 65 7.672 2.195 2.174 1.00 0.00 C ATOM 0 H VAL A 65 7.295 5.586 1.502 1.00 0.00 H new ATOM 0 HA VAL A 65 7.068 3.293 -0.306 1.00 0.00 H new ATOM 0 HB VAL A 65 5.920 3.357 2.514 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.220 1.046 2.032 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.466 2.212 0.919 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.831 1.212 0.369 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.454 1.486 2.973 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.160 1.674 1.350 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.333 2.975 2.552 1.00 0.00 H new ATOM 1114 N LEU A 66 4.628 3.872 -0.764 1.00 0.00 N ATOM 1115 CA LEU A 66 3.355 4.404 -1.236 1.00 0.00 C ATOM 1116 C LEU A 66 2.385 3.276 -1.570 1.00 0.00 C ATOM 1117 O LEU A 66 2.489 2.646 -2.624 1.00 0.00 O ATOM 1118 CB LEU A 66 3.569 5.288 -2.468 1.00 0.00 C ATOM 1119 CG LEU A 66 4.844 6.132 -2.446 1.00 0.00 C ATOM 1120 CD1 LEU A 66 5.140 6.688 -3.830 1.00 0.00 C ATOM 1121 CD2 LEU A 66 4.719 7.259 -1.432 1.00 0.00 C ATOM 0 H LEU A 66 4.901 2.990 -1.197 1.00 0.00 H new ATOM 0 HA LEU A 66 2.925 5.007 -0.436 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.587 4.653 -3.353 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.712 5.954 -2.572 1.00 0.00 H new ATOM 0 HG LEU A 66 5.675 5.493 -2.149 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.051 7.286 -3.795 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.273 5.865 -4.532 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.308 7.312 -4.157 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.635 7.850 -1.430 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.877 7.897 -1.699 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.555 6.839 -0.440 1.00 0.00 H new ATOM 1133 N LEU A 67 1.443 3.023 -0.668 1.00 0.00 N ATOM 1134 CA LEU A 67 0.454 1.969 -0.870 1.00 0.00 C ATOM 1135 C LEU A 67 -0.829 2.533 -1.472 1.00 0.00 C ATOM 1136 O LEU A 67 -1.366 3.530 -0.992 1.00 0.00 O ATOM 1137 CB LEU A 67 0.141 1.270 0.458 1.00 0.00 C ATOM 1138 CG LEU A 67 -0.827 0.082 0.368 1.00 0.00 C ATOM 1139 CD1 LEU A 67 -2.250 0.558 0.122 1.00 0.00 C ATOM 1140 CD2 LEU A 67 -0.389 -0.889 -0.720 1.00 0.00 C ATOM 0 H LEU A 67 1.343 3.533 0.210 1.00 0.00 H new ATOM 0 HA LEU A 67 0.874 1.243 -1.566 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.077 0.921 0.894 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.277 2.005 1.146 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.806 -0.443 1.323 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.916 -0.303 0.062 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.564 1.204 0.942 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.291 1.114 -0.815 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.089 -1.723 -0.766 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.373 -0.375 -1.681 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.609 -1.265 -0.492 1.00 0.00 H new ATOM 1152 N VAL A 68 -1.322 1.875 -2.515 1.00 0.00 N ATOM 1153 CA VAL A 68 -2.551 2.296 -3.171 1.00 0.00 C ATOM 1154 C VAL A 68 -3.684 1.334 -2.841 1.00 0.00 C ATOM 1155 O VAL A 68 -3.678 0.180 -3.270 1.00 0.00 O ATOM 1156 CB VAL A 68 -2.376 2.389 -4.700 1.00 0.00 C ATOM 1157 CG1 VAL A 68 -3.701 2.702 -5.383 1.00 0.00 C ATOM 1158 CG2 VAL A 68 -1.335 3.438 -5.041 1.00 0.00 C ATOM 0 H VAL A 68 -0.888 1.047 -2.924 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.798 3.290 -2.797 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.033 1.422 -5.068 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.550 2.762 -6.461 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.420 1.913 -5.161 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.083 3.655 -5.017 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.218 3.496 -6.123 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.656 4.407 -4.658 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.382 3.166 -4.587 1.00 0.00 H new ATOM 1168 N TYR A 69 -4.644 1.815 -2.066 1.00 0.00 N ATOM 1169 CA TYR A 69 -5.780 0.997 -1.662 1.00 0.00 C ATOM 1170 C TYR A 69 -7.100 1.666 -2.037 1.00 0.00 C ATOM 1171 O TYR A 69 -7.143 2.866 -2.307 1.00 0.00 O ATOM 1172 CB TYR A 69 -5.728 0.734 -0.154 1.00 0.00 C ATOM 1173 CG TYR A 69 -6.020 1.957 0.689 1.00 0.00 C ATOM 1174 CD1 TYR A 69 -7.327 2.358 0.935 1.00 0.00 C ATOM 1175 CD2 TYR A 69 -4.989 2.709 1.237 1.00 0.00 C ATOM 1176 CE1 TYR A 69 -7.598 3.475 1.702 1.00 0.00 C ATOM 1177 CE2 TYR A 69 -5.252 3.826 2.006 1.00 0.00 C ATOM 1178 CZ TYR A 69 -6.557 4.205 2.235 1.00 0.00 C ATOM 1179 OH TYR A 69 -6.823 5.318 3.000 1.00 0.00 O ATOM 0 H TYR A 69 -4.660 2.768 -1.703 1.00 0.00 H new ATOM 0 HA TYR A 69 -5.721 0.046 -2.192 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -6.447 -0.047 0.094 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -4.740 0.353 0.105 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -8.145 1.787 0.520 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -3.965 2.416 1.059 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -8.620 3.775 1.883 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -4.439 4.400 2.426 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.980 5.718 3.300 1.00 0.00 H new ATOM 1189 N LEU A 70 -8.172 0.881 -2.050 1.00 0.00 N ATOM 1190 CA LEU A 70 -9.494 1.396 -2.392 1.00 0.00 C ATOM 1191 C LEU A 70 -10.459 1.234 -1.223 1.00 0.00 C ATOM 1192 O LEU A 70 -10.533 0.171 -0.606 1.00 0.00 O ATOM 1193 CB LEU A 70 -10.044 0.674 -3.625 1.00 0.00 C ATOM 1194 CG LEU A 70 -10.753 1.574 -4.638 1.00 0.00 C ATOM 1195 CD1 LEU A 70 -9.739 2.314 -5.497 1.00 0.00 C ATOM 1196 CD2 LEU A 70 -11.695 0.754 -5.509 1.00 0.00 C ATOM 0 H LEU A 70 -8.152 -0.114 -1.828 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.395 2.458 -2.616 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.221 0.165 -4.127 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -10.741 -0.096 -3.296 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.342 2.311 -4.092 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.262 2.949 -6.212 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.104 2.930 -4.861 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -9.123 1.593 -6.035 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.192 1.409 -6.225 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -11.126 -0.005 -6.046 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.443 0.270 -4.881 1.00 0.00 H new ATOM 1208 N VAL A 71 -11.199 2.297 -0.921 1.00 0.00 N ATOM 1209 CA VAL A 71 -12.160 2.272 0.174 1.00 0.00 C ATOM 1210 C VAL A 71 -13.397 1.471 -0.203 1.00 0.00 C ATOM 1211 O VAL A 71 -13.696 1.283 -1.382 1.00 0.00 O ATOM 1212 CB VAL A 71 -12.593 3.696 0.572 1.00 0.00 C ATOM 1213 CG1 VAL A 71 -13.202 4.423 -0.616 1.00 0.00 C ATOM 1214 CG2 VAL A 71 -13.566 3.659 1.741 1.00 0.00 C ATOM 0 H VAL A 71 -11.151 3.185 -1.420 1.00 0.00 H new ATOM 0 HA VAL A 71 -11.663 1.798 1.021 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.706 4.245 0.889 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -13.501 5.427 -0.314 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -12.467 4.489 -1.418 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -14.075 3.875 -0.969 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -13.858 4.676 2.004 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -14.451 3.089 1.460 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -13.087 3.186 2.598 1.00 0.00 H new ATOM 1224 N LYS A 72 -14.121 1.006 0.809 1.00 0.00 N ATOM 1225 CA LYS A 72 -15.330 0.234 0.580 1.00 0.00 C ATOM 1226 C LYS A 72 -16.229 0.254 1.814 1.00 0.00 C ATOM 1227 O LYS A 72 -15.833 0.736 2.874 1.00 0.00 O ATOM 1228 CB LYS A 72 -14.979 -1.208 0.208 1.00 0.00 C ATOM 1229 CG LYS A 72 -15.773 -1.743 -0.972 1.00 0.00 C ATOM 1230 CD LYS A 72 -15.238 -1.209 -2.293 1.00 0.00 C ATOM 1231 CE LYS A 72 -15.096 -2.316 -3.326 1.00 0.00 C ATOM 1232 NZ LYS A 72 -14.813 -1.777 -4.685 1.00 0.00 N ATOM 0 H LYS A 72 -13.890 1.151 1.792 1.00 0.00 H new ATOM 0 HA LYS A 72 -15.872 0.690 -0.248 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -13.916 -1.266 -0.024 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.152 -1.850 1.072 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -15.732 -2.832 -0.975 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -16.821 -1.464 -0.863 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -15.909 -0.439 -2.674 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -14.270 -0.736 -2.130 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -14.292 -2.989 -3.028 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -16.012 -2.906 -3.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -14.824 -2.554 -5.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -15.539 -1.077 -4.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -13.878 -1.323 -4.690 1.00 0.00 H new ATOM 1246 N ASP A 73 -17.442 -0.272 1.667 1.00 0.00 N ATOM 1247 CA ASP A 73 -18.393 -0.312 2.771 1.00 0.00 C ATOM 1248 C ASP A 73 -17.831 -1.101 3.947 1.00 0.00 C ATOM 1249 O ASP A 73 -17.852 -2.332 3.951 1.00 0.00 O ATOM 1250 CB ASP A 73 -19.715 -0.928 2.318 1.00 0.00 C ATOM 1251 CG ASP A 73 -19.519 -2.211 1.534 1.00 0.00 C ATOM 1252 OD1 ASP A 73 -18.933 -2.150 0.432 1.00 0.00 O ATOM 1253 OD2 ASP A 73 -19.951 -3.277 2.021 1.00 0.00 O ATOM 0 H ASP A 73 -17.788 -0.675 0.796 1.00 0.00 H new ATOM 0 HA ASP A 73 -18.572 0.713 3.095 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -20.336 -1.131 3.191 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -20.255 -0.209 1.702 1.00 0.00 H new ATOM 1258 N ASP A 74 -17.325 -0.381 4.942 1.00 0.00 N ATOM 1259 CA ASP A 74 -16.752 -1.006 6.130 1.00 0.00 C ATOM 1260 C ASP A 74 -15.692 -2.043 5.754 1.00 0.00 C ATOM 1261 O ASP A 74 -15.413 -2.962 6.524 1.00 0.00 O ATOM 1262 CB ASP A 74 -17.852 -1.663 6.965 1.00 0.00 C ATOM 1263 CG ASP A 74 -17.702 -1.376 8.446 1.00 0.00 C ATOM 1264 OD1 ASP A 74 -16.650 -1.731 9.017 1.00 0.00 O ATOM 1265 OD2 ASP A 74 -18.638 -0.794 9.036 1.00 0.00 O ATOM 0 H ASP A 74 -17.300 0.639 4.950 1.00 0.00 H new ATOM 0 HA ASP A 74 -16.271 -0.226 6.720 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -18.824 -1.306 6.625 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -17.833 -2.741 6.803 1.00 0.00 H new ATOM 1270 N GLU A 75 -15.107 -1.888 4.570 1.00 0.00 N ATOM 1271 CA GLU A 75 -14.081 -2.811 4.097 1.00 0.00 C ATOM 1272 C GLU A 75 -13.077 -2.093 3.200 1.00 0.00 C ATOM 1273 O GLU A 75 -13.431 -1.160 2.478 1.00 0.00 O ATOM 1274 CB GLU A 75 -14.723 -3.971 3.332 1.00 0.00 C ATOM 1275 CG GLU A 75 -15.191 -5.109 4.224 1.00 0.00 C ATOM 1276 CD GLU A 75 -16.538 -5.665 3.803 1.00 0.00 C ATOM 1277 OE1 GLU A 75 -17.344 -4.899 3.234 1.00 0.00 O ATOM 1278 OE2 GLU A 75 -16.787 -6.864 4.044 1.00 0.00 O ATOM 0 H GLU A 75 -15.326 -1.132 3.921 1.00 0.00 H new ATOM 0 HA GLU A 75 -13.552 -3.204 4.965 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -15.573 -3.593 2.764 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -14.005 -4.359 2.610 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -14.450 -5.908 4.205 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -15.253 -4.756 5.254 1.00 0.00 H new ATOM 1285 N LEU A 76 -11.825 -2.534 3.250 1.00 0.00 N ATOM 1286 CA LEU A 76 -10.770 -1.934 2.440 1.00 0.00 C ATOM 1287 C LEU A 76 -10.132 -2.971 1.522 1.00 0.00 C ATOM 1288 O LEU A 76 -10.105 -4.161 1.839 1.00 0.00 O ATOM 1289 CB LEU A 76 -9.702 -1.307 3.338 1.00 0.00 C ATOM 1290 CG LEU A 76 -8.905 -0.168 2.695 1.00 0.00 C ATOM 1291 CD1 LEU A 76 -9.368 1.179 3.230 1.00 0.00 C ATOM 1292 CD2 LEU A 76 -7.414 -0.355 2.936 1.00 0.00 C ATOM 0 H LEU A 76 -11.515 -3.304 3.842 1.00 0.00 H new ATOM 0 HA LEU A 76 -11.219 -1.156 1.823 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -10.183 -0.930 4.241 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.007 -2.087 3.649 1.00 0.00 H new ATOM 0 HG LEU A 76 -9.084 -0.190 1.620 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -8.790 1.975 2.761 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -10.425 1.317 3.003 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -9.221 1.212 4.310 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.865 0.464 2.472 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.217 -0.362 4.008 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -7.091 -1.301 2.501 1.00 0.00 H new ATOM 1304 N ILE A 77 -9.622 -2.514 0.384 1.00 0.00 N ATOM 1305 CA ILE A 77 -8.987 -3.405 -0.579 1.00 0.00 C ATOM 1306 C ILE A 77 -7.656 -2.837 -1.065 1.00 0.00 C ATOM 1307 O ILE A 77 -7.573 -1.673 -1.458 1.00 0.00 O ATOM 1308 CB ILE A 77 -9.900 -3.666 -1.794 1.00 0.00 C ATOM 1309 CG1 ILE A 77 -10.086 -2.387 -2.614 1.00 0.00 C ATOM 1310 CG2 ILE A 77 -11.248 -4.204 -1.334 1.00 0.00 C ATOM 1311 CD1 ILE A 77 -9.140 -2.282 -3.791 1.00 0.00 C ATOM 0 H ILE A 77 -9.636 -1.533 0.106 1.00 0.00 H new ATOM 0 HA ILE A 77 -8.807 -4.348 -0.063 1.00 0.00 H new ATOM 0 HB ILE A 77 -9.424 -4.413 -2.430 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -11.113 -2.344 -2.978 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -9.942 -1.524 -1.964 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -11.883 -4.384 -2.201 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -11.101 -5.138 -0.792 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -11.726 -3.476 -0.679 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -9.328 -1.352 -4.327 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -8.111 -2.293 -3.433 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -9.299 -3.126 -4.462 1.00 0.00 H new ATOM 1323 N LEU A 78 -6.618 -3.666 -1.037 1.00 0.00 N ATOM 1324 CA LEU A 78 -5.292 -3.247 -1.476 1.00 0.00 C ATOM 1325 C LEU A 78 -5.186 -3.292 -2.998 1.00 0.00 C ATOM 1326 O LEU A 78 -5.439 -4.326 -3.616 1.00 0.00 O ATOM 1327 CB LEU A 78 -4.219 -4.140 -0.852 1.00 0.00 C ATOM 1328 CG LEU A 78 -4.021 -3.959 0.654 1.00 0.00 C ATOM 1329 CD1 LEU A 78 -2.941 -4.899 1.167 1.00 0.00 C ATOM 1330 CD2 LEU A 78 -3.668 -2.513 0.974 1.00 0.00 C ATOM 0 H LEU A 78 -6.669 -4.632 -0.715 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.134 -2.220 -1.148 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.476 -5.181 -1.047 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.271 -3.947 -1.353 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.956 -4.205 1.157 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.814 -4.756 2.240 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.233 -5.931 0.970 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.001 -4.685 0.659 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.531 -2.401 2.050 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.746 -2.241 0.460 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.475 -1.859 0.642 1.00 0.00 H new ATOM 1342 N LEU A 79 -4.812 -2.166 -3.596 1.00 0.00 N ATOM 1343 CA LEU A 79 -4.674 -2.081 -5.045 1.00 0.00 C ATOM 1344 C LEU A 79 -3.279 -2.511 -5.485 1.00 0.00 C ATOM 1345 O LEU A 79 -3.123 -3.494 -6.210 1.00 0.00 O ATOM 1346 CB LEU A 79 -4.960 -0.655 -5.524 1.00 0.00 C ATOM 1347 CG LEU A 79 -5.915 -0.552 -6.716 1.00 0.00 C ATOM 1348 CD1 LEU A 79 -5.427 -1.418 -7.867 1.00 0.00 C ATOM 1349 CD2 LEU A 79 -7.324 -0.952 -6.305 1.00 0.00 C ATOM 0 H LEU A 79 -4.599 -1.300 -3.100 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.400 -2.758 -5.495 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.377 -0.086 -4.693 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.016 -0.182 -5.792 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.936 0.485 -7.052 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.118 -1.332 -8.705 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.437 -1.086 -8.178 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.376 -2.458 -7.544 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.990 -0.873 -7.164 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -7.319 -1.980 -5.943 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.674 -0.290 -5.513 1.00 0.00 H new ATOM 1361 N ARG A 80 -2.265 -1.771 -5.046 1.00 0.00 N ATOM 1362 CA ARG A 80 -0.886 -2.083 -5.400 1.00 0.00 C ATOM 1363 C ARG A 80 0.097 -1.306 -4.529 1.00 0.00 C ATOM 1364 O ARG A 80 -0.267 -0.320 -3.890 1.00 0.00 O ATOM 1365 CB ARG A 80 -0.635 -1.773 -6.876 1.00 0.00 C ATOM 1366 CG ARG A 80 -0.737 -0.294 -7.216 1.00 0.00 C ATOM 1367 CD ARG A 80 0.622 0.296 -7.561 1.00 0.00 C ATOM 1368 NE ARG A 80 1.271 -0.428 -8.652 1.00 0.00 N ATOM 1369 CZ ARG A 80 2.564 -0.317 -8.949 1.00 0.00 C ATOM 1370 NH1 ARG A 80 3.350 0.485 -8.239 1.00 0.00 N ATOM 1371 NH2 ARG A 80 3.074 -1.010 -9.957 1.00 0.00 N ATOM 0 H ARG A 80 -2.373 -0.953 -4.446 1.00 0.00 H new ATOM 0 HA ARG A 80 -0.728 -3.147 -5.226 1.00 0.00 H new ATOM 0 HB2 ARG A 80 0.357 -2.132 -7.150 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -1.353 -2.326 -7.482 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -1.417 -0.159 -8.057 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -1.165 0.246 -6.371 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.503 1.343 -7.841 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.262 0.273 -6.679 1.00 0.00 H new ATOM 0 HE ARG A 80 0.700 -1.055 -9.219 1.00 0.00 H new ATOM 0 HH11 ARG A 80 2.964 1.020 -7.461 1.00 0.00 H new ATOM 0 HH12 ARG A 80 4.340 0.566 -8.472 1.00 0.00 H new ATOM 0 HH21 ARG A 80 2.476 -1.628 -10.505 1.00 0.00 H new ATOM 0 HH22 ARG A 80 4.065 -0.925 -10.185 1.00 0.00 H new ATOM 1385 N LEU A 81 1.345 -1.763 -4.512 1.00 0.00 N ATOM 1386 CA LEU A 81 2.389 -1.120 -3.723 1.00 0.00 C ATOM 1387 C LEU A 81 3.326 -0.313 -4.618 1.00 0.00 C ATOM 1388 O LEU A 81 3.635 -0.721 -5.738 1.00 0.00 O ATOM 1389 CB LEU A 81 3.183 -2.172 -2.945 1.00 0.00 C ATOM 1390 CG LEU A 81 4.115 -1.624 -1.861 1.00 0.00 C ATOM 1391 CD1 LEU A 81 5.319 -0.933 -2.484 1.00 0.00 C ATOM 1392 CD2 LEU A 81 3.365 -0.669 -0.943 1.00 0.00 C ATOM 0 H LEU A 81 1.658 -2.579 -5.038 1.00 0.00 H new ATOM 0 HA LEU A 81 1.915 -0.437 -3.018 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.480 -2.863 -2.480 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.777 -2.750 -3.652 1.00 0.00 H new ATOM 0 HG LEU A 81 4.475 -2.463 -1.265 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.968 -0.551 -1.696 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.872 -1.646 -3.095 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.981 -0.106 -3.108 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.044 -0.290 -0.179 1.00 0.00 H new ATOM 0 HD22 LEU A 81 2.974 0.164 -1.526 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.540 -1.197 -0.465 1.00 0.00 H new ATOM 1404 N GLY A 82 3.777 0.831 -4.115 1.00 0.00 N ATOM 1405 CA GLY A 82 4.676 1.676 -4.879 1.00 0.00 C ATOM 1406 C GLY A 82 5.661 2.417 -3.999 1.00 0.00 C ATOM 1407 O GLY A 82 5.613 2.307 -2.774 1.00 0.00 O ATOM 0 H GLY A 82 3.536 1.189 -3.191 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.223 1.064 -5.596 1.00 0.00 H new ATOM 0 HA3 GLY A 82 4.093 2.396 -5.453 1.00 0.00 H new ATOM 1411 N SER A 83 6.557 3.176 -4.622 1.00 0.00 N ATOM 1412 CA SER A 83 7.558 3.938 -3.883 1.00 0.00 C ATOM 1413 C SER A 83 7.817 5.286 -4.546 1.00 0.00 C ATOM 1414 O SER A 83 7.337 5.550 -5.650 1.00 0.00 O ATOM 1415 CB SER A 83 8.862 3.144 -3.786 1.00 0.00 C ATOM 1416 OG SER A 83 8.900 2.367 -2.602 1.00 0.00 O ATOM 0 H SER A 83 6.611 3.280 -5.635 1.00 0.00 H new ATOM 0 HA SER A 83 7.174 4.118 -2.879 1.00 0.00 H new ATOM 0 HB2 SER A 83 8.960 2.493 -4.655 1.00 0.00 H new ATOM 0 HB3 SER A 83 9.710 3.828 -3.803 1.00 0.00 H new ATOM 0 HG SER A 83 9.063 2.951 -1.832 1.00 0.00 H new ATOM 1422 N HIS A 84 8.582 6.135 -3.867 1.00 0.00 N ATOM 1423 CA HIS A 84 8.908 7.456 -4.390 1.00 0.00 C ATOM 1424 C HIS A 84 9.661 7.348 -5.712 1.00 0.00 C ATOM 1425 O HIS A 84 9.569 8.232 -6.564 1.00 0.00 O ATOM 1426 CB HIS A 84 9.746 8.235 -3.376 1.00 0.00 C ATOM 1427 CG HIS A 84 9.548 9.717 -3.445 1.00 0.00 C ATOM 1428 ND1 HIS A 84 9.537 10.421 -4.631 1.00 0.00 N ATOM 1429 CD2 HIS A 84 9.350 10.632 -2.466 1.00 0.00 C ATOM 1430 CE1 HIS A 84 9.342 11.703 -4.378 1.00 0.00 C ATOM 1431 NE2 HIS A 84 9.225 11.857 -3.074 1.00 0.00 N ATOM 0 H HIS A 84 8.987 5.931 -2.953 1.00 0.00 H new ATOM 0 HA HIS A 84 7.974 7.990 -4.567 1.00 0.00 H new ATOM 0 HB2 HIS A 84 9.498 7.890 -2.372 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.800 8.010 -3.539 1.00 0.00 H new ATOM 0 HD1 HIS A 84 9.660 10.015 -5.559 1.00 0.00 H new ATOM 0 HD2 HIS A 84 9.300 10.435 -1.405 1.00 0.00 H new ATOM 0 HE1 HIS A 84 9.288 12.491 -5.115 1.00 0.00 H new ATOM 1440 N SER A 85 10.403 6.260 -5.878 1.00 0.00 N ATOM 1441 CA SER A 85 11.171 6.036 -7.097 1.00 0.00 C ATOM 1442 C SER A 85 10.336 5.304 -8.144 1.00 0.00 C ATOM 1443 O SER A 85 10.591 5.416 -9.343 1.00 0.00 O ATOM 1444 CB SER A 85 12.437 5.233 -6.788 1.00 0.00 C ATOM 1445 OG SER A 85 13.394 5.371 -7.822 1.00 0.00 O ATOM 0 H SER A 85 10.489 5.518 -5.183 1.00 0.00 H new ATOM 0 HA SER A 85 11.453 7.009 -7.499 1.00 0.00 H new ATOM 0 HB2 SER A 85 12.865 5.572 -5.845 1.00 0.00 H new ATOM 0 HB3 SER A 85 12.182 4.181 -6.662 1.00 0.00 H new ATOM 0 HG SER A 85 14.193 4.850 -7.599 1.00 0.00 H new ATOM 1451 N GLU A 86 9.339 4.554 -7.684 1.00 0.00 N ATOM 1452 CA GLU A 86 8.470 3.803 -8.582 1.00 0.00 C ATOM 1453 C GLU A 86 7.364 4.694 -9.144 1.00 0.00 C ATOM 1454 O GLU A 86 7.342 4.994 -10.338 1.00 0.00 O ATOM 1455 CB GLU A 86 7.857 2.606 -7.851 1.00 0.00 C ATOM 1456 CG GLU A 86 7.974 1.300 -8.620 1.00 0.00 C ATOM 1457 CD GLU A 86 6.670 0.891 -9.277 1.00 0.00 C ATOM 1458 OE1 GLU A 86 5.956 1.782 -9.783 1.00 0.00 O ATOM 1459 OE2 GLU A 86 6.365 -0.320 -9.287 1.00 0.00 O ATOM 0 H GLU A 86 9.113 4.451 -6.695 1.00 0.00 H new ATOM 0 HA GLU A 86 9.075 3.441 -9.413 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.345 2.493 -6.883 1.00 0.00 H new ATOM 0 HB3 GLU A 86 6.804 2.810 -7.656 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.745 1.400 -9.384 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.298 0.511 -7.941 1.00 0.00 H new ATOM 1466 N LEU A 87 6.449 5.110 -8.275 1.00 0.00 N ATOM 1467 CA LEU A 87 5.341 5.965 -8.683 1.00 0.00 C ATOM 1468 C LEU A 87 5.830 7.367 -9.030 1.00 0.00 C ATOM 1469 O LEU A 87 5.351 7.984 -9.983 1.00 0.00 O ATOM 1470 CB LEU A 87 4.291 6.039 -7.574 1.00 0.00 C ATOM 1471 CG LEU A 87 3.920 4.695 -6.941 1.00 0.00 C ATOM 1472 CD1 LEU A 87 2.911 4.895 -5.820 1.00 0.00 C ATOM 1473 CD2 LEU A 87 3.373 3.742 -7.994 1.00 0.00 C ATOM 0 H LEU A 87 6.453 4.869 -7.284 1.00 0.00 H new ATOM 0 HA LEU A 87 4.890 5.528 -9.574 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.658 6.703 -6.791 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.387 6.494 -7.980 1.00 0.00 H new ATOM 0 HG LEU A 87 4.821 4.253 -6.516 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.658 3.930 -5.381 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.341 5.540 -5.054 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.009 5.359 -6.220 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.115 2.792 -7.526 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.483 4.176 -8.450 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.129 3.575 -8.761 1.00 0.00 H new ATOM 1485 N PHE A 88 6.785 7.865 -8.253 1.00 0.00 N ATOM 1486 CA PHE A 88 7.338 9.196 -8.480 1.00 0.00 C ATOM 1487 C PHE A 88 8.757 9.108 -9.031 1.00 0.00 C ATOM 1488 O PHE A 88 9.187 7.990 -9.384 1.00 0.00 O ATOM 1489 CB PHE A 88 7.332 10.001 -7.180 1.00 0.00 C ATOM 1490 CG PHE A 88 5.982 10.553 -6.822 1.00 0.00 C ATOM 1491 CD1 PHE A 88 4.975 9.718 -6.366 1.00 0.00 C ATOM 1492 CD2 PHE A 88 5.719 11.909 -6.942 1.00 0.00 C ATOM 1493 CE1 PHE A 88 3.732 10.224 -6.035 1.00 0.00 C ATOM 1494 CE2 PHE A 88 4.478 12.421 -6.614 1.00 0.00 C ATOM 1495 CZ PHE A 88 3.483 11.576 -6.160 1.00 0.00 C ATOM 1496 OXT PHE A 88 9.427 10.161 -9.107 1.00 0.00 O ATOM 0 H PHE A 88 7.192 7.368 -7.461 1.00 0.00 H new ATOM 0 HA PHE A 88 6.713 9.702 -9.216 1.00 0.00 H new ATOM 0 HB2 PHE A 88 7.683 9.365 -6.367 1.00 0.00 H new ATOM 0 HB3 PHE A 88 8.040 10.825 -7.269 1.00 0.00 H new ATOM 0 HD1 PHE A 88 5.163 8.659 -6.268 1.00 0.00 H new ATOM 0 HD2 PHE A 88 6.493 12.573 -7.296 1.00 0.00 H new ATOM 0 HE1 PHE A 88 2.956 9.562 -5.679 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.286 13.479 -6.712 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.512 11.973 -5.903 1.00 0.00 H new