USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 752 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 11 SER OG : rot -108:sc= -1.71! USER MOD Set 1.2: A 13 HIS : no HE2:sc= 0.693 K(o=-1,f=-11!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc= 1.06 (180deg=0.4) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.656 K(o=-0.66,f=-1.6!) USER MOD Single : A 16 HIS : no HD1:sc= -5.9! C(o=-5.9!,f=-6.7!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 125:sc= 0.879! USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot -174:sc= -0.957 USER MOD Single : A 43 LYS NZ :NH3+ -148:sc= -0.149 (180deg=-0.828) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -133:sc=-0.00279 (180deg=-0.196) USER MOD Single : A 58 TYR OH : rot -125:sc= 0.419 USER MOD Single : A 61 SER OG : rot 96:sc= 0.0212 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 67 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.806 X(o=-0.81,f=-0.33) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.106 12.237 -6.688 1.00 0.00 N ATOM 2 CA MET A 1 -7.830 11.040 -7.205 1.00 0.00 C ATOM 3 C MET A 1 -7.417 9.792 -6.420 1.00 0.00 C ATOM 4 O MET A 1 -6.306 9.689 -5.940 1.00 0.00 O ATOM 5 CB MET A 1 -7.400 10.920 -8.667 1.00 0.00 C ATOM 6 CG MET A 1 -8.615 11.117 -9.576 1.00 0.00 C ATOM 7 SD MET A 1 -8.752 12.863 -10.028 1.00 0.00 S ATOM 8 CE MET A 1 -8.726 12.635 -11.823 1.00 0.00 C ATOM 0 H1 MET A 1 -7.535 13.099 -7.081 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.170 12.260 -5.650 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.107 12.188 -6.972 1.00 0.00 H new ATOM 0 HA MET A 1 -8.911 11.135 -7.104 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.638 11.665 -8.895 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.953 9.942 -8.846 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.515 10.505 -10.472 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.521 10.790 -9.066 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.801 13.605 -12.314 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.794 12.152 -12.115 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.568 12.011 -12.123 1.00 0.00 H new ATOM 20 N VAL A 2 -8.302 8.844 -6.287 1.00 0.00 N ATOM 21 CA VAL A 2 -7.956 7.604 -5.532 1.00 0.00 C ATOM 22 C VAL A 2 -6.877 6.815 -6.277 1.00 0.00 C ATOM 23 O VAL A 2 -7.157 6.088 -7.208 1.00 0.00 O ATOM 24 CB VAL A 2 -9.255 6.800 -5.467 1.00 0.00 C ATOM 25 CG1 VAL A 2 -9.025 5.525 -4.654 1.00 0.00 C ATOM 26 CG2 VAL A 2 -10.343 7.642 -4.796 1.00 0.00 C ATOM 0 H VAL A 2 -9.248 8.872 -6.667 1.00 0.00 H new ATOM 0 HA VAL A 2 -7.563 7.824 -4.539 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.570 6.536 -6.477 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -9.951 4.951 -4.607 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -8.250 4.925 -5.130 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -8.710 5.789 -3.644 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -11.269 7.069 -4.749 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -10.028 7.906 -3.786 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.507 8.551 -5.374 1.00 0.00 H new ATOM 36 N LYS A 3 -5.645 6.954 -5.872 1.00 0.00 N ATOM 37 CA LYS A 3 -4.547 6.213 -6.555 1.00 0.00 C ATOM 38 C LYS A 3 -3.559 5.668 -5.523 1.00 0.00 C ATOM 39 O LYS A 3 -3.139 6.369 -4.624 1.00 0.00 O ATOM 40 CB LYS A 3 -3.865 7.253 -7.445 1.00 0.00 C ATOM 41 CG LYS A 3 -4.802 7.646 -8.587 1.00 0.00 C ATOM 42 CD LYS A 3 -4.012 8.397 -9.659 1.00 0.00 C ATOM 43 CE LYS A 3 -3.491 7.404 -10.700 1.00 0.00 C ATOM 44 NZ LYS A 3 -2.437 8.147 -11.445 1.00 0.00 N ATOM 0 H LYS A 3 -5.351 7.549 -5.097 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.916 5.361 -7.127 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.603 8.133 -6.858 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.936 6.849 -7.847 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -5.263 6.756 -9.016 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.610 8.273 -8.209 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -4.647 9.142 -10.138 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -3.179 8.933 -9.203 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.084 6.511 -10.225 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -4.289 7.075 -11.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -2.031 7.531 -12.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -2.855 8.988 -11.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.688 8.441 -10.786 1.00 0.00 H new ATOM 58 N ILE A 4 -3.178 4.426 -5.645 1.00 0.00 N ATOM 59 CA ILE A 4 -2.214 3.855 -4.674 1.00 0.00 C ATOM 60 C ILE A 4 -0.846 3.710 -5.334 1.00 0.00 C ATOM 61 O ILE A 4 -0.725 3.230 -6.443 1.00 0.00 O ATOM 62 CB ILE A 4 -2.792 2.504 -4.274 1.00 0.00 C ATOM 63 CG1 ILE A 4 -4.051 2.735 -3.443 1.00 0.00 C ATOM 64 CG2 ILE A 4 -1.772 1.717 -3.445 1.00 0.00 C ATOM 65 CD1 ILE A 4 -4.746 1.401 -3.204 1.00 0.00 C ATOM 0 H ILE A 4 -3.494 3.787 -6.374 1.00 0.00 H new ATOM 0 HA ILE A 4 -2.073 4.489 -3.798 1.00 0.00 H new ATOM 0 HB ILE A 4 -3.032 1.932 -5.170 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.793 3.200 -2.491 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.722 3.420 -3.961 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -2.197 0.753 -3.165 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.869 1.558 -4.034 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.523 2.279 -2.545 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.646 1.561 -2.611 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -5.017 0.955 -4.161 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -4.073 0.731 -2.669 1.00 0.00 H new ATOM 77 N ARG A 5 0.185 4.131 -4.663 1.00 0.00 N ATOM 78 CA ARG A 5 1.540 4.031 -5.247 1.00 0.00 C ATOM 79 C ARG A 5 2.575 3.888 -4.138 1.00 0.00 C ATOM 80 O ARG A 5 2.264 3.995 -2.968 1.00 0.00 O ATOM 81 CB ARG A 5 1.745 5.342 -6.012 1.00 0.00 C ATOM 82 CG ARG A 5 1.736 6.521 -5.034 1.00 0.00 C ATOM 83 CD ARG A 5 3.143 7.121 -4.943 1.00 0.00 C ATOM 84 NE ARG A 5 3.163 8.219 -5.955 1.00 0.00 N ATOM 85 CZ ARG A 5 2.639 9.393 -5.687 1.00 0.00 C ATOM 86 NH1 ARG A 5 2.059 9.627 -4.536 1.00 0.00 N ATOM 87 NH2 ARG A 5 2.693 10.339 -6.583 1.00 0.00 N ATOM 0 H ARG A 5 0.144 4.542 -3.730 1.00 0.00 H new ATOM 0 HA ARG A 5 1.648 3.164 -5.898 1.00 0.00 H new ATOM 0 HB2 ARG A 5 2.691 5.314 -6.553 1.00 0.00 H new ATOM 0 HB3 ARG A 5 0.957 5.468 -6.754 1.00 0.00 H new ATOM 0 HG2 ARG A 5 1.027 7.279 -5.368 1.00 0.00 H new ATOM 0 HG3 ARG A 5 1.407 6.188 -4.050 1.00 0.00 H new ATOM 0 HD2 ARG A 5 3.345 7.503 -3.942 1.00 0.00 H new ATOM 0 HD3 ARG A 5 3.906 6.372 -5.158 1.00 0.00 H new ATOM 0 HE ARG A 5 3.590 8.055 -6.867 1.00 0.00 H new ATOM 0 HH11 ARG A 5 2.009 8.891 -3.831 1.00 0.00 H new ATOM 0 HH12 ARG A 5 1.657 10.545 -4.345 1.00 0.00 H new ATOM 0 HH21 ARG A 5 3.140 10.164 -7.483 1.00 0.00 H new ATOM 0 HH22 ARG A 5 2.289 11.254 -6.384 1.00 0.00 H new ATOM 101 N LEU A 6 3.807 3.675 -4.491 1.00 0.00 N ATOM 102 CA LEU A 6 4.856 3.554 -3.444 1.00 0.00 C ATOM 103 C LEU A 6 5.425 4.943 -3.142 1.00 0.00 C ATOM 104 O LEU A 6 5.791 5.687 -4.031 1.00 0.00 O ATOM 105 CB LEU A 6 5.927 2.618 -4.018 1.00 0.00 C ATOM 106 CG LEU A 6 6.451 3.150 -5.353 1.00 0.00 C ATOM 107 CD1 LEU A 6 7.880 3.662 -5.176 1.00 0.00 C ATOM 108 CD2 LEU A 6 6.442 2.020 -6.383 1.00 0.00 C ATOM 0 H LEU A 6 4.134 3.580 -5.453 1.00 0.00 H new ATOM 0 HA LEU A 6 4.469 3.152 -2.508 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.751 2.523 -3.310 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.509 1.621 -4.157 1.00 0.00 H new ATOM 0 HG LEU A 6 5.814 3.966 -5.695 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.251 4.041 -6.128 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.890 4.464 -4.438 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.519 2.847 -4.835 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.815 2.394 -7.337 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.081 1.207 -6.037 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.424 1.652 -6.510 1.00 0.00 H new ATOM 120 N ALA A 7 5.479 5.301 -1.889 1.00 0.00 N ATOM 121 CA ALA A 7 5.993 6.641 -1.499 1.00 0.00 C ATOM 122 C ALA A 7 7.448 6.516 -1.063 1.00 0.00 C ATOM 123 O ALA A 7 7.924 5.433 -0.835 1.00 0.00 O ATOM 124 CB ALA A 7 5.114 7.035 -0.317 1.00 0.00 C ATOM 0 H ALA A 7 5.184 4.713 -1.109 1.00 0.00 H new ATOM 0 HA ALA A 7 5.960 7.373 -2.306 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.414 8.017 0.048 1.00 0.00 H new ATOM 0 HB2 ALA A 7 4.072 7.069 -0.634 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.227 6.301 0.481 1.00 0.00 H new ATOM 130 N ARG A 8 8.165 7.600 -0.957 1.00 0.00 N ATOM 131 CA ARG A 8 9.591 7.497 -0.552 1.00 0.00 C ATOM 132 C ARG A 8 9.912 8.436 0.615 1.00 0.00 C ATOM 133 O ARG A 8 9.821 9.643 0.500 1.00 0.00 O ATOM 134 CB ARG A 8 10.380 7.900 -1.798 1.00 0.00 C ATOM 135 CG ARG A 8 11.879 7.820 -1.503 1.00 0.00 C ATOM 136 CD ARG A 8 12.375 9.175 -0.994 1.00 0.00 C ATOM 137 NE ARG A 8 13.330 9.653 -2.035 1.00 0.00 N ATOM 138 CZ ARG A 8 14.492 9.064 -2.203 1.00 0.00 C ATOM 139 NH1 ARG A 8 14.840 8.037 -1.468 1.00 0.00 N ATOM 140 NH2 ARG A 8 15.311 9.508 -3.116 1.00 0.00 N ATOM 0 H ARG A 8 7.826 8.546 -1.132 1.00 0.00 H new ATOM 0 HA ARG A 8 9.839 6.493 -0.206 1.00 0.00 H new ATOM 0 HB2 ARG A 8 10.127 7.242 -2.630 1.00 0.00 H new ATOM 0 HB3 ARG A 8 10.112 8.913 -2.099 1.00 0.00 H new ATOM 0 HG2 ARG A 8 12.073 7.048 -0.759 1.00 0.00 H new ATOM 0 HG3 ARG A 8 12.423 7.538 -2.404 1.00 0.00 H new ATOM 0 HD2 ARG A 8 11.549 9.875 -0.865 1.00 0.00 H new ATOM 0 HD3 ARG A 8 12.864 9.077 -0.025 1.00 0.00 H new ATOM 0 HE ARG A 8 13.078 10.447 -2.624 1.00 0.00 H new ATOM 0 HH11 ARG A 8 14.205 7.683 -0.752 1.00 0.00 H new ATOM 0 HH12 ARG A 8 15.746 7.591 -1.611 1.00 0.00 H new ATOM 0 HH21 ARG A 8 15.047 10.307 -3.693 1.00 0.00 H new ATOM 0 HH22 ARG A 8 16.215 9.056 -3.253 1.00 0.00 H new ATOM 154 N PHE A 9 10.302 7.888 1.735 1.00 0.00 N ATOM 155 CA PHE A 9 10.647 8.750 2.912 1.00 0.00 C ATOM 156 C PHE A 9 12.021 8.347 3.458 1.00 0.00 C ATOM 157 O PHE A 9 12.856 7.830 2.743 1.00 0.00 O ATOM 158 CB PHE A 9 9.588 8.499 4.002 1.00 0.00 C ATOM 159 CG PHE A 9 8.321 7.899 3.449 1.00 0.00 C ATOM 160 CD1 PHE A 9 8.267 6.535 3.195 1.00 0.00 C ATOM 161 CD2 PHE A 9 7.196 8.700 3.228 1.00 0.00 C ATOM 162 CE1 PHE A 9 7.097 5.965 2.724 1.00 0.00 C ATOM 163 CE2 PHE A 9 6.018 8.128 2.745 1.00 0.00 C ATOM 164 CZ PHE A 9 5.971 6.756 2.496 1.00 0.00 C ATOM 0 H PHE A 9 10.398 6.884 1.889 1.00 0.00 H new ATOM 0 HA PHE A 9 10.669 9.800 2.620 1.00 0.00 H new ATOM 0 HB2 PHE A 9 10.001 7.833 4.759 1.00 0.00 H new ATOM 0 HB3 PHE A 9 9.353 9.440 4.500 1.00 0.00 H new ATOM 0 HD1 PHE A 9 9.138 5.919 3.365 1.00 0.00 H new ATOM 0 HD2 PHE A 9 7.239 9.760 3.431 1.00 0.00 H new ATOM 0 HE1 PHE A 9 7.056 4.903 2.532 1.00 0.00 H new ATOM 0 HE2 PHE A 9 5.149 8.743 2.565 1.00 0.00 H new ATOM 0 HZ PHE A 9 5.062 6.306 2.126 1.00 0.00 H new ATOM 174 N GLY A 10 12.253 8.564 4.727 1.00 0.00 N ATOM 175 CA GLY A 10 13.558 8.178 5.326 1.00 0.00 C ATOM 176 C GLY A 10 14.533 9.359 5.265 1.00 0.00 C ATOM 177 O GLY A 10 15.206 9.569 4.275 1.00 0.00 O ATOM 0 H GLY A 10 11.591 8.993 5.373 1.00 0.00 H new ATOM 0 HA2 GLY A 10 13.415 7.867 6.361 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.974 7.324 4.792 1.00 0.00 H new ATOM 181 N SER A 11 14.619 10.130 6.317 1.00 0.00 N ATOM 182 CA SER A 11 15.558 11.290 6.316 1.00 0.00 C ATOM 183 C SER A 11 16.998 10.790 6.164 1.00 0.00 C ATOM 184 O SER A 11 17.735 11.231 5.304 1.00 0.00 O ATOM 185 CB SER A 11 15.355 11.970 7.679 1.00 0.00 C ATOM 186 OG SER A 11 16.380 11.572 8.575 1.00 0.00 O ATOM 0 H SER A 11 14.081 10.007 7.175 1.00 0.00 H new ATOM 0 HA SER A 11 15.371 11.980 5.493 1.00 0.00 H new ATOM 0 HB2 SER A 11 15.365 13.053 7.560 1.00 0.00 H new ATOM 0 HB3 SER A 11 14.380 11.703 8.087 1.00 0.00 H new ATOM 0 HG SER A 11 16.008 10.966 9.249 1.00 0.00 H new ATOM 192 N LYS A 12 17.402 9.872 7.000 1.00 0.00 N ATOM 193 CA LYS A 12 18.790 9.340 6.915 1.00 0.00 C ATOM 194 C LYS A 12 18.965 8.172 7.888 1.00 0.00 C ATOM 195 O LYS A 12 19.987 8.032 8.530 1.00 0.00 O ATOM 196 CB LYS A 12 19.685 10.517 7.311 1.00 0.00 C ATOM 197 CG LYS A 12 19.490 10.862 8.792 1.00 0.00 C ATOM 198 CD LYS A 12 20.364 12.064 9.151 1.00 0.00 C ATOM 199 CE LYS A 12 19.701 12.865 10.275 1.00 0.00 C ATOM 200 NZ LYS A 12 19.274 14.139 9.634 1.00 0.00 N ATOM 0 H LYS A 12 16.828 9.467 7.740 1.00 0.00 H new ATOM 0 HA LYS A 12 19.033 8.961 5.922 1.00 0.00 H new ATOM 0 HB2 LYS A 12 20.729 10.267 7.124 1.00 0.00 H new ATOM 0 HB3 LYS A 12 19.449 11.385 6.695 1.00 0.00 H new ATOM 0 HG2 LYS A 12 18.442 11.088 8.990 1.00 0.00 H new ATOM 0 HG3 LYS A 12 19.754 10.007 9.414 1.00 0.00 H new ATOM 0 HD2 LYS A 12 21.352 11.727 9.465 1.00 0.00 H new ATOM 0 HD3 LYS A 12 20.507 12.697 8.275 1.00 0.00 H new ATOM 0 HE2 LYS A 12 18.850 12.328 10.694 1.00 0.00 H new ATOM 0 HE3 LYS A 12 20.397 13.048 11.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 18.810 14.745 10.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 20.106 14.630 9.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 18.607 13.933 8.863 1.00 0.00 H new ATOM 214 N HIS A 13 17.971 7.341 8.010 1.00 0.00 N ATOM 215 CA HIS A 13 18.076 6.191 8.956 1.00 0.00 C ATOM 216 C HIS A 13 17.942 4.879 8.180 1.00 0.00 C ATOM 217 O HIS A 13 18.636 3.915 8.436 1.00 0.00 O ATOM 218 CB HIS A 13 16.903 6.343 9.941 1.00 0.00 C ATOM 219 CG HIS A 13 16.650 7.799 10.238 1.00 0.00 C ATOM 220 ND1 HIS A 13 17.483 8.548 11.050 1.00 0.00 N ATOM 221 CD2 HIS A 13 15.674 8.660 9.806 1.00 0.00 C ATOM 222 CE1 HIS A 13 16.996 9.801 11.079 1.00 0.00 C ATOM 223 NE2 HIS A 13 15.892 9.920 10.343 1.00 0.00 N ATOM 0 H HIS A 13 17.091 7.405 7.498 1.00 0.00 H new ATOM 0 HA HIS A 13 19.033 6.179 9.477 1.00 0.00 H new ATOM 0 HB2 HIS A 13 16.005 5.890 9.520 1.00 0.00 H new ATOM 0 HB3 HIS A 13 17.125 5.810 10.866 1.00 0.00 H new ATOM 0 HD1 HIS A 13 18.314 8.212 11.537 1.00 0.00 H new ATOM 0 HD2 HIS A 13 14.859 8.397 9.148 1.00 0.00 H new ATOM 0 HE1 HIS A 13 17.445 10.613 11.632 1.00 0.00 H new ATOM 231 N ASN A 14 17.048 4.846 7.229 1.00 0.00 N ATOM 232 CA ASN A 14 16.847 3.612 6.419 1.00 0.00 C ATOM 233 C ASN A 14 15.877 3.910 5.265 1.00 0.00 C ATOM 234 O ASN A 14 14.850 4.527 5.473 1.00 0.00 O ATOM 235 CB ASN A 14 16.242 2.596 7.388 1.00 0.00 C ATOM 236 CG ASN A 14 15.865 1.323 6.628 1.00 0.00 C ATOM 237 OD1 ASN A 14 16.720 0.637 6.107 1.00 0.00 O ATOM 238 ND2 ASN A 14 14.610 0.977 6.546 1.00 0.00 N ATOM 0 H ASN A 14 16.444 5.628 6.977 1.00 0.00 H new ATOM 0 HA ASN A 14 17.772 3.241 5.977 1.00 0.00 H new ATOM 0 HB2 ASN A 14 16.956 2.362 8.178 1.00 0.00 H new ATOM 0 HB3 ASN A 14 15.360 3.018 7.870 1.00 0.00 H new ATOM 0 HD21 ASN A 14 14.346 0.129 6.044 1.00 0.00 H new ATOM 0 HD22 ASN A 14 13.892 1.554 6.984 1.00 0.00 H new ATOM 245 N PRO A 15 16.235 3.480 4.079 1.00 0.00 N ATOM 246 CA PRO A 15 15.373 3.732 2.898 1.00 0.00 C ATOM 247 C PRO A 15 14.126 2.842 2.924 1.00 0.00 C ATOM 248 O PRO A 15 14.215 1.631 2.971 1.00 0.00 O ATOM 249 CB PRO A 15 16.268 3.372 1.716 1.00 0.00 C ATOM 250 CG PRO A 15 17.265 2.404 2.264 1.00 0.00 C ATOM 251 CD PRO A 15 17.449 2.731 3.725 1.00 0.00 C ATOM 0 HA PRO A 15 15.005 4.757 2.858 1.00 0.00 H new ATOM 0 HB2 PRO A 15 15.691 2.927 0.905 1.00 0.00 H new ATOM 0 HB3 PRO A 15 16.759 4.256 1.310 1.00 0.00 H new ATOM 0 HG2 PRO A 15 16.914 1.379 2.140 1.00 0.00 H new ATOM 0 HG3 PRO A 15 18.212 2.483 1.730 1.00 0.00 H new ATOM 0 HD2 PRO A 15 17.550 1.827 4.326 1.00 0.00 H new ATOM 0 HD3 PRO A 15 18.347 3.326 3.891 1.00 0.00 H new ATOM 259 N HIS A 16 12.964 3.437 2.876 1.00 0.00 N ATOM 260 CA HIS A 16 11.709 2.631 2.877 1.00 0.00 C ATOM 261 C HIS A 16 10.588 3.405 2.189 1.00 0.00 C ATOM 262 O HIS A 16 10.490 4.609 2.298 1.00 0.00 O ATOM 263 CB HIS A 16 11.362 2.394 4.350 1.00 0.00 C ATOM 264 CG HIS A 16 11.105 3.710 5.034 1.00 0.00 C ATOM 265 ND1 HIS A 16 9.938 4.445 4.839 1.00 0.00 N ATOM 266 CD2 HIS A 16 11.859 4.434 5.925 1.00 0.00 C ATOM 267 CE1 HIS A 16 10.033 5.553 5.601 1.00 0.00 C ATOM 268 NE2 HIS A 16 11.181 5.594 6.281 1.00 0.00 N ATOM 0 H HIS A 16 12.830 4.447 2.836 1.00 0.00 H new ATOM 0 HA HIS A 16 11.835 1.691 2.340 1.00 0.00 H new ATOM 0 HB2 HIS A 16 10.482 1.756 4.427 1.00 0.00 H new ATOM 0 HB3 HIS A 16 12.179 1.870 4.845 1.00 0.00 H new ATOM 0 HD2 HIS A 16 12.832 4.145 6.294 1.00 0.00 H new ATOM 0 HE1 HIS A 16 9.271 6.317 5.655 1.00 0.00 H new ATOM 0 HE2 HIS A 16 11.494 6.321 6.924 1.00 0.00 H new ATOM 276 N TYR A 17 9.743 2.718 1.481 1.00 0.00 N ATOM 277 CA TYR A 17 8.622 3.393 0.786 1.00 0.00 C ATOM 278 C TYR A 17 7.302 2.866 1.340 1.00 0.00 C ATOM 279 O TYR A 17 7.279 1.856 2.007 1.00 0.00 O ATOM 280 CB TYR A 17 8.748 2.944 -0.664 1.00 0.00 C ATOM 281 CG TYR A 17 9.965 3.540 -1.330 1.00 0.00 C ATOM 282 CD1 TYR A 17 11.250 3.186 -0.903 1.00 0.00 C ATOM 283 CD2 TYR A 17 9.804 4.429 -2.398 1.00 0.00 C ATOM 284 CE1 TYR A 17 12.371 3.727 -1.542 1.00 0.00 C ATOM 285 CE2 TYR A 17 10.921 4.968 -3.038 1.00 0.00 C ATOM 286 CZ TYR A 17 12.208 4.619 -2.610 1.00 0.00 C ATOM 287 OH TYR A 17 13.313 5.151 -3.240 1.00 0.00 O ATOM 0 H TYR A 17 9.782 1.707 1.353 1.00 0.00 H new ATOM 0 HA TYR A 17 8.648 4.476 0.904 1.00 0.00 H new ATOM 0 HB2 TYR A 17 8.807 1.856 -0.704 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.853 3.235 -1.214 1.00 0.00 H new ATOM 0 HD1 TYR A 17 11.376 2.496 -0.082 1.00 0.00 H new ATOM 0 HD2 TYR A 17 8.812 4.699 -2.728 1.00 0.00 H new ATOM 0 HE1 TYR A 17 13.363 3.457 -1.212 1.00 0.00 H new ATOM 0 HE2 TYR A 17 10.793 5.654 -3.863 1.00 0.00 H new ATOM 0 HH TYR A 17 13.023 5.750 -3.960 1.00 0.00 H new ATOM 297 N ARG A 18 6.201 3.512 1.058 1.00 0.00 N ATOM 298 CA ARG A 18 4.907 2.990 1.553 1.00 0.00 C ATOM 299 C ARG A 18 3.953 2.880 0.376 1.00 0.00 C ATOM 300 O ARG A 18 3.981 3.687 -0.525 1.00 0.00 O ATOM 301 CB ARG A 18 4.401 4.009 2.577 1.00 0.00 C ATOM 302 CG ARG A 18 3.645 3.291 3.695 1.00 0.00 C ATOM 303 CD ARG A 18 2.174 3.701 3.661 1.00 0.00 C ATOM 304 NE ARG A 18 2.096 4.906 4.536 1.00 0.00 N ATOM 305 CZ ARG A 18 2.133 4.793 5.844 1.00 0.00 C ATOM 306 NH1 ARG A 18 2.237 3.618 6.415 1.00 0.00 N ATOM 307 NH2 ARG A 18 2.067 5.864 6.584 1.00 0.00 N ATOM 0 H ARG A 18 6.148 4.371 0.510 1.00 0.00 H new ATOM 0 HA ARG A 18 4.995 2.005 2.011 1.00 0.00 H new ATOM 0 HB2 ARG A 18 5.240 4.567 2.993 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.747 4.733 2.090 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.735 2.211 3.574 1.00 0.00 H new ATOM 0 HG3 ARG A 18 4.081 3.541 4.662 1.00 0.00 H new ATOM 0 HD2 ARG A 18 1.850 3.928 2.645 1.00 0.00 H new ATOM 0 HD3 ARG A 18 1.532 2.902 4.030 1.00 0.00 H new ATOM 0 HE ARG A 18 2.013 5.830 4.113 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.290 2.776 5.842 1.00 0.00 H new ATOM 0 HH12 ARG A 18 2.265 3.546 7.432 1.00 0.00 H new ATOM 0 HH21 ARG A 18 1.987 6.782 6.147 1.00 0.00 H new ATOM 0 HH22 ARG A 18 2.095 5.784 7.600 1.00 0.00 H new ATOM 321 N ILE A 19 3.082 1.923 0.388 1.00 0.00 N ATOM 322 CA ILE A 19 2.116 1.812 -0.724 1.00 0.00 C ATOM 323 C ILE A 19 0.885 2.492 -0.178 1.00 0.00 C ATOM 324 O ILE A 19 -0.001 1.895 0.403 1.00 0.00 O ATOM 325 CB ILE A 19 1.901 0.317 -1.006 1.00 0.00 C ATOM 326 CG1 ILE A 19 3.096 -0.532 -0.513 1.00 0.00 C ATOM 327 CG2 ILE A 19 1.761 0.118 -2.514 1.00 0.00 C ATOM 328 CD1 ILE A 19 2.925 -1.988 -0.947 1.00 0.00 C ATOM 0 H ILE A 19 2.997 1.215 1.117 1.00 0.00 H new ATOM 0 HA ILE A 19 2.422 2.265 -1.667 1.00 0.00 H new ATOM 0 HB ILE A 19 1.004 -0.004 -0.476 1.00 0.00 H new ATOM 0 HG12 ILE A 19 4.026 -0.132 -0.916 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.168 -0.475 0.573 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.608 -0.940 -2.729 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.908 0.690 -2.879 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.668 0.462 -3.012 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.773 -2.575 -0.594 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.004 -2.388 -0.523 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.876 -2.040 -2.035 1.00 0.00 H new ATOM 340 N VAL A 20 0.929 3.784 -0.262 1.00 0.00 N ATOM 341 CA VAL A 20 -0.104 4.643 0.342 1.00 0.00 C ATOM 342 C VAL A 20 -1.151 5.088 -0.691 1.00 0.00 C ATOM 343 O VAL A 20 -0.934 5.030 -1.886 1.00 0.00 O ATOM 344 CB VAL A 20 0.771 5.801 0.888 1.00 0.00 C ATOM 345 CG1 VAL A 20 0.656 7.068 0.041 1.00 0.00 C ATOM 346 CG2 VAL A 20 0.401 6.106 2.330 1.00 0.00 C ATOM 0 H VAL A 20 1.669 4.295 -0.744 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.717 4.168 1.108 1.00 0.00 H new ATOM 0 HB VAL A 20 1.808 5.469 0.838 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.288 7.848 0.466 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.978 6.855 -0.978 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.380 7.406 0.031 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.023 6.921 2.701 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.648 6.397 2.383 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.562 5.219 2.942 1.00 0.00 H new ATOM 356 N VAL A 21 -2.296 5.506 -0.221 1.00 0.00 N ATOM 357 CA VAL A 21 -3.387 5.931 -1.138 1.00 0.00 C ATOM 358 C VAL A 21 -3.486 7.461 -1.156 1.00 0.00 C ATOM 359 O VAL A 21 -3.928 8.074 -0.205 1.00 0.00 O ATOM 360 CB VAL A 21 -4.691 5.317 -0.575 1.00 0.00 C ATOM 361 CG1 VAL A 21 -5.496 4.722 -1.724 1.00 0.00 C ATOM 362 CG2 VAL A 21 -4.416 4.203 0.439 1.00 0.00 C ATOM 0 H VAL A 21 -2.522 5.571 0.772 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.204 5.598 -2.160 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.237 6.114 -0.071 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.417 4.287 -1.336 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.739 5.505 -2.442 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.909 3.948 -2.217 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.361 3.803 0.806 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.847 3.407 -0.041 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.843 4.605 1.275 1.00 0.00 H new ATOM 372 N THR A 22 -3.078 8.081 -2.230 1.00 0.00 N ATOM 373 CA THR A 22 -3.150 9.572 -2.302 1.00 0.00 C ATOM 374 C THR A 22 -3.614 10.018 -3.691 1.00 0.00 C ATOM 375 O THR A 22 -4.063 9.224 -4.492 1.00 0.00 O ATOM 376 CB THR A 22 -1.723 10.061 -2.035 1.00 0.00 C ATOM 377 OG1 THR A 22 -1.653 11.459 -2.265 1.00 0.00 O ATOM 378 CG2 THR A 22 -0.743 9.344 -2.966 1.00 0.00 C ATOM 0 H THR A 22 -2.699 7.623 -3.059 1.00 0.00 H new ATOM 0 HA THR A 22 -3.861 9.979 -1.583 1.00 0.00 H new ATOM 0 HB THR A 22 -1.458 9.844 -1.000 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.298 11.904 -1.468 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.269 9.697 -2.770 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.793 8.270 -2.789 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.006 9.554 -4.003 1.00 0.00 H new ATOM 386 N ASP A 23 -3.507 11.287 -3.978 1.00 0.00 N ATOM 387 CA ASP A 23 -3.941 11.792 -5.313 1.00 0.00 C ATOM 388 C ASP A 23 -2.771 11.754 -6.299 1.00 0.00 C ATOM 389 O ASP A 23 -1.743 11.162 -6.035 1.00 0.00 O ATOM 390 CB ASP A 23 -4.388 13.234 -5.065 1.00 0.00 C ATOM 391 CG ASP A 23 -5.460 13.254 -3.973 1.00 0.00 C ATOM 392 OD1 ASP A 23 -5.094 13.350 -2.814 1.00 0.00 O ATOM 393 OD2 ASP A 23 -6.628 13.172 -4.315 1.00 0.00 O ATOM 0 H ASP A 23 -3.138 11.997 -3.345 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.738 11.187 -5.744 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.536 13.844 -4.765 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -4.782 13.667 -5.984 1.00 0.00 H new ATOM 398 N ALA A 24 -2.918 12.383 -7.431 1.00 0.00 N ATOM 399 CA ALA A 24 -1.815 12.384 -8.433 1.00 0.00 C ATOM 400 C ALA A 24 -1.110 13.743 -8.441 1.00 0.00 C ATOM 401 O ALA A 24 0.028 13.860 -8.850 1.00 0.00 O ATOM 402 CB ALA A 24 -2.498 12.124 -9.775 1.00 0.00 C ATOM 0 H ALA A 24 -3.755 12.897 -7.706 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.055 11.634 -8.212 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.750 12.110 -10.567 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.010 11.162 -9.742 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.222 12.914 -9.974 1.00 0.00 H new ATOM 408 N ARG A 25 -1.781 14.770 -7.994 1.00 0.00 N ATOM 409 CA ARG A 25 -1.156 16.123 -7.974 1.00 0.00 C ATOM 410 C ARG A 25 0.093 16.120 -7.090 1.00 0.00 C ATOM 411 O ARG A 25 0.043 16.481 -5.931 1.00 0.00 O ATOM 412 CB ARG A 25 -2.227 17.042 -7.386 1.00 0.00 C ATOM 413 CG ARG A 25 -1.681 18.468 -7.291 1.00 0.00 C ATOM 414 CD ARG A 25 -2.798 19.415 -6.850 1.00 0.00 C ATOM 415 NE ARG A 25 -2.119 20.439 -6.003 1.00 0.00 N ATOM 416 CZ ARG A 25 -2.815 21.312 -5.314 1.00 0.00 C ATOM 417 NH1 ARG A 25 -4.124 21.314 -5.355 1.00 0.00 N ATOM 418 NH2 ARG A 25 -2.193 22.191 -4.576 1.00 0.00 N ATOM 0 H ARG A 25 -2.737 14.730 -7.641 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.839 16.446 -8.966 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.120 17.024 -8.011 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.523 16.688 -6.398 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.856 18.506 -6.580 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.284 18.782 -8.257 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.289 19.874 -7.708 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.567 18.885 -6.289 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.100 20.460 -5.959 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -4.617 20.630 -5.929 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -4.650 22.000 -4.813 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -1.174 22.195 -4.538 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -2.726 22.873 -4.037 1.00 0.00 H new ATOM 432 N ARG A 26 1.213 15.716 -7.623 1.00 0.00 N ATOM 433 CA ARG A 26 2.458 15.693 -6.804 1.00 0.00 C ATOM 434 C ARG A 26 3.405 16.813 -7.246 1.00 0.00 C ATOM 435 O ARG A 26 4.559 16.581 -7.549 1.00 0.00 O ATOM 436 CB ARG A 26 3.084 14.322 -7.064 1.00 0.00 C ATOM 437 CG ARG A 26 3.416 14.170 -8.550 1.00 0.00 C ATOM 438 CD ARG A 26 4.551 13.154 -8.713 1.00 0.00 C ATOM 439 NE ARG A 26 5.593 13.866 -9.507 1.00 0.00 N ATOM 440 CZ ARG A 26 5.490 13.981 -10.809 1.00 0.00 C ATOM 441 NH1 ARG A 26 4.459 13.491 -11.453 1.00 0.00 N ATOM 442 NH2 ARG A 26 6.426 14.601 -11.474 1.00 0.00 N ATOM 0 H ARG A 26 1.320 15.402 -8.587 1.00 0.00 H new ATOM 0 HA ARG A 26 2.256 15.850 -5.745 1.00 0.00 H new ATOM 0 HB2 ARG A 26 3.989 14.208 -6.467 1.00 0.00 H new ATOM 0 HB3 ARG A 26 2.397 13.535 -6.754 1.00 0.00 H new ATOM 0 HG2 ARG A 26 2.535 13.839 -9.100 1.00 0.00 H new ATOM 0 HG3 ARG A 26 3.711 15.132 -8.969 1.00 0.00 H new ATOM 0 HD2 ARG A 26 4.940 12.837 -7.745 1.00 0.00 H new ATOM 0 HD3 ARG A 26 4.207 12.257 -9.227 1.00 0.00 H new ATOM 0 HE ARG A 26 6.399 14.270 -9.030 1.00 0.00 H new ATOM 0 HH11 ARG A 26 3.719 13.010 -10.941 1.00 0.00 H new ATOM 0 HH12 ARG A 26 4.396 13.590 -12.466 1.00 0.00 H new ATOM 0 HH21 ARG A 26 7.229 14.991 -10.981 1.00 0.00 H new ATOM 0 HH22 ARG A 26 6.355 14.695 -12.487 1.00 0.00 H new ATOM 456 N LYS A 27 2.925 18.026 -7.281 1.00 0.00 N ATOM 457 CA LYS A 27 3.796 19.161 -7.702 1.00 0.00 C ATOM 458 C LYS A 27 4.721 19.571 -6.552 1.00 0.00 C ATOM 459 O LYS A 27 5.796 20.096 -6.765 1.00 0.00 O ATOM 460 CB LYS A 27 2.829 20.297 -8.037 1.00 0.00 C ATOM 461 CG LYS A 27 2.927 20.630 -9.527 1.00 0.00 C ATOM 462 CD LYS A 27 1.967 19.737 -10.314 1.00 0.00 C ATOM 463 CE LYS A 27 2.050 20.083 -11.802 1.00 0.00 C ATOM 464 NZ LYS A 27 0.930 21.037 -12.037 1.00 0.00 N ATOM 0 H LYS A 27 1.968 18.281 -7.037 1.00 0.00 H new ATOM 0 HA LYS A 27 4.433 18.902 -8.548 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.809 20.006 -7.785 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.066 21.178 -7.441 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.683 21.679 -9.693 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.948 20.481 -9.877 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.220 18.688 -10.159 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.947 19.875 -9.954 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.011 20.533 -12.050 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.946 19.192 -12.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.920 21.321 -13.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.028 20.578 -11.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.059 21.878 -11.439 1.00 0.00 H new ATOM 478 N ARG A 28 4.309 19.339 -5.335 1.00 0.00 N ATOM 479 CA ARG A 28 5.163 19.719 -4.173 1.00 0.00 C ATOM 480 C ARG A 28 4.538 19.210 -2.869 1.00 0.00 C ATOM 481 O ARG A 28 4.563 19.879 -1.856 1.00 0.00 O ATOM 482 CB ARG A 28 5.193 21.249 -4.191 1.00 0.00 C ATOM 483 CG ARG A 28 6.644 21.738 -4.152 1.00 0.00 C ATOM 484 CD ARG A 28 6.865 22.769 -5.261 1.00 0.00 C ATOM 485 NE ARG A 28 8.048 23.564 -4.820 1.00 0.00 N ATOM 486 CZ ARG A 28 8.463 24.595 -5.518 1.00 0.00 C ATOM 487 NH1 ARG A 28 7.854 24.951 -6.623 1.00 0.00 N ATOM 488 NH2 ARG A 28 9.500 25.274 -5.109 1.00 0.00 N ATOM 0 H ARG A 28 3.419 18.903 -5.095 1.00 0.00 H new ATOM 0 HA ARG A 28 6.163 19.289 -4.235 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.698 21.621 -5.088 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.643 21.643 -3.336 1.00 0.00 H new ATOM 0 HG2 ARG A 28 6.864 22.180 -3.180 1.00 0.00 H new ATOM 0 HG3 ARG A 28 7.326 20.897 -4.281 1.00 0.00 H new ATOM 0 HD2 ARG A 28 7.051 22.284 -6.219 1.00 0.00 H new ATOM 0 HD3 ARG A 28 5.989 23.404 -5.390 1.00 0.00 H new ATOM 0 HE ARG A 28 8.540 23.303 -3.966 1.00 0.00 H new ATOM 0 HH11 ARG A 28 7.045 24.424 -6.952 1.00 0.00 H new ATOM 0 HH12 ARG A 28 8.189 25.755 -7.154 1.00 0.00 H new ATOM 0 HH21 ARG A 28 9.982 25.002 -4.252 1.00 0.00 H new ATOM 0 HH22 ARG A 28 9.828 26.076 -5.646 1.00 0.00 H new ATOM 502 N ASP A 29 3.975 18.032 -2.891 1.00 0.00 N ATOM 503 CA ASP A 29 3.346 17.482 -1.654 1.00 0.00 C ATOM 504 C ASP A 29 3.126 15.972 -1.803 1.00 0.00 C ATOM 505 O ASP A 29 3.320 15.412 -2.865 1.00 0.00 O ATOM 506 CB ASP A 29 2.007 18.212 -1.534 1.00 0.00 C ATOM 507 CG ASP A 29 1.991 19.047 -0.252 1.00 0.00 C ATOM 508 OD1 ASP A 29 2.532 20.141 -0.275 1.00 0.00 O ATOM 509 OD2 ASP A 29 1.439 18.580 0.730 1.00 0.00 O ATOM 0 H ASP A 29 3.923 17.427 -3.710 1.00 0.00 H new ATOM 0 HA ASP A 29 3.968 17.627 -0.771 1.00 0.00 H new ATOM 0 HB2 ASP A 29 1.853 18.855 -2.401 1.00 0.00 H new ATOM 0 HB3 ASP A 29 1.189 17.492 -1.521 1.00 0.00 H new ATOM 514 N GLY A 30 2.725 15.309 -0.753 1.00 0.00 N ATOM 515 CA GLY A 30 2.499 13.837 -0.848 1.00 0.00 C ATOM 516 C GLY A 30 1.541 13.384 0.256 1.00 0.00 C ATOM 517 O GLY A 30 1.798 12.424 0.955 1.00 0.00 O ATOM 0 H GLY A 30 2.544 15.720 0.163 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.086 13.586 -1.825 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.448 13.308 -0.758 1.00 0.00 H new ATOM 521 N LYS A 31 0.437 14.061 0.419 1.00 0.00 N ATOM 522 CA LYS A 31 -0.532 13.655 1.478 1.00 0.00 C ATOM 523 C LYS A 31 -1.440 12.537 0.959 1.00 0.00 C ATOM 524 O LYS A 31 -1.949 12.599 -0.143 1.00 0.00 O ATOM 525 CB LYS A 31 -1.343 14.914 1.785 1.00 0.00 C ATOM 526 CG LYS A 31 -0.730 15.630 2.990 1.00 0.00 C ATOM 527 CD LYS A 31 -1.687 16.714 3.489 1.00 0.00 C ATOM 528 CE LYS A 31 -1.996 16.479 4.970 1.00 0.00 C ATOM 529 NZ LYS A 31 -2.642 17.738 5.433 1.00 0.00 N ATOM 0 H LYS A 31 0.164 14.875 -0.133 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.034 13.271 2.369 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.350 15.576 0.919 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.380 14.651 1.993 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.529 14.914 3.787 1.00 0.00 H new ATOM 0 HG3 LYS A 31 0.226 16.075 2.713 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.241 17.699 3.351 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.608 16.697 2.907 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.658 15.623 5.104 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.087 16.271 5.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.884 17.654 6.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.986 18.534 5.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.508 17.907 4.882 1.00 0.00 H new ATOM 543 N TYR A 32 -1.643 11.513 1.742 1.00 0.00 N ATOM 544 CA TYR A 32 -2.518 10.387 1.287 1.00 0.00 C ATOM 545 C TYR A 32 -3.781 10.308 2.142 1.00 0.00 C ATOM 546 O TYR A 32 -3.806 10.734 3.280 1.00 0.00 O ATOM 547 CB TYR A 32 -1.692 9.101 1.450 1.00 0.00 C ATOM 548 CG TYR A 32 -0.976 9.092 2.783 1.00 0.00 C ATOM 549 CD1 TYR A 32 -1.674 8.771 3.954 1.00 0.00 C ATOM 550 CD2 TYR A 32 0.386 9.407 2.844 1.00 0.00 C ATOM 551 CE1 TYR A 32 -1.008 8.767 5.186 1.00 0.00 C ATOM 552 CE2 TYR A 32 1.052 9.403 4.076 1.00 0.00 C ATOM 553 CZ TYR A 32 0.356 9.082 5.248 1.00 0.00 C ATOM 554 OH TYR A 32 1.011 9.077 6.462 1.00 0.00 O ATOM 0 H TYR A 32 -1.244 11.404 2.674 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.832 10.532 0.253 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.345 8.231 1.376 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.966 9.024 0.641 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.725 8.527 3.907 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.924 9.653 1.940 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.546 8.521 6.089 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.103 9.648 4.122 1.00 0.00 H new ATOM 0 HH TYR A 32 1.952 9.317 6.327 1.00 0.00 H new ATOM 564 N ILE A 33 -4.828 9.752 1.600 1.00 0.00 N ATOM 565 CA ILE A 33 -6.094 9.626 2.371 1.00 0.00 C ATOM 566 C ILE A 33 -5.908 8.613 3.504 1.00 0.00 C ATOM 567 O ILE A 33 -6.540 8.696 4.537 1.00 0.00 O ATOM 568 CB ILE A 33 -7.114 9.120 1.350 1.00 0.00 C ATOM 569 CG1 ILE A 33 -7.378 10.215 0.314 1.00 0.00 C ATOM 570 CG2 ILE A 33 -8.423 8.761 2.056 1.00 0.00 C ATOM 571 CD1 ILE A 33 -7.387 9.601 -1.088 1.00 0.00 C ATOM 0 H ILE A 33 -4.861 9.378 0.652 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.409 10.563 2.831 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.719 8.232 0.856 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.333 10.699 0.517 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -6.610 10.986 0.380 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -9.145 8.401 1.323 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -8.236 7.981 2.794 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.822 9.644 2.555 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.575 10.381 -1.826 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.421 9.137 -1.288 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.171 8.847 -1.150 1.00 0.00 H new ATOM 583 N GLU A 34 -5.041 7.656 3.311 1.00 0.00 N ATOM 584 CA GLU A 34 -4.807 6.634 4.369 1.00 0.00 C ATOM 585 C GLU A 34 -3.562 5.808 4.032 1.00 0.00 C ATOM 586 O GLU A 34 -2.921 6.019 3.023 1.00 0.00 O ATOM 587 CB GLU A 34 -6.058 5.754 4.350 1.00 0.00 C ATOM 588 CG GLU A 34 -6.492 5.447 5.784 1.00 0.00 C ATOM 589 CD GLU A 34 -7.920 5.947 6.007 1.00 0.00 C ATOM 590 OE1 GLU A 34 -8.164 7.115 5.750 1.00 0.00 O ATOM 591 OE2 GLU A 34 -8.747 5.155 6.429 1.00 0.00 O ATOM 0 H GLU A 34 -4.484 7.538 2.465 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.638 7.080 5.349 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.863 6.260 3.816 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.854 4.827 3.815 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.439 4.374 5.969 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.814 5.926 6.490 1.00 0.00 H new ATOM 598 N LYS A 35 -3.219 4.865 4.867 1.00 0.00 N ATOM 599 CA LYS A 35 -2.019 4.024 4.587 1.00 0.00 C ATOM 600 C LYS A 35 -2.429 2.552 4.496 1.00 0.00 C ATOM 601 O LYS A 35 -2.993 1.999 5.419 1.00 0.00 O ATOM 602 CB LYS A 35 -1.073 4.261 5.770 1.00 0.00 C ATOM 603 CG LYS A 35 -1.683 3.690 7.056 1.00 0.00 C ATOM 604 CD LYS A 35 -0.891 4.197 8.263 1.00 0.00 C ATOM 605 CE LYS A 35 -1.093 3.246 9.445 1.00 0.00 C ATOM 606 NZ LYS A 35 -0.054 3.641 10.435 1.00 0.00 N ATOM 0 H LYS A 35 -3.716 4.641 5.729 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.541 4.280 3.641 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.110 3.790 5.575 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.888 5.328 5.889 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.727 3.990 7.140 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.666 2.601 7.027 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.168 4.264 8.014 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.220 5.201 8.531 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.095 3.343 9.863 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.974 2.206 9.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.127 3.034 11.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.889 3.532 10.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.197 4.633 10.711 1.00 0.00 H new ATOM 620 N ILE A 36 -2.166 1.916 3.388 1.00 0.00 N ATOM 621 CA ILE A 36 -2.569 0.483 3.252 1.00 0.00 C ATOM 622 C ILE A 36 -1.363 -0.423 3.080 1.00 0.00 C ATOM 623 O ILE A 36 -1.336 -1.530 3.583 1.00 0.00 O ATOM 624 CB ILE A 36 -3.442 0.436 2.005 1.00 0.00 C ATOM 625 CG1 ILE A 36 -2.614 0.858 0.780 1.00 0.00 C ATOM 626 CG2 ILE A 36 -4.617 1.390 2.188 1.00 0.00 C ATOM 627 CD1 ILE A 36 -3.491 0.865 -0.467 1.00 0.00 C ATOM 0 H ILE A 36 -1.695 2.319 2.578 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.089 0.132 4.143 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.813 -0.577 1.850 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.190 1.849 0.942 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.778 0.172 0.642 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.249 1.364 1.300 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.200 1.086 3.057 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.243 2.403 2.338 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.895 1.165 -1.329 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.894 -0.134 -0.634 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.312 1.569 -0.330 1.00 0.00 H new ATOM 639 N GLY A 37 -0.382 0.007 2.351 1.00 0.00 N ATOM 640 CA GLY A 37 0.783 -0.870 2.134 1.00 0.00 C ATOM 641 C GLY A 37 2.057 -0.247 2.673 1.00 0.00 C ATOM 642 O GLY A 37 2.136 0.933 2.939 1.00 0.00 O ATOM 0 H GLY A 37 -0.338 0.921 1.900 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.612 -1.830 2.621 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.897 -1.069 1.068 1.00 0.00 H new ATOM 646 N TYR A 38 3.065 -1.056 2.789 1.00 0.00 N ATOM 647 CA TYR A 38 4.390 -0.577 3.259 1.00 0.00 C ATOM 648 C TYR A 38 5.460 -1.260 2.409 1.00 0.00 C ATOM 649 O TYR A 38 5.469 -2.468 2.276 1.00 0.00 O ATOM 650 CB TYR A 38 4.495 -1.011 4.722 1.00 0.00 C ATOM 651 CG TYR A 38 5.750 -0.424 5.323 1.00 0.00 C ATOM 652 CD1 TYR A 38 6.979 -1.069 5.147 1.00 0.00 C ATOM 653 CD2 TYR A 38 5.685 0.771 6.052 1.00 0.00 C ATOM 654 CE1 TYR A 38 8.143 -0.521 5.698 1.00 0.00 C ATOM 655 CE2 TYR A 38 6.849 1.319 6.605 1.00 0.00 C ATOM 656 CZ TYR A 38 8.079 0.673 6.427 1.00 0.00 C ATOM 657 OH TYR A 38 9.227 1.213 6.969 1.00 0.00 O ATOM 0 H TYR A 38 3.027 -2.052 2.573 1.00 0.00 H new ATOM 0 HA TYR A 38 4.516 0.502 3.173 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.619 -0.675 5.278 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.518 -2.099 4.791 1.00 0.00 H new ATOM 0 HD1 TYR A 38 7.030 -1.990 4.586 1.00 0.00 H new ATOM 0 HD2 TYR A 38 4.737 1.270 6.187 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.091 -1.019 5.561 1.00 0.00 H new ATOM 0 HE2 TYR A 38 6.798 2.239 7.168 1.00 0.00 H new ATOM 0 HH TYR A 38 9.007 2.042 7.442 1.00 0.00 H new ATOM 667 N TYR A 39 6.345 -0.513 1.811 1.00 0.00 N ATOM 668 CA TYR A 39 7.379 -1.161 0.955 1.00 0.00 C ATOM 669 C TYR A 39 8.785 -0.868 1.494 1.00 0.00 C ATOM 670 O TYR A 39 9.097 0.247 1.863 1.00 0.00 O ATOM 671 CB TYR A 39 7.198 -0.543 -0.438 1.00 0.00 C ATOM 672 CG TYR A 39 8.304 -1.019 -1.366 1.00 0.00 C ATOM 673 CD1 TYR A 39 8.842 -2.309 -1.231 1.00 0.00 C ATOM 674 CD2 TYR A 39 8.792 -0.163 -2.359 1.00 0.00 C ATOM 675 CE1 TYR A 39 9.866 -2.737 -2.088 1.00 0.00 C ATOM 676 CE2 TYR A 39 9.813 -0.595 -3.215 1.00 0.00 C ATOM 677 CZ TYR A 39 10.349 -1.878 -3.079 1.00 0.00 C ATOM 678 OH TYR A 39 11.356 -2.300 -3.923 1.00 0.00 O ATOM 0 H TYR A 39 6.399 0.504 1.875 1.00 0.00 H new ATOM 0 HA TYR A 39 7.268 -2.245 0.936 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.226 -0.821 -0.845 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.214 0.545 -0.367 1.00 0.00 H new ATOM 0 HD1 TYR A 39 8.467 -2.972 -0.466 1.00 0.00 H new ATOM 0 HD2 TYR A 39 8.382 0.830 -2.466 1.00 0.00 H new ATOM 0 HE1 TYR A 39 10.281 -3.729 -1.982 1.00 0.00 H new ATOM 0 HE2 TYR A 39 10.187 0.066 -3.983 1.00 0.00 H new ATOM 0 HH TYR A 39 11.641 -1.554 -4.491 1.00 0.00 H new ATOM 688 N ASP A 40 9.638 -1.855 1.532 1.00 0.00 N ATOM 689 CA ASP A 40 11.024 -1.627 2.034 1.00 0.00 C ATOM 690 C ASP A 40 12.035 -2.232 1.050 1.00 0.00 C ATOM 691 O ASP A 40 12.430 -3.370 1.193 1.00 0.00 O ATOM 692 CB ASP A 40 11.084 -2.348 3.382 1.00 0.00 C ATOM 693 CG ASP A 40 12.494 -2.229 3.965 1.00 0.00 C ATOM 694 OD1 ASP A 40 12.870 -1.129 4.337 1.00 0.00 O ATOM 695 OD2 ASP A 40 13.174 -3.240 4.031 1.00 0.00 O ATOM 0 H ASP A 40 9.435 -2.810 1.237 1.00 0.00 H new ATOM 0 HA ASP A 40 11.264 -0.569 2.134 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.357 -1.916 4.070 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.819 -3.398 3.257 1.00 0.00 H new ATOM 700 N PRO A 41 12.417 -1.451 0.071 1.00 0.00 N ATOM 701 CA PRO A 41 13.380 -1.937 -0.949 1.00 0.00 C ATOM 702 C PRO A 41 14.760 -2.162 -0.325 1.00 0.00 C ATOM 703 O PRO A 41 15.632 -1.319 -0.401 1.00 0.00 O ATOM 704 CB PRO A 41 13.414 -0.808 -1.978 1.00 0.00 C ATOM 705 CG PRO A 41 12.990 0.407 -1.219 1.00 0.00 C ATOM 706 CD PRO A 41 12.008 -0.062 -0.180 1.00 0.00 C ATOM 0 HA PRO A 41 13.094 -2.893 -1.387 1.00 0.00 H new ATOM 0 HB2 PRO A 41 14.412 -0.685 -2.398 1.00 0.00 H new ATOM 0 HB3 PRO A 41 12.740 -1.010 -2.811 1.00 0.00 H new ATOM 0 HG2 PRO A 41 13.847 0.892 -0.752 1.00 0.00 H new ATOM 0 HG3 PRO A 41 12.532 1.140 -1.883 1.00 0.00 H new ATOM 0 HD2 PRO A 41 12.061 0.543 0.725 1.00 0.00 H new ATOM 0 HD3 PRO A 41 10.981 -0.004 -0.542 1.00 0.00 H new ATOM 714 N ARG A 42 14.959 -3.294 0.293 1.00 0.00 N ATOM 715 CA ARG A 42 16.272 -3.584 0.925 1.00 0.00 C ATOM 716 C ARG A 42 17.114 -4.482 0.016 1.00 0.00 C ATOM 717 O ARG A 42 16.630 -5.029 -0.956 1.00 0.00 O ATOM 718 CB ARG A 42 15.929 -4.309 2.227 1.00 0.00 C ATOM 719 CG ARG A 42 16.162 -3.375 3.415 1.00 0.00 C ATOM 720 CD ARG A 42 16.432 -4.207 4.671 1.00 0.00 C ATOM 721 NE ARG A 42 17.469 -3.444 5.423 1.00 0.00 N ATOM 722 CZ ARG A 42 18.054 -3.962 6.478 1.00 0.00 C ATOM 723 NH1 ARG A 42 17.745 -5.164 6.898 1.00 0.00 N ATOM 724 NH2 ARG A 42 18.956 -3.268 7.119 1.00 0.00 N ATOM 0 H ARG A 42 14.263 -4.033 0.386 1.00 0.00 H new ATOM 0 HA ARG A 42 16.855 -2.680 1.100 1.00 0.00 H new ATOM 0 HB2 ARG A 42 14.890 -4.637 2.209 1.00 0.00 H new ATOM 0 HB3 ARG A 42 16.544 -5.203 2.329 1.00 0.00 H new ATOM 0 HG2 ARG A 42 17.007 -2.716 3.213 1.00 0.00 H new ATOM 0 HG3 ARG A 42 15.290 -2.738 3.568 1.00 0.00 H new ATOM 0 HD2 ARG A 42 15.526 -4.332 5.264 1.00 0.00 H new ATOM 0 HD3 ARG A 42 16.785 -5.206 4.415 1.00 0.00 H new ATOM 0 HE ARG A 42 17.727 -2.507 5.114 1.00 0.00 H new ATOM 0 HH11 ARG A 42 17.041 -5.712 6.404 1.00 0.00 H new ATOM 0 HH12 ARG A 42 18.209 -5.552 7.719 1.00 0.00 H new ATOM 0 HH21 ARG A 42 19.201 -2.331 6.799 1.00 0.00 H new ATOM 0 HH22 ARG A 42 19.415 -3.663 7.940 1.00 0.00 H new ATOM 738 N LYS A 43 18.370 -4.644 0.329 1.00 0.00 N ATOM 739 CA LYS A 43 19.244 -5.514 -0.510 1.00 0.00 C ATOM 740 C LYS A 43 19.808 -6.664 0.332 1.00 0.00 C ATOM 741 O LYS A 43 20.759 -7.316 -0.051 1.00 0.00 O ATOM 742 CB LYS A 43 20.373 -4.601 -0.992 1.00 0.00 C ATOM 743 CG LYS A 43 20.703 -4.922 -2.451 1.00 0.00 C ATOM 744 CD LYS A 43 21.314 -3.690 -3.121 1.00 0.00 C ATOM 745 CE LYS A 43 22.813 -3.639 -2.823 1.00 0.00 C ATOM 746 NZ LYS A 43 22.931 -2.797 -1.601 1.00 0.00 N ATOM 0 H LYS A 43 18.830 -4.211 1.130 1.00 0.00 H new ATOM 0 HA LYS A 43 18.701 -5.963 -1.342 1.00 0.00 H new ATOM 0 HB2 LYS A 43 20.076 -3.557 -0.897 1.00 0.00 H new ATOM 0 HB3 LYS A 43 21.257 -4.739 -0.370 1.00 0.00 H new ATOM 0 HG2 LYS A 43 21.399 -5.759 -2.501 1.00 0.00 H new ATOM 0 HG3 LYS A 43 19.800 -5.226 -2.980 1.00 0.00 H new ATOM 0 HD2 LYS A 43 21.147 -3.728 -4.198 1.00 0.00 H new ATOM 0 HD3 LYS A 43 20.829 -2.785 -2.755 1.00 0.00 H new ATOM 0 HE2 LYS A 43 23.217 -4.637 -2.656 1.00 0.00 H new ATOM 0 HE3 LYS A 43 23.367 -3.207 -3.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 23.829 -2.273 -1.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 22.138 -2.125 -1.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 22.909 -3.405 -0.757 1.00 0.00 H new ATOM 760 N THR A 44 19.232 -6.918 1.478 1.00 0.00 N ATOM 761 CA THR A 44 19.742 -8.025 2.339 1.00 0.00 C ATOM 762 C THR A 44 18.644 -9.061 2.593 1.00 0.00 C ATOM 763 O THR A 44 18.917 -10.223 2.820 1.00 0.00 O ATOM 764 CB THR A 44 20.159 -7.354 3.652 1.00 0.00 C ATOM 765 OG1 THR A 44 20.514 -8.353 4.598 1.00 0.00 O ATOM 766 CG2 THR A 44 19.000 -6.518 4.205 1.00 0.00 C ATOM 0 H THR A 44 18.433 -6.408 1.854 1.00 0.00 H new ATOM 0 HA THR A 44 20.571 -8.555 1.869 1.00 0.00 H new ATOM 0 HB THR A 44 21.012 -6.702 3.466 1.00 0.00 H new ATOM 0 HG1 THR A 44 20.783 -7.927 5.439 1.00 0.00 H new ATOM 0 HG21 THR A 44 19.306 -6.045 5.138 1.00 0.00 H new ATOM 0 HG22 THR A 44 18.727 -5.750 3.481 1.00 0.00 H new ATOM 0 HG23 THR A 44 18.141 -7.164 4.390 1.00 0.00 H new ATOM 774 N THR A 45 17.403 -8.653 2.562 1.00 0.00 N ATOM 775 CA THR A 45 16.299 -9.622 2.808 1.00 0.00 C ATOM 776 C THR A 45 15.279 -9.576 1.660 1.00 0.00 C ATOM 777 O THR A 45 14.948 -8.512 1.174 1.00 0.00 O ATOM 778 CB THR A 45 15.659 -9.165 4.121 1.00 0.00 C ATOM 779 OG1 THR A 45 15.532 -7.750 4.118 1.00 0.00 O ATOM 780 CG2 THR A 45 16.538 -9.597 5.297 1.00 0.00 C ATOM 0 H THR A 45 17.108 -7.694 2.378 1.00 0.00 H new ATOM 0 HA THR A 45 16.657 -10.650 2.865 1.00 0.00 H new ATOM 0 HB THR A 45 14.673 -9.618 4.221 1.00 0.00 H new ATOM 0 HG1 THR A 45 15.121 -7.457 4.958 1.00 0.00 H new ATOM 0 HG21 THR A 45 16.081 -9.271 6.232 1.00 0.00 H new ATOM 0 HG22 THR A 45 16.634 -10.683 5.300 1.00 0.00 H new ATOM 0 HG23 THR A 45 17.525 -9.145 5.199 1.00 0.00 H new ATOM 788 N PRO A 46 14.812 -10.735 1.261 1.00 0.00 N ATOM 789 CA PRO A 46 13.824 -10.813 0.156 1.00 0.00 C ATOM 790 C PRO A 46 12.431 -10.400 0.644 1.00 0.00 C ATOM 791 O PRO A 46 11.705 -9.703 -0.037 1.00 0.00 O ATOM 792 CB PRO A 46 13.839 -12.288 -0.235 1.00 0.00 C ATOM 793 CG PRO A 46 14.301 -13.016 0.988 1.00 0.00 C ATOM 794 CD PRO A 46 15.154 -12.064 1.787 1.00 0.00 C ATOM 0 HA PRO A 46 14.064 -10.149 -0.675 1.00 0.00 H new ATOM 0 HB2 PRO A 46 12.848 -12.624 -0.542 1.00 0.00 H new ATOM 0 HB3 PRO A 46 14.510 -12.465 -1.075 1.00 0.00 H new ATOM 0 HG2 PRO A 46 13.449 -13.354 1.578 1.00 0.00 H new ATOM 0 HG3 PRO A 46 14.871 -13.903 0.713 1.00 0.00 H new ATOM 0 HD2 PRO A 46 14.938 -12.137 2.853 1.00 0.00 H new ATOM 0 HD3 PRO A 46 16.215 -12.280 1.661 1.00 0.00 H new ATOM 802 N ASP A 47 12.051 -10.833 1.815 1.00 0.00 N ATOM 803 CA ASP A 47 10.701 -10.476 2.342 1.00 0.00 C ATOM 804 C ASP A 47 10.700 -9.056 2.915 1.00 0.00 C ATOM 805 O ASP A 47 11.106 -8.828 4.036 1.00 0.00 O ATOM 806 CB ASP A 47 10.427 -11.499 3.447 1.00 0.00 C ATOM 807 CG ASP A 47 10.023 -12.833 2.818 1.00 0.00 C ATOM 808 OD1 ASP A 47 10.861 -13.439 2.173 1.00 0.00 O ATOM 809 OD2 ASP A 47 8.880 -13.225 2.993 1.00 0.00 O ATOM 0 H ASP A 47 12.616 -11.418 2.430 1.00 0.00 H new ATOM 0 HA ASP A 47 9.940 -10.497 1.562 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.316 -11.630 4.064 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.634 -11.139 4.102 1.00 0.00 H new ATOM 814 N TRP A 48 10.243 -8.098 2.152 1.00 0.00 N ATOM 815 CA TRP A 48 10.213 -6.692 2.660 1.00 0.00 C ATOM 816 C TRP A 48 8.853 -6.034 2.398 1.00 0.00 C ATOM 817 O TRP A 48 8.624 -4.905 2.784 1.00 0.00 O ATOM 818 CB TRP A 48 11.313 -5.934 1.900 1.00 0.00 C ATOM 819 CG TRP A 48 11.330 -6.313 0.445 1.00 0.00 C ATOM 820 CD1 TRP A 48 12.320 -7.010 -0.155 1.00 0.00 C ATOM 821 CD2 TRP A 48 10.349 -6.023 -0.599 1.00 0.00 C ATOM 822 NE1 TRP A 48 12.007 -7.182 -1.491 1.00 0.00 N ATOM 823 CE2 TRP A 48 10.803 -6.593 -1.813 1.00 0.00 C ATOM 824 CE3 TRP A 48 9.122 -5.339 -0.611 1.00 0.00 C ATOM 825 CZ2 TRP A 48 10.070 -6.485 -2.995 1.00 0.00 C ATOM 826 CZ3 TRP A 48 8.383 -5.228 -1.799 1.00 0.00 C ATOM 827 CH2 TRP A 48 8.854 -5.801 -2.988 1.00 0.00 C ATOM 0 H TRP A 48 9.891 -8.226 1.203 1.00 0.00 H new ATOM 0 HA TRP A 48 10.375 -6.673 3.738 1.00 0.00 H new ATOM 0 HB2 TRP A 48 11.152 -4.860 1.997 1.00 0.00 H new ATOM 0 HB3 TRP A 48 12.283 -6.152 2.346 1.00 0.00 H new ATOM 0 HD1 TRP A 48 13.213 -7.374 0.331 1.00 0.00 H new ATOM 0 HE1 TRP A 48 12.595 -7.683 -2.157 1.00 0.00 H new ATOM 0 HE3 TRP A 48 8.745 -4.896 0.299 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 10.441 -6.927 -3.908 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 7.443 -4.696 -1.797 1.00 0.00 H new ATOM 0 HH2 TRP A 48 8.277 -5.713 -3.897 1.00 0.00 H new ATOM 838 N LEU A 49 7.951 -6.711 1.739 1.00 0.00 N ATOM 839 CA LEU A 49 6.626 -6.089 1.455 1.00 0.00 C ATOM 840 C LEU A 49 5.632 -6.381 2.582 1.00 0.00 C ATOM 841 O LEU A 49 5.293 -7.516 2.849 1.00 0.00 O ATOM 842 CB LEU A 49 6.146 -6.737 0.158 1.00 0.00 C ATOM 843 CG LEU A 49 4.942 -5.957 -0.375 1.00 0.00 C ATOM 844 CD1 LEU A 49 5.170 -5.593 -1.842 1.00 0.00 C ATOM 845 CD2 LEU A 49 3.685 -6.821 -0.249 1.00 0.00 C ATOM 0 H LEU A 49 8.073 -7.661 1.387 1.00 0.00 H new ATOM 0 HA LEU A 49 6.705 -5.005 1.374 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.948 -6.741 -0.580 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.872 -7.777 0.336 1.00 0.00 H new ATOM 0 HG LEU A 49 4.817 -5.042 0.204 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.310 -5.038 -2.217 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.065 -4.978 -1.929 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.297 -6.504 -2.427 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.825 -6.269 -0.628 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.813 -7.736 -0.828 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.521 -7.074 0.798 1.00 0.00 H new ATOM 857 N LYS A 50 5.149 -5.358 3.228 1.00 0.00 N ATOM 858 CA LYS A 50 4.159 -5.559 4.322 1.00 0.00 C ATOM 859 C LYS A 50 2.905 -4.744 4.010 1.00 0.00 C ATOM 860 O LYS A 50 2.837 -3.564 4.295 1.00 0.00 O ATOM 861 CB LYS A 50 4.841 -5.036 5.584 1.00 0.00 C ATOM 862 CG LYS A 50 3.893 -5.181 6.775 1.00 0.00 C ATOM 863 CD LYS A 50 4.435 -6.245 7.729 1.00 0.00 C ATOM 864 CE LYS A 50 5.377 -5.589 8.741 1.00 0.00 C ATOM 865 NZ LYS A 50 4.480 -4.988 9.767 1.00 0.00 N ATOM 0 H LYS A 50 5.398 -4.386 3.045 1.00 0.00 H new ATOM 0 HA LYS A 50 3.859 -6.601 4.438 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.761 -5.590 5.769 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.119 -3.990 5.453 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.795 -4.228 7.294 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.897 -5.460 6.430 1.00 0.00 H new ATOM 0 HD2 LYS A 50 3.612 -6.737 8.248 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.965 -7.015 7.169 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.051 -6.321 9.186 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.999 -4.830 8.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 4.783 -4.013 9.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.502 -4.981 9.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.527 -5.549 10.641 1.00 0.00 H new ATOM 879 N VAL A 51 1.923 -5.349 3.402 1.00 0.00 N ATOM 880 CA VAL A 51 0.696 -4.584 3.051 1.00 0.00 C ATOM 881 C VAL A 51 -0.538 -5.151 3.750 1.00 0.00 C ATOM 882 O VAL A 51 -0.743 -6.347 3.813 1.00 0.00 O ATOM 883 CB VAL A 51 0.569 -4.726 1.511 1.00 0.00 C ATOM 884 CG1 VAL A 51 -0.887 -4.969 1.070 1.00 0.00 C ATOM 885 CG2 VAL A 51 1.040 -3.448 0.837 1.00 0.00 C ATOM 0 H VAL A 51 1.917 -6.333 3.135 1.00 0.00 H new ATOM 0 HA VAL A 51 0.765 -3.544 3.369 1.00 0.00 H new ATOM 0 HB VAL A 51 1.180 -5.581 1.221 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.928 -5.062 -0.015 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.257 -5.887 1.527 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.508 -4.130 1.386 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.949 -3.552 -0.244 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.427 -2.612 1.174 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.082 -3.262 1.097 1.00 0.00 H new ATOM 895 N ASP A 52 -1.401 -4.286 4.184 1.00 0.00 N ATOM 896 CA ASP A 52 -2.669 -4.753 4.775 1.00 0.00 C ATOM 897 C ASP A 52 -3.611 -4.959 3.593 1.00 0.00 C ATOM 898 O ASP A 52 -4.550 -4.213 3.405 1.00 0.00 O ATOM 899 CB ASP A 52 -3.147 -3.607 5.670 1.00 0.00 C ATOM 900 CG ASP A 52 -3.846 -4.179 6.904 1.00 0.00 C ATOM 901 OD1 ASP A 52 -3.189 -4.869 7.666 1.00 0.00 O ATOM 902 OD2 ASP A 52 -5.026 -3.916 7.068 1.00 0.00 O ATOM 0 H ASP A 52 -1.280 -3.274 4.154 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.600 -5.671 5.358 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.300 -2.990 5.972 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.831 -2.962 5.118 1.00 0.00 H new ATOM 907 N VAL A 53 -3.307 -5.936 2.759 1.00 0.00 N ATOM 908 CA VAL A 53 -4.118 -6.196 1.519 1.00 0.00 C ATOM 909 C VAL A 53 -5.613 -5.933 1.748 1.00 0.00 C ATOM 910 O VAL A 53 -6.311 -5.540 0.837 1.00 0.00 O ATOM 911 CB VAL A 53 -3.824 -7.662 1.101 1.00 0.00 C ATOM 912 CG1 VAL A 53 -3.683 -8.576 2.318 1.00 0.00 C ATOM 913 CG2 VAL A 53 -4.945 -8.200 0.201 1.00 0.00 C ATOM 0 H VAL A 53 -2.520 -6.572 2.889 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.839 -5.513 0.717 1.00 0.00 H new ATOM 0 HB VAL A 53 -2.881 -7.657 0.555 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.478 -9.594 1.987 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.862 -8.225 2.943 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.609 -8.561 2.893 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.722 -9.229 -0.082 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.891 -8.169 0.741 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.019 -7.585 -0.696 1.00 0.00 H new ATOM 923 N GLU A 54 -6.108 -6.105 2.941 1.00 0.00 N ATOM 924 CA GLU A 54 -7.545 -5.809 3.166 1.00 0.00 C ATOM 925 C GLU A 54 -7.791 -4.331 2.862 1.00 0.00 C ATOM 926 O GLU A 54 -8.704 -3.975 2.143 1.00 0.00 O ATOM 927 CB GLU A 54 -7.810 -6.125 4.638 1.00 0.00 C ATOM 928 CG GLU A 54 -9.080 -6.971 4.756 1.00 0.00 C ATOM 929 CD GLU A 54 -9.717 -6.745 6.128 1.00 0.00 C ATOM 930 OE1 GLU A 54 -10.433 -5.767 6.273 1.00 0.00 O ATOM 931 OE2 GLU A 54 -9.479 -7.552 7.011 1.00 0.00 O ATOM 0 H GLU A 54 -5.589 -6.432 3.756 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.206 -6.394 2.527 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.962 -6.661 5.065 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.921 -5.201 5.205 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.783 -6.702 3.968 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.841 -8.026 4.624 1.00 0.00 H new ATOM 938 N ARG A 55 -6.958 -3.471 3.379 1.00 0.00 N ATOM 939 CA ARG A 55 -7.110 -2.021 3.094 1.00 0.00 C ATOM 940 C ARG A 55 -6.587 -1.738 1.689 1.00 0.00 C ATOM 941 O ARG A 55 -7.154 -0.972 0.942 1.00 0.00 O ATOM 942 CB ARG A 55 -6.252 -1.306 4.137 1.00 0.00 C ATOM 943 CG ARG A 55 -6.798 -1.595 5.534 1.00 0.00 C ATOM 944 CD ARG A 55 -8.175 -0.946 5.690 1.00 0.00 C ATOM 945 NE ARG A 55 -7.937 0.510 5.470 1.00 0.00 N ATOM 946 CZ ARG A 55 -8.941 1.336 5.290 1.00 0.00 C ATOM 947 NH1 ARG A 55 -10.177 0.906 5.302 1.00 0.00 N ATOM 948 NH2 ARG A 55 -8.702 2.603 5.096 1.00 0.00 N ATOM 0 H ARG A 55 -6.177 -3.713 3.988 1.00 0.00 H new ATOM 0 HA ARG A 55 -8.147 -1.689 3.142 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.217 -1.641 4.063 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -6.253 -0.232 3.950 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -6.872 -2.671 5.691 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.115 -1.208 6.290 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -8.885 -1.345 4.965 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.591 -1.134 6.680 1.00 0.00 H new ATOM 0 HE ARG A 55 -6.982 0.868 5.459 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -10.371 -0.084 5.453 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -10.946 1.561 5.161 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -7.741 2.945 5.085 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -9.476 3.252 4.955 1.00 0.00 H new ATOM 962 N ALA A 56 -5.521 -2.381 1.306 1.00 0.00 N ATOM 963 CA ALA A 56 -4.999 -2.169 -0.060 1.00 0.00 C ATOM 964 C ALA A 56 -6.053 -2.687 -1.043 1.00 0.00 C ATOM 965 O ALA A 56 -6.110 -2.281 -2.189 1.00 0.00 O ATOM 966 CB ALA A 56 -3.692 -2.971 -0.118 1.00 0.00 C ATOM 0 H ALA A 56 -4.995 -3.040 1.880 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.802 -1.127 -0.314 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.243 -2.863 -1.105 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.002 -2.597 0.638 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.902 -4.024 0.072 1.00 0.00 H new ATOM 972 N ARG A 57 -6.920 -3.563 -0.581 1.00 0.00 N ATOM 973 CA ARG A 57 -7.994 -4.083 -1.457 1.00 0.00 C ATOM 974 C ARG A 57 -9.219 -3.159 -1.372 1.00 0.00 C ATOM 975 O ARG A 57 -10.048 -3.124 -2.258 1.00 0.00 O ATOM 976 CB ARG A 57 -8.325 -5.472 -0.911 1.00 0.00 C ATOM 977 CG ARG A 57 -9.449 -6.095 -1.740 1.00 0.00 C ATOM 978 CD ARG A 57 -8.946 -7.381 -2.401 1.00 0.00 C ATOM 979 NE ARG A 57 -9.859 -7.602 -3.558 1.00 0.00 N ATOM 980 CZ ARG A 57 -11.073 -8.070 -3.378 1.00 0.00 C ATOM 981 NH1 ARG A 57 -11.515 -8.354 -2.179 1.00 0.00 N ATOM 982 NH2 ARG A 57 -11.849 -8.254 -4.411 1.00 0.00 N ATOM 0 H ARG A 57 -6.920 -3.934 0.369 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.694 -4.129 -2.504 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.440 -6.107 -0.944 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.627 -5.401 0.134 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.307 -6.313 -1.103 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.787 -5.391 -2.501 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.911 -7.278 -2.729 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.978 -8.221 -1.707 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.537 -7.387 -4.502 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.914 -8.213 -1.367 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.460 -8.717 -2.057 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.511 -8.035 -5.348 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.793 -8.617 -4.281 1.00 0.00 H new ATOM 996 N TYR A 58 -9.315 -2.391 -0.314 1.00 0.00 N ATOM 997 CA TYR A 58 -10.449 -1.439 -0.154 1.00 0.00 C ATOM 998 C TYR A 58 -10.319 -0.391 -1.240 1.00 0.00 C ATOM 999 O TYR A 58 -11.243 -0.056 -1.958 1.00 0.00 O ATOM 1000 CB TYR A 58 -10.208 -0.828 1.241 1.00 0.00 C ATOM 1001 CG TYR A 58 -10.682 0.617 1.344 1.00 0.00 C ATOM 1002 CD1 TYR A 58 -11.886 1.016 0.749 1.00 0.00 C ATOM 1003 CD2 TYR A 58 -9.912 1.555 2.051 1.00 0.00 C ATOM 1004 CE1 TYR A 58 -12.318 2.342 0.857 1.00 0.00 C ATOM 1005 CE2 TYR A 58 -10.350 2.880 2.162 1.00 0.00 C ATOM 1006 CZ TYR A 58 -11.552 3.273 1.565 1.00 0.00 C ATOM 1007 OH TYR A 58 -11.981 4.580 1.675 1.00 0.00 O ATOM 0 H TYR A 58 -8.644 -2.386 0.454 1.00 0.00 H new ATOM 0 HA TYR A 58 -11.441 -1.883 -0.233 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -10.724 -1.429 1.990 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -9.144 -0.874 1.474 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -12.482 0.298 0.206 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -8.982 1.254 2.509 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -13.244 2.647 0.393 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.759 3.599 2.709 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.277 5.183 1.357 1.00 0.00 H new ATOM 1017 N TRP A 59 -9.148 0.123 -1.327 1.00 0.00 N ATOM 1018 CA TRP A 59 -8.843 1.169 -2.317 1.00 0.00 C ATOM 1019 C TRP A 59 -9.004 0.612 -3.716 1.00 0.00 C ATOM 1020 O TRP A 59 -9.782 1.102 -4.506 1.00 0.00 O ATOM 1021 CB TRP A 59 -7.415 1.553 -1.996 1.00 0.00 C ATOM 1022 CG TRP A 59 -7.479 2.317 -0.728 1.00 0.00 C ATOM 1023 CD1 TRP A 59 -6.998 1.931 0.473 1.00 0.00 C ATOM 1024 CD2 TRP A 59 -8.129 3.581 -0.527 1.00 0.00 C ATOM 1025 NE1 TRP A 59 -7.299 2.916 1.403 1.00 0.00 N ATOM 1026 CE2 TRP A 59 -8.001 3.958 0.825 1.00 0.00 C ATOM 1027 CE3 TRP A 59 -8.805 4.430 -1.402 1.00 0.00 C ATOM 1028 CZ2 TRP A 59 -8.537 5.156 1.296 1.00 0.00 C ATOM 1029 CZ3 TRP A 59 -9.349 5.633 -0.941 1.00 0.00 C ATOM 1030 CH2 TRP A 59 -9.216 5.998 0.406 1.00 0.00 C ATOM 0 H TRP A 59 -8.361 -0.144 -0.736 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.504 2.034 -2.276 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.787 0.669 -1.889 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.983 2.156 -2.795 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -6.469 1.012 0.676 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -7.036 2.877 2.388 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.909 4.157 -2.442 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -8.430 5.431 2.335 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -9.874 6.283 -1.625 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -9.637 6.928 0.757 1.00 0.00 H new ATOM 1041 N LEU A 60 -8.314 -0.445 -4.017 1.00 0.00 N ATOM 1042 CA LEU A 60 -8.483 -1.066 -5.358 1.00 0.00 C ATOM 1043 C LEU A 60 -9.977 -1.328 -5.586 1.00 0.00 C ATOM 1044 O LEU A 60 -10.442 -1.420 -6.706 1.00 0.00 O ATOM 1045 CB LEU A 60 -7.703 -2.380 -5.299 1.00 0.00 C ATOM 1046 CG LEU A 60 -6.221 -2.107 -5.554 1.00 0.00 C ATOM 1047 CD1 LEU A 60 -5.382 -3.229 -4.941 1.00 0.00 C ATOM 1048 CD2 LEU A 60 -5.968 -2.048 -7.062 1.00 0.00 C ATOM 0 H LEU A 60 -7.645 -0.905 -3.400 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.123 -0.436 -6.172 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.834 -2.849 -4.324 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.088 -3.077 -6.043 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.943 -1.156 -5.099 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.325 -3.034 -5.123 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.563 -3.274 -3.867 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.659 -4.180 -5.395 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.911 -1.853 -7.246 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.246 -3.000 -7.515 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.566 -1.249 -7.500 1.00 0.00 H new ATOM 1060 N SER A 61 -10.735 -1.428 -4.516 1.00 0.00 N ATOM 1061 CA SER A 61 -12.195 -1.659 -4.653 1.00 0.00 C ATOM 1062 C SER A 61 -12.921 -0.335 -4.929 1.00 0.00 C ATOM 1063 O SER A 61 -14.036 -0.324 -5.409 1.00 0.00 O ATOM 1064 CB SER A 61 -12.638 -2.244 -3.313 1.00 0.00 C ATOM 1065 OG SER A 61 -12.787 -3.653 -3.439 1.00 0.00 O ATOM 0 H SER A 61 -10.396 -1.358 -3.556 1.00 0.00 H new ATOM 0 HA SER A 61 -12.427 -2.327 -5.483 1.00 0.00 H new ATOM 0 HB2 SER A 61 -11.903 -2.012 -2.542 1.00 0.00 H new ATOM 0 HB3 SER A 61 -13.580 -1.794 -3.001 1.00 0.00 H new ATOM 0 HG SER A 61 -11.969 -4.097 -3.133 1.00 0.00 H new ATOM 1071 N VAL A 62 -12.304 0.785 -4.635 1.00 0.00 N ATOM 1072 CA VAL A 62 -12.978 2.083 -4.894 1.00 0.00 C ATOM 1073 C VAL A 62 -12.472 2.670 -6.212 1.00 0.00 C ATOM 1074 O VAL A 62 -12.388 3.869 -6.386 1.00 0.00 O ATOM 1075 CB VAL A 62 -12.628 3.007 -3.705 1.00 0.00 C ATOM 1076 CG1 VAL A 62 -12.785 2.265 -2.374 1.00 0.00 C ATOM 1077 CG2 VAL A 62 -11.187 3.528 -3.817 1.00 0.00 C ATOM 0 H VAL A 62 -11.370 0.850 -4.230 1.00 0.00 H new ATOM 0 HA VAL A 62 -14.058 1.968 -4.981 1.00 0.00 H new ATOM 0 HB VAL A 62 -13.319 3.850 -3.735 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -12.533 2.935 -1.552 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -13.816 1.928 -2.265 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -12.118 1.403 -2.357 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -10.967 4.175 -2.968 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.495 2.686 -3.820 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.075 4.093 -4.742 1.00 0.00 H new ATOM 1087 N GLY A 63 -12.133 1.821 -7.133 1.00 0.00 N ATOM 1088 CA GLY A 63 -11.625 2.303 -8.448 1.00 0.00 C ATOM 1089 C GLY A 63 -10.238 2.926 -8.265 1.00 0.00 C ATOM 1090 O GLY A 63 -9.841 3.803 -9.007 1.00 0.00 O ATOM 0 H GLY A 63 -12.185 0.807 -7.035 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.573 1.475 -9.155 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -12.312 3.037 -8.868 1.00 0.00 H new ATOM 1094 N ALA A 64 -9.496 2.483 -7.284 1.00 0.00 N ATOM 1095 CA ALA A 64 -8.140 3.060 -7.063 1.00 0.00 C ATOM 1096 C ALA A 64 -7.194 2.628 -8.188 1.00 0.00 C ATOM 1097 O ALA A 64 -7.268 1.521 -8.682 1.00 0.00 O ATOM 1098 CB ALA A 64 -7.680 2.493 -5.718 1.00 0.00 C ATOM 0 H ALA A 64 -9.770 1.750 -6.630 1.00 0.00 H new ATOM 0 HA ALA A 64 -8.148 4.150 -7.059 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.686 2.873 -5.484 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.377 2.797 -4.937 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.649 1.405 -5.773 1.00 0.00 H new ATOM 1104 N GLN A 65 -6.305 3.493 -8.599 1.00 0.00 N ATOM 1105 CA GLN A 65 -5.361 3.127 -9.695 1.00 0.00 C ATOM 1106 C GLN A 65 -3.951 2.887 -9.134 1.00 0.00 C ATOM 1107 O GLN A 65 -3.260 3.824 -8.786 1.00 0.00 O ATOM 1108 CB GLN A 65 -5.355 4.330 -10.640 1.00 0.00 C ATOM 1109 CG GLN A 65 -6.780 4.624 -11.112 1.00 0.00 C ATOM 1110 CD GLN A 65 -7.027 3.930 -12.453 1.00 0.00 C ATOM 1111 OE1 GLN A 65 -7.148 2.723 -12.513 1.00 0.00 O ATOM 1112 NE2 GLN A 65 -7.103 4.647 -13.542 1.00 0.00 N ATOM 0 H GLN A 65 -6.192 4.435 -8.224 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.664 2.210 -10.200 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -4.943 5.202 -10.131 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.712 4.128 -11.497 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.499 4.274 -10.371 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.926 5.699 -11.215 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -7.002 5.661 -13.493 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.264 4.193 -14.441 1.00 0.00 H new ATOM 1121 N PRO A 66 -3.566 1.636 -9.064 1.00 0.00 N ATOM 1122 CA PRO A 66 -2.222 1.288 -8.544 1.00 0.00 C ATOM 1123 C PRO A 66 -1.162 1.475 -9.638 1.00 0.00 C ATOM 1124 O PRO A 66 -1.386 1.160 -10.790 1.00 0.00 O ATOM 1125 CB PRO A 66 -2.362 -0.183 -8.172 1.00 0.00 C ATOM 1126 CG PRO A 66 -3.459 -0.717 -9.040 1.00 0.00 C ATOM 1127 CD PRO A 66 -4.332 0.444 -9.449 1.00 0.00 C ATOM 0 HA PRO A 66 -1.907 1.910 -7.706 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -1.430 -0.721 -8.344 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.607 -0.298 -7.116 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.044 -1.211 -9.919 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -4.043 -1.463 -8.501 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.533 0.431 -10.520 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.297 0.412 -8.943 1.00 0.00 H new ATOM 1135 N THR A 67 -0.008 1.983 -9.291 1.00 0.00 N ATOM 1136 CA THR A 67 1.059 2.184 -10.318 1.00 0.00 C ATOM 1137 C THR A 67 1.648 0.835 -10.738 1.00 0.00 C ATOM 1138 O THR A 67 1.473 -0.159 -10.069 1.00 0.00 O ATOM 1139 CB THR A 67 2.121 3.041 -9.626 1.00 0.00 C ATOM 1140 OG1 THR A 67 2.575 2.374 -8.455 1.00 0.00 O ATOM 1141 CG2 THR A 67 1.519 4.394 -9.244 1.00 0.00 C ATOM 0 H THR A 67 0.242 2.267 -8.344 1.00 0.00 H new ATOM 0 HA THR A 67 0.678 2.660 -11.222 1.00 0.00 H new ATOM 0 HB THR A 67 2.960 3.199 -10.304 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.257 2.920 -8.011 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.277 5.003 -8.751 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.171 4.904 -10.142 1.00 0.00 H new ATOM 0 HG23 THR A 67 0.680 4.240 -8.566 1.00 0.00 H new ATOM 1149 N ASP A 68 2.344 0.789 -11.841 1.00 0.00 N ATOM 1150 CA ASP A 68 2.937 -0.505 -12.295 1.00 0.00 C ATOM 1151 C ASP A 68 3.901 -1.059 -11.241 1.00 0.00 C ATOM 1152 O ASP A 68 4.177 -2.242 -11.199 1.00 0.00 O ATOM 1153 CB ASP A 68 3.687 -0.167 -13.583 1.00 0.00 C ATOM 1154 CG ASP A 68 4.047 -1.460 -14.315 1.00 0.00 C ATOM 1155 OD1 ASP A 68 3.206 -2.343 -14.365 1.00 0.00 O ATOM 1156 OD2 ASP A 68 5.156 -1.546 -14.812 1.00 0.00 O ATOM 0 H ASP A 68 2.528 1.588 -12.447 1.00 0.00 H new ATOM 0 HA ASP A 68 2.176 -1.269 -12.452 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.070 0.465 -14.221 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.591 0.398 -13.353 1.00 0.00 H new ATOM 1161 N THR A 69 4.415 -0.216 -10.391 1.00 0.00 N ATOM 1162 CA THR A 69 5.363 -0.695 -9.340 1.00 0.00 C ATOM 1163 C THR A 69 4.607 -1.026 -8.054 1.00 0.00 C ATOM 1164 O THR A 69 4.790 -2.073 -7.464 1.00 0.00 O ATOM 1165 CB THR A 69 6.294 0.477 -9.100 1.00 0.00 C ATOM 1166 OG1 THR A 69 6.748 0.990 -10.344 1.00 0.00 O ATOM 1167 CG2 THR A 69 7.491 0.038 -8.249 1.00 0.00 C ATOM 0 H THR A 69 4.221 0.785 -10.376 1.00 0.00 H new ATOM 0 HA THR A 69 5.893 -1.597 -9.645 1.00 0.00 H new ATOM 0 HB THR A 69 5.751 1.256 -8.565 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.348 1.748 -10.186 1.00 0.00 H new ATOM 0 HG21 THR A 69 8.152 0.889 -8.084 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.137 -0.338 -7.289 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.037 -0.750 -8.768 1.00 0.00 H new ATOM 1175 N ALA A 70 3.755 -0.140 -7.616 1.00 0.00 N ATOM 1176 CA ALA A 70 2.989 -0.400 -6.377 1.00 0.00 C ATOM 1177 C ALA A 70 1.986 -1.506 -6.648 1.00 0.00 C ATOM 1178 O ALA A 70 1.654 -2.289 -5.782 1.00 0.00 O ATOM 1179 CB ALA A 70 2.279 0.912 -6.056 1.00 0.00 C ATOM 0 H ALA A 70 3.560 0.753 -8.068 1.00 0.00 H new ATOM 0 HA ALA A 70 3.618 -0.717 -5.545 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.690 0.794 -5.147 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.018 1.699 -5.910 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.621 1.181 -6.882 1.00 0.00 H new ATOM 1185 N ARG A 71 1.526 -1.596 -7.864 1.00 0.00 N ATOM 1186 CA ARG A 71 0.577 -2.669 -8.203 1.00 0.00 C ATOM 1187 C ARG A 71 1.325 -3.981 -8.077 1.00 0.00 C ATOM 1188 O ARG A 71 0.806 -4.974 -7.608 1.00 0.00 O ATOM 1189 CB ARG A 71 0.165 -2.416 -9.655 1.00 0.00 C ATOM 1190 CG ARG A 71 -0.822 -3.491 -10.113 1.00 0.00 C ATOM 1191 CD ARG A 71 -0.827 -3.554 -11.642 1.00 0.00 C ATOM 1192 NE ARG A 71 -2.239 -3.860 -12.017 1.00 0.00 N ATOM 1193 CZ ARG A 71 -2.724 -5.070 -11.873 1.00 0.00 C ATOM 1194 NH1 ARG A 71 -1.989 -6.038 -11.385 1.00 0.00 N ATOM 1195 NH2 ARG A 71 -3.959 -5.313 -12.221 1.00 0.00 N ATOM 0 H ARG A 71 1.771 -0.970 -8.631 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.303 -2.698 -7.560 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.290 -1.430 -9.746 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.045 -2.421 -10.298 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.541 -4.459 -9.699 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.822 -3.264 -9.744 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.500 -2.609 -12.076 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.147 -4.324 -12.007 1.00 0.00 H new ATOM 0 HE ARG A 71 -2.833 -3.120 -12.390 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.024 -5.857 -11.110 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.382 -6.973 -11.280 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -4.538 -4.565 -12.601 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -4.344 -6.251 -12.112 1.00 0.00 H new ATOM 1209 N ARG A 72 2.572 -3.972 -8.467 1.00 0.00 N ATOM 1210 CA ARG A 72 3.385 -5.195 -8.355 1.00 0.00 C ATOM 1211 C ARG A 72 3.507 -5.551 -6.868 1.00 0.00 C ATOM 1212 O ARG A 72 3.637 -6.700 -6.497 1.00 0.00 O ATOM 1213 CB ARG A 72 4.727 -4.807 -9.022 1.00 0.00 C ATOM 1214 CG ARG A 72 5.939 -5.382 -8.279 1.00 0.00 C ATOM 1215 CD ARG A 72 6.070 -6.875 -8.585 1.00 0.00 C ATOM 1216 NE ARG A 72 7.535 -7.105 -8.749 1.00 0.00 N ATOM 1217 CZ ARG A 72 8.190 -6.582 -9.760 1.00 0.00 C ATOM 1218 NH1 ARG A 72 7.574 -5.858 -10.662 1.00 0.00 N ATOM 1219 NH2 ARG A 72 9.474 -6.789 -9.872 1.00 0.00 N ATOM 0 H ARG A 72 3.055 -3.163 -8.858 1.00 0.00 H new ATOM 0 HA ARG A 72 2.973 -6.081 -8.838 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.734 -5.163 -10.052 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.810 -3.721 -9.060 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.846 -4.858 -8.582 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.826 -5.229 -7.206 1.00 0.00 H new ATOM 0 HD2 ARG A 72 5.663 -7.482 -7.776 1.00 0.00 H new ATOM 0 HD3 ARG A 72 5.524 -7.142 -9.490 1.00 0.00 H new ATOM 0 HE ARG A 72 8.034 -7.676 -8.067 1.00 0.00 H new ATOM 0 HH11 ARG A 72 6.570 -5.693 -10.585 1.00 0.00 H new ATOM 0 HH12 ARG A 72 8.098 -5.459 -11.441 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.962 -7.354 -9.177 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.989 -6.386 -10.655 1.00 0.00 H new ATOM 1233 N LEU A 73 3.454 -4.558 -6.022 1.00 0.00 N ATOM 1234 CA LEU A 73 3.549 -4.806 -4.570 1.00 0.00 C ATOM 1235 C LEU A 73 2.172 -5.175 -4.032 1.00 0.00 C ATOM 1236 O LEU A 73 2.045 -5.987 -3.137 1.00 0.00 O ATOM 1237 CB LEU A 73 4.045 -3.491 -3.966 1.00 0.00 C ATOM 1238 CG LEU A 73 5.354 -3.074 -4.643 1.00 0.00 C ATOM 1239 CD1 LEU A 73 5.573 -1.571 -4.455 1.00 0.00 C ATOM 1240 CD2 LEU A 73 6.522 -3.834 -4.013 1.00 0.00 C ATOM 0 H LEU A 73 3.348 -3.578 -6.286 1.00 0.00 H new ATOM 0 HA LEU A 73 4.222 -5.627 -4.324 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.293 -2.713 -4.097 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.200 -3.608 -2.893 1.00 0.00 H new ATOM 0 HG LEU A 73 5.297 -3.306 -5.707 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.505 -1.276 -4.937 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.744 -1.024 -4.903 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.627 -1.341 -3.391 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.453 -3.536 -4.496 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.575 -3.603 -2.949 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.372 -4.906 -4.144 1.00 0.00 H new ATOM 1252 N LEU A 74 1.134 -4.616 -4.593 1.00 0.00 N ATOM 1253 CA LEU A 74 -0.223 -4.984 -4.126 1.00 0.00 C ATOM 1254 C LEU A 74 -0.426 -6.460 -4.439 1.00 0.00 C ATOM 1255 O LEU A 74 -1.112 -7.177 -3.738 1.00 0.00 O ATOM 1256 CB LEU A 74 -1.190 -4.118 -4.932 1.00 0.00 C ATOM 1257 CG LEU A 74 -1.092 -2.668 -4.468 1.00 0.00 C ATOM 1258 CD1 LEU A 74 -1.868 -1.774 -5.433 1.00 0.00 C ATOM 1259 CD2 LEU A 74 -1.689 -2.540 -3.065 1.00 0.00 C ATOM 0 H LEU A 74 1.170 -3.929 -5.346 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.376 -4.827 -3.058 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -0.955 -4.186 -5.994 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.210 -4.482 -4.807 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.046 -2.362 -4.447 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.799 -0.737 -5.103 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.445 -1.865 -6.434 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.914 -2.080 -5.452 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.619 -1.504 -2.733 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.735 -2.845 -3.086 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.138 -3.180 -2.375 1.00 0.00 H new ATOM 1271 N ARG A 75 0.202 -6.919 -5.490 1.00 0.00 N ATOM 1272 CA ARG A 75 0.094 -8.345 -5.870 1.00 0.00 C ATOM 1273 C ARG A 75 1.028 -9.160 -4.989 1.00 0.00 C ATOM 1274 O ARG A 75 0.818 -10.333 -4.752 1.00 0.00 O ATOM 1275 CB ARG A 75 0.545 -8.402 -7.328 1.00 0.00 C ATOM 1276 CG ARG A 75 -0.565 -9.015 -8.178 1.00 0.00 C ATOM 1277 CD ARG A 75 0.033 -9.581 -9.468 1.00 0.00 C ATOM 1278 NE ARG A 75 0.345 -8.385 -10.305 1.00 0.00 N ATOM 1279 CZ ARG A 75 0.632 -8.512 -11.580 1.00 0.00 C ATOM 1280 NH1 ARG A 75 0.653 -9.689 -12.151 1.00 0.00 N ATOM 1281 NH2 ARG A 75 0.901 -7.449 -12.288 1.00 0.00 N ATOM 0 H ARG A 75 0.790 -6.355 -6.103 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.913 -8.745 -5.749 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.782 -7.400 -7.686 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.455 -8.995 -7.416 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.070 -9.805 -7.621 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.316 -8.261 -8.413 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.930 -10.165 -9.264 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.671 -10.243 -9.972 1.00 0.00 H new ATOM 0 HE ARG A 75 0.335 -7.457 -9.881 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.445 -10.525 -11.605 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.878 -9.771 -13.143 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.887 -6.528 -11.850 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.125 -7.540 -13.279 1.00 0.00 H new ATOM 1295 N GLN A 76 2.059 -8.537 -4.495 1.00 0.00 N ATOM 1296 CA GLN A 76 3.005 -9.250 -3.626 1.00 0.00 C ATOM 1297 C GLN A 76 2.375 -9.458 -2.268 1.00 0.00 C ATOM 1298 O GLN A 76 2.562 -10.466 -1.617 1.00 0.00 O ATOM 1299 CB GLN A 76 4.207 -8.322 -3.552 1.00 0.00 C ATOM 1300 CG GLN A 76 5.413 -9.078 -3.003 1.00 0.00 C ATOM 1301 CD GLN A 76 5.781 -10.203 -3.969 1.00 0.00 C ATOM 1302 OE1 GLN A 76 6.043 -11.316 -3.555 1.00 0.00 O ATOM 1303 NE2 GLN A 76 5.814 -9.960 -5.251 1.00 0.00 N ATOM 0 H GLN A 76 2.280 -7.556 -4.663 1.00 0.00 H new ATOM 0 HA GLN A 76 3.284 -10.238 -3.993 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.434 -7.927 -4.542 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.980 -7.469 -2.913 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.257 -8.399 -2.877 1.00 0.00 H new ATOM 0 HG3 GLN A 76 5.184 -9.487 -2.019 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.594 -9.027 -5.599 1.00 0.00 H new ATOM 0 HE22 GLN A 76 6.059 -10.703 -5.905 1.00 0.00 H new ATOM 1312 N ALA A 77 1.606 -8.511 -1.858 1.00 0.00 N ATOM 1313 CA ALA A 77 0.915 -8.629 -0.554 1.00 0.00 C ATOM 1314 C ALA A 77 -0.215 -9.663 -0.644 1.00 0.00 C ATOM 1315 O ALA A 77 -0.849 -9.988 0.341 1.00 0.00 O ATOM 1316 CB ALA A 77 0.345 -7.243 -0.282 1.00 0.00 C ATOM 0 H ALA A 77 1.421 -7.649 -2.371 1.00 0.00 H new ATOM 0 HA ALA A 77 1.586 -8.958 0.239 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.184 -7.248 0.671 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.157 -6.517 -0.242 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.346 -6.971 -1.080 1.00 0.00 H new ATOM 1322 N GLY A 78 -0.478 -10.178 -1.820 1.00 0.00 N ATOM 1323 CA GLY A 78 -1.570 -11.183 -1.973 1.00 0.00 C ATOM 1324 C GLY A 78 -2.913 -10.459 -2.092 1.00 0.00 C ATOM 1325 O GLY A 78 -3.867 -10.792 -1.421 1.00 0.00 O ATOM 0 H GLY A 78 0.018 -9.944 -2.680 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.395 -11.795 -2.858 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.582 -11.857 -1.116 1.00 0.00 H new ATOM 1329 N VAL A 79 -2.991 -9.463 -2.937 1.00 0.00 N ATOM 1330 CA VAL A 79 -4.267 -8.711 -3.084 1.00 0.00 C ATOM 1331 C VAL A 79 -4.979 -9.063 -4.396 1.00 0.00 C ATOM 1332 O VAL A 79 -6.063 -8.584 -4.666 1.00 0.00 O ATOM 1333 CB VAL A 79 -3.865 -7.243 -3.082 1.00 0.00 C ATOM 1334 CG1 VAL A 79 -5.118 -6.366 -3.130 1.00 0.00 C ATOM 1335 CG2 VAL A 79 -3.067 -6.925 -1.814 1.00 0.00 C ATOM 0 H VAL A 79 -2.226 -9.141 -3.529 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.964 -8.955 -2.282 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.247 -7.041 -3.957 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.827 -5.316 -3.128 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.681 -6.585 -4.037 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.740 -6.572 -2.259 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.782 -5.873 -1.818 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.680 -7.132 -0.937 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.170 -7.544 -1.784 1.00 0.00 H new ATOM 1345 N PHE A 80 -4.384 -9.880 -5.222 1.00 0.00 N ATOM 1346 CA PHE A 80 -5.040 -10.234 -6.515 1.00 0.00 C ATOM 1347 C PHE A 80 -5.508 -11.694 -6.497 1.00 0.00 C ATOM 1348 O PHE A 80 -6.294 -12.111 -7.325 1.00 0.00 O ATOM 1349 CB PHE A 80 -3.956 -10.031 -7.578 1.00 0.00 C ATOM 1350 CG PHE A 80 -3.630 -8.557 -7.704 1.00 0.00 C ATOM 1351 CD1 PHE A 80 -3.032 -7.879 -6.636 1.00 0.00 C ATOM 1352 CD2 PHE A 80 -3.920 -7.869 -8.889 1.00 0.00 C ATOM 1353 CE1 PHE A 80 -2.726 -6.523 -6.751 1.00 0.00 C ATOM 1354 CE2 PHE A 80 -3.613 -6.506 -9.001 1.00 0.00 C ATOM 1355 CZ PHE A 80 -3.014 -5.834 -7.930 1.00 0.00 C ATOM 0 H PHE A 80 -3.476 -10.316 -5.060 1.00 0.00 H new ATOM 0 HA PHE A 80 -5.922 -9.624 -6.708 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -3.060 -10.589 -7.308 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -4.297 -10.421 -8.537 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.807 -8.407 -5.721 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -4.380 -8.389 -9.716 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -2.264 -6.004 -5.924 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.839 -5.975 -9.914 1.00 0.00 H new ATOM 0 HZ PHE A 80 -2.775 -4.784 -8.015 1.00 0.00 H new ATOM 1365 N ARG A 81 -5.034 -12.474 -5.563 1.00 0.00 N ATOM 1366 CA ARG A 81 -5.455 -13.904 -5.499 1.00 0.00 C ATOM 1367 C ARG A 81 -4.942 -14.548 -4.209 1.00 0.00 C ATOM 1368 O ARG A 81 -4.128 -13.983 -3.505 1.00 0.00 O ATOM 1369 CB ARG A 81 -4.817 -14.567 -6.724 1.00 0.00 C ATOM 1370 CG ARG A 81 -3.308 -14.297 -6.734 1.00 0.00 C ATOM 1371 CD ARG A 81 -2.555 -15.561 -6.314 1.00 0.00 C ATOM 1372 NE ARG A 81 -1.156 -15.103 -6.070 1.00 0.00 N ATOM 1373 CZ ARG A 81 -0.194 -15.965 -5.840 1.00 0.00 C ATOM 1374 NH1 ARG A 81 -0.435 -17.252 -5.814 1.00 0.00 N ATOM 1375 NH2 ARG A 81 1.021 -15.533 -5.637 1.00 0.00 N ATOM 0 H ARG A 81 -4.374 -12.183 -4.842 1.00 0.00 H new ATOM 0 HA ARG A 81 -6.539 -14.014 -5.499 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -5.003 -15.641 -6.706 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -5.271 -14.180 -7.636 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -2.991 -13.987 -7.730 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -3.071 -13.478 -6.055 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -2.990 -16.002 -5.417 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -2.593 -16.322 -7.093 1.00 0.00 H new ATOM 0 HE ARG A 81 -0.944 -14.105 -6.082 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -1.381 -17.597 -5.974 1.00 0.00 H new ATOM 0 HH12 ARG A 81 0.324 -17.909 -5.634 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.217 -14.532 -5.658 1.00 0.00 H new ATOM 0 HH22 ARG A 81 1.775 -16.196 -5.457 1.00 0.00 H new ATOM 1389 N GLN A 82 -5.412 -15.724 -3.892 1.00 0.00 N ATOM 1390 CA GLN A 82 -4.950 -16.400 -2.645 1.00 0.00 C ATOM 1391 C GLN A 82 -5.510 -17.824 -2.577 1.00 0.00 C ATOM 1392 O GLN A 82 -6.701 -18.040 -2.693 1.00 0.00 O ATOM 1393 CB GLN A 82 -5.507 -15.551 -1.502 1.00 0.00 C ATOM 1394 CG GLN A 82 -5.004 -16.101 -0.166 1.00 0.00 C ATOM 1395 CD GLN A 82 -6.148 -16.105 0.847 1.00 0.00 C ATOM 1396 OE1 GLN A 82 -6.905 -17.052 0.924 1.00 0.00 O ATOM 1397 NE2 GLN A 82 -6.308 -15.077 1.636 1.00 0.00 N ATOM 0 H GLN A 82 -6.095 -16.246 -4.441 1.00 0.00 H new ATOM 0 HA GLN A 82 -3.864 -16.482 -2.599 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -5.196 -14.513 -1.621 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -6.597 -15.561 -1.525 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -4.618 -17.112 -0.299 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -4.179 -15.491 0.203 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -5.673 -14.281 1.572 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.068 -15.070 2.316 1.00 0.00 H new ATOM 1406 N GLU A 83 -4.661 -18.797 -2.392 1.00 0.00 N ATOM 1407 CA GLU A 83 -5.142 -20.207 -2.316 1.00 0.00 C ATOM 1408 C GLU A 83 -3.995 -21.134 -1.913 1.00 0.00 C ATOM 1409 O GLU A 83 -4.129 -21.964 -1.036 1.00 0.00 O ATOM 1410 CB GLU A 83 -5.629 -20.538 -3.727 1.00 0.00 C ATOM 1411 CG GLU A 83 -6.923 -21.350 -3.644 1.00 0.00 C ATOM 1412 CD GLU A 83 -6.584 -22.830 -3.446 1.00 0.00 C ATOM 1413 OE1 GLU A 83 -5.526 -23.108 -2.907 1.00 0.00 O ATOM 1414 OE2 GLU A 83 -7.391 -23.659 -3.835 1.00 0.00 O ATOM 0 H GLU A 83 -3.653 -18.677 -2.290 1.00 0.00 H new ATOM 0 HA GLU A 83 -5.930 -20.335 -1.574 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -5.799 -19.620 -4.289 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -4.866 -21.103 -4.263 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -7.537 -20.993 -2.817 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -7.507 -21.218 -4.555 1.00 0.00 H new ATOM 1421 N ALA A 84 -2.868 -20.995 -2.549 1.00 0.00 N ATOM 1422 CA ALA A 84 -1.701 -21.862 -2.213 1.00 0.00 C ATOM 1423 C ALA A 84 -0.484 -21.449 -3.043 1.00 0.00 C ATOM 1424 O ALA A 84 -0.602 -20.748 -4.028 1.00 0.00 O ATOM 1425 CB ALA A 84 -2.140 -23.281 -2.578 1.00 0.00 C ATOM 0 H ALA A 84 -2.701 -20.316 -3.291 1.00 0.00 H new ATOM 0 HA ALA A 84 -1.416 -21.782 -1.164 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -1.332 -23.979 -2.359 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -3.021 -23.551 -1.995 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.380 -23.326 -3.640 1.00 0.00 H new ATOM 1431 N ARG A 85 0.686 -21.875 -2.653 1.00 0.00 N ATOM 1432 CA ARG A 85 1.906 -21.503 -3.422 1.00 0.00 C ATOM 1433 C ARG A 85 2.491 -22.733 -4.127 1.00 0.00 C ATOM 1434 O ARG A 85 3.622 -22.724 -4.572 1.00 0.00 O ATOM 1435 CB ARG A 85 2.883 -20.965 -2.377 1.00 0.00 C ATOM 1436 CG ARG A 85 2.282 -19.727 -1.707 1.00 0.00 C ATOM 1437 CD ARG A 85 3.162 -18.509 -1.999 1.00 0.00 C ATOM 1438 NE ARG A 85 2.955 -17.598 -0.835 1.00 0.00 N ATOM 1439 CZ ARG A 85 3.612 -16.466 -0.741 1.00 0.00 C ATOM 1440 NH1 ARG A 85 4.473 -16.108 -1.661 1.00 0.00 N ATOM 1441 NH2 ARG A 85 3.406 -15.687 0.286 1.00 0.00 N ATOM 0 H ARG A 85 0.849 -22.464 -1.836 1.00 0.00 H new ATOM 0 HA ARG A 85 1.694 -20.769 -4.199 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.091 -21.731 -1.630 1.00 0.00 H new ATOM 0 HB3 ARG A 85 3.833 -20.712 -2.848 1.00 0.00 H new ATOM 0 HG2 ARG A 85 1.271 -19.555 -2.077 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.206 -19.884 -0.631 1.00 0.00 H new ATOM 0 HD2 ARG A 85 4.210 -18.793 -2.097 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.873 -18.028 -2.934 1.00 0.00 H new ATOM 0 HE ARG A 85 2.294 -17.859 -0.103 1.00 0.00 H new ATOM 0 HH11 ARG A 85 4.641 -16.712 -2.465 1.00 0.00 H new ATOM 0 HH12 ARG A 85 4.976 -15.225 -1.573 1.00 0.00 H new ATOM 0 HH21 ARG A 85 2.739 -15.960 1.007 1.00 0.00 H new ATOM 0 HH22 ARG A 85 3.912 -14.805 0.367 1.00 0.00 H new ATOM 1455 N GLU A 86 1.732 -23.791 -4.232 1.00 0.00 N ATOM 1456 CA GLU A 86 2.249 -25.012 -4.907 1.00 0.00 C ATOM 1457 C GLU A 86 2.322 -24.790 -6.420 1.00 0.00 C ATOM 1458 O GLU A 86 1.384 -24.319 -7.034 1.00 0.00 O ATOM 1459 CB GLU A 86 1.239 -26.110 -4.569 1.00 0.00 C ATOM 1460 CG GLU A 86 1.323 -26.435 -3.076 1.00 0.00 C ATOM 1461 CD GLU A 86 0.840 -27.866 -2.834 1.00 0.00 C ATOM 1462 OE1 GLU A 86 -0.321 -28.131 -3.100 1.00 0.00 O ATOM 1463 OE2 GLU A 86 1.638 -28.672 -2.385 1.00 0.00 O ATOM 0 H GLU A 86 0.777 -23.861 -3.879 1.00 0.00 H new ATOM 0 HA GLU A 86 3.255 -25.272 -4.578 1.00 0.00 H new ATOM 0 HB2 GLU A 86 0.231 -25.784 -4.825 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.445 -27.003 -5.159 1.00 0.00 H new ATOM 0 HG2 GLU A 86 2.349 -26.323 -2.726 1.00 0.00 H new ATOM 0 HG3 GLU A 86 0.714 -25.734 -2.506 1.00 0.00 H new ATOM 1470 N GLY A 87 3.427 -25.127 -7.026 1.00 0.00 N ATOM 1471 CA GLY A 87 3.559 -24.934 -8.498 1.00 0.00 C ATOM 1472 C GLY A 87 4.678 -23.931 -8.785 1.00 0.00 C ATOM 1473 O GLY A 87 5.834 -24.178 -8.505 1.00 0.00 O ATOM 0 H GLY A 87 4.244 -25.528 -6.566 1.00 0.00 H new ATOM 0 HA2 GLY A 87 3.777 -25.886 -8.982 1.00 0.00 H new ATOM 0 HA3 GLY A 87 2.618 -24.573 -8.914 1.00 0.00 H new ATOM 1477 N ALA A 88 4.344 -22.799 -9.343 1.00 0.00 N ATOM 1478 CA ALA A 88 5.389 -21.780 -9.648 1.00 0.00 C ATOM 1479 C ALA A 88 5.233 -20.568 -8.725 1.00 0.00 C ATOM 1480 O ALA A 88 6.123 -20.342 -7.922 1.00 0.00 O ATOM 1481 CB ALA A 88 5.140 -21.382 -11.103 1.00 0.00 C ATOM 1482 OXT ALA A 88 4.226 -19.889 -8.838 1.00 0.00 O ATOM 0 H ALA A 88 3.393 -22.536 -9.601 1.00 0.00 H new ATOM 0 HA ALA A 88 6.398 -22.165 -9.497 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.871 -20.632 -11.405 1.00 0.00 H new ATOM 0 HB2 ALA A 88 5.236 -22.260 -11.742 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.136 -20.970 -11.201 1.00 0.00 H new TER 1488 ALA A 88