USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 874 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 0 SER OG : rot -48:sc= 0.354 USER MOD Set 1.2: A 3 GLN : amide:sc= -3.15 K(o=-2.8,f=-3.7!) USER MOD Single : A 5 SER OG : rot -80:sc= 1.16 USER MOD Single : A 6 LYS NZ :NH3+ -169:sc= -0.0115 (180deg=-0.147) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -1 GLY N :NH3+ -170:sc= 0 (180deg=-0.0984) USER MOD Single : A 12 THR OG1 : rot -45:sc= 1.27 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -1.35 X(o=-1.4,f=-1.4) USER MOD Single : A 16 GLN : amide:sc= -0.421 X(o=-0.42,f=-0.062) USER MOD Single : A 19 ASN : amide:sc= -0.0229 X(o=-0.023,f=0.043) USER MOD Single : A 22 SER OG : rot 180:sc= -1.05 USER MOD Single : A 31 THR OG1 : rot 60:sc= 1.21 USER MOD Single : A 38 ASN : amide:sc= -2.02 X(o=-2,f=-2.3) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0271 USER MOD Single : A 47 HIS :FLIP no HE2:sc= -2.93 F(o=-5.5!,f=-2.9) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -121:sc= -0.0784 (180deg=-3.16!) USER MOD Single : A 51 GLN : amide:sc= -0.235 K(o=-0.23,f=-1.2) USER MOD Single : A 54 THR OG1 : rot -72:sc= 1.24 USER MOD Single : A 55 ASN : amide:sc= -0.814 K(o=-0.81,f=-2.8!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN :FLIP amide:sc= -0.938! C(o=-2.5!,f=-0.94!) USER MOD Single : A 74 GLN : amide:sc= -1.05 K(o=-1.1,f=-1.9) USER MOD Single : A 79 HIS : no HD1:sc= -1.1 X(o=-1.1,f=-0.97) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 ASN : amide:sc= -0.865 K(o=-0.86,f=-2.1!) USER MOD Single : A 90 GLN : amide:sc= -0.869 K(o=-0.87,f=-2.4) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.915 K(o=-0.91,f=-5.6!) USER MOD Single : A 95 HIS : no HD1:sc=-0.00705 X(o=-0.007,f=-0.14) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=-0.0037) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 3.616 -1.800 -0.029 1.00 0.00 N ATOM 2 CA GLY A -1 2.224 -1.419 -0.176 1.00 0.00 C ATOM 3 C GLY A -1 1.629 -1.889 -1.488 1.00 0.00 C ATOM 4 O GLY A -1 0.456 -2.258 -1.550 1.00 0.00 O ATOM 0 H1 GLY A -1 3.928 -1.608 0.944 1.00 0.00 H new ATOM 0 H2 GLY A -1 3.722 -2.814 -0.232 1.00 0.00 H new ATOM 0 H3 GLY A -1 4.198 -1.251 -0.694 1.00 0.00 H new ATOM 0 HA2 GLY A -1 1.648 -1.835 0.650 1.00 0.00 H new ATOM 0 HA3 GLY A -1 2.139 -0.334 -0.110 1.00 0.00 H new ATOM 8 N SER A 0 2.440 -1.876 -2.542 1.00 0.00 N ATOM 9 CA SER A 0 1.986 -2.300 -3.861 1.00 0.00 C ATOM 10 C SER A 0 2.878 -3.407 -4.413 1.00 0.00 C ATOM 11 O SER A 0 3.169 -3.447 -5.608 1.00 0.00 O ATOM 12 CB SER A 0 1.973 -1.112 -4.825 1.00 0.00 C ATOM 13 OG SER A 0 0.988 -0.164 -4.453 1.00 0.00 O ATOM 0 H SER A 0 3.414 -1.576 -2.508 1.00 0.00 H new ATOM 0 HA SER A 0 0.973 -2.690 -3.761 1.00 0.00 H new ATOM 0 HB2 SER A 0 2.954 -0.637 -4.835 1.00 0.00 H new ATOM 0 HB3 SER A 0 1.779 -1.464 -5.838 1.00 0.00 H new ATOM 0 HG SER A 0 0.140 -0.624 -4.280 1.00 0.00 H new ATOM 19 N ALA A 1 3.308 -4.306 -3.533 1.00 0.00 N ATOM 20 CA ALA A 1 4.165 -5.415 -3.931 1.00 0.00 C ATOM 21 C ALA A 1 3.341 -6.657 -4.254 1.00 0.00 C ATOM 22 O ALA A 1 3.459 -7.227 -5.339 1.00 0.00 O ATOM 23 CB ALA A 1 5.176 -5.721 -2.836 1.00 0.00 C ATOM 0 H ALA A 1 3.076 -4.287 -2.540 1.00 0.00 H new ATOM 0 HA ALA A 1 4.701 -5.121 -4.833 1.00 0.00 H new ATOM 0 HB1 ALA A 1 5.809 -6.552 -3.147 1.00 0.00 H new ATOM 0 HB2 ALA A 1 5.794 -4.841 -2.655 1.00 0.00 H new ATOM 0 HB3 ALA A 1 4.650 -5.989 -1.920 1.00 0.00 H new ATOM 29 N ARG A 2 2.507 -7.072 -3.306 1.00 0.00 N ATOM 30 CA ARG A 2 1.665 -8.247 -3.490 1.00 0.00 C ATOM 31 C ARG A 2 0.718 -8.059 -4.671 1.00 0.00 C ATOM 32 O ARG A 2 0.443 -9.000 -5.414 1.00 0.00 O ATOM 33 CB ARG A 2 0.862 -8.529 -2.219 1.00 0.00 C ATOM 34 CG ARG A 2 1.256 -9.823 -1.524 1.00 0.00 C ATOM 35 CD ARG A 2 1.063 -11.025 -2.434 1.00 0.00 C ATOM 36 NE ARG A 2 0.839 -12.254 -1.677 1.00 0.00 N ATOM 37 CZ ARG A 2 -0.338 -12.597 -1.165 1.00 0.00 C ATOM 38 NH1 ARG A 2 -1.391 -11.808 -1.327 1.00 0.00 N ATOM 39 NH2 ARG A 2 -0.463 -13.732 -0.488 1.00 0.00 N ATOM 0 H ARG A 2 2.397 -6.611 -2.403 1.00 0.00 H new ATOM 0 HA ARG A 2 2.313 -9.098 -3.699 1.00 0.00 H new ATOM 0 HB2 ARG A 2 0.993 -7.699 -1.525 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -0.198 -8.570 -2.470 1.00 0.00 H new ATOM 0 HG2 ARG A 2 2.298 -9.766 -1.211 1.00 0.00 H new ATOM 0 HG3 ARG A 2 0.658 -9.949 -0.621 1.00 0.00 H new ATOM 0 HD2 ARG A 2 0.215 -10.847 -3.095 1.00 0.00 H new ATOM 0 HD3 ARG A 2 1.942 -11.145 -3.068 1.00 0.00 H new ATOM 0 HE ARG A 2 1.629 -12.883 -1.534 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -1.299 -10.935 -1.846 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -2.293 -12.074 -0.933 1.00 0.00 H new ATOM 0 HH21 ARG A 2 0.345 -14.341 -0.361 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -1.367 -13.995 -0.095 1.00 0.00 H new ATOM 53 N GLN A 3 0.223 -6.836 -4.837 1.00 0.00 N ATOM 54 CA GLN A 3 -0.694 -6.525 -5.927 1.00 0.00 C ATOM 55 C GLN A 3 -0.022 -6.734 -7.280 1.00 0.00 C ATOM 56 O GLN A 3 -0.655 -7.183 -8.237 1.00 0.00 O ATOM 57 CB GLN A 3 -1.190 -5.083 -5.808 1.00 0.00 C ATOM 58 CG GLN A 3 -0.071 -4.055 -5.779 1.00 0.00 C ATOM 59 CD GLN A 3 -0.587 -2.632 -5.697 1.00 0.00 C ATOM 60 OE1 GLN A 3 -1.081 -2.197 -4.656 1.00 0.00 O ATOM 61 NE2 GLN A 3 -0.477 -1.897 -6.798 1.00 0.00 N ATOM 0 H GLN A 3 0.442 -6.045 -4.231 1.00 0.00 H new ATOM 0 HA GLN A 3 -1.545 -7.202 -5.856 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -1.851 -4.865 -6.647 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -1.785 -4.986 -4.900 1.00 0.00 H new ATOM 0 HG2 GLN A 3 0.576 -4.252 -4.925 1.00 0.00 H new ATOM 0 HG3 GLN A 3 0.541 -4.164 -6.674 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -0.061 -2.297 -7.639 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -0.808 -0.932 -6.802 1.00 0.00 H new ATOM 70 N LEU A 4 1.263 -6.406 -7.354 1.00 0.00 N ATOM 71 CA LEU A 4 2.022 -6.557 -8.590 1.00 0.00 C ATOM 72 C LEU A 4 2.713 -7.916 -8.642 1.00 0.00 C ATOM 73 O LEU A 4 3.269 -8.302 -9.671 1.00 0.00 O ATOM 74 CB LEU A 4 3.059 -5.440 -8.716 1.00 0.00 C ATOM 75 CG LEU A 4 2.515 -4.011 -8.672 1.00 0.00 C ATOM 76 CD1 LEU A 4 3.605 -3.014 -9.035 1.00 0.00 C ATOM 77 CD2 LEU A 4 1.324 -3.866 -9.607 1.00 0.00 C ATOM 0 H LEU A 4 1.801 -6.033 -6.572 1.00 0.00 H new ATOM 0 HA LEU A 4 1.325 -6.492 -9.425 1.00 0.00 H new ATOM 0 HB2 LEU A 4 3.787 -5.555 -7.913 1.00 0.00 H new ATOM 0 HB3 LEU A 4 3.596 -5.574 -9.655 1.00 0.00 H new ATOM 0 HG LEU A 4 2.182 -3.800 -7.656 1.00 0.00 H new ATOM 0 HD11 LEU A 4 3.200 -2.003 -8.999 1.00 0.00 H new ATOM 0 HD12 LEU A 4 4.428 -3.101 -8.326 1.00 0.00 H new ATOM 0 HD13 LEU A 4 3.969 -3.223 -10.041 1.00 0.00 H new ATOM 0 HD21 LEU A 4 0.949 -2.843 -9.563 1.00 0.00 H new ATOM 0 HD22 LEU A 4 1.632 -4.096 -10.627 1.00 0.00 H new ATOM 0 HD23 LEU A 4 0.536 -4.554 -9.302 1.00 0.00 H new ATOM 89 N SER A 5 2.672 -8.638 -7.527 1.00 0.00 N ATOM 90 CA SER A 5 3.296 -9.954 -7.445 1.00 0.00 C ATOM 91 C SER A 5 2.671 -10.915 -8.451 1.00 0.00 C ATOM 92 O SER A 5 3.236 -11.964 -8.760 1.00 0.00 O ATOM 93 CB SER A 5 3.159 -10.519 -6.030 1.00 0.00 C ATOM 94 OG SER A 5 1.877 -11.089 -5.830 1.00 0.00 O ATOM 0 H SER A 5 2.213 -8.334 -6.668 1.00 0.00 H new ATOM 0 HA SER A 5 4.354 -9.843 -7.684 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.927 -11.274 -5.861 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.326 -9.726 -5.301 1.00 0.00 H new ATOM 0 HG SER A 5 1.229 -10.379 -5.641 1.00 0.00 H new ATOM 100 N LYS A 6 1.499 -10.549 -8.961 1.00 0.00 N ATOM 101 CA LYS A 6 0.795 -11.376 -9.934 1.00 0.00 C ATOM 102 C LYS A 6 1.740 -11.841 -11.037 1.00 0.00 C ATOM 103 O LYS A 6 1.562 -12.918 -11.607 1.00 0.00 O ATOM 104 CB LYS A 6 -0.374 -10.599 -10.543 1.00 0.00 C ATOM 105 CG LYS A 6 -1.546 -11.479 -10.942 1.00 0.00 C ATOM 106 CD LYS A 6 -2.545 -10.722 -11.801 1.00 0.00 C ATOM 107 CE LYS A 6 -3.181 -9.572 -11.034 1.00 0.00 C ATOM 108 NZ LYS A 6 -4.024 -10.058 -9.907 1.00 0.00 N ATOM 0 H LYS A 6 1.017 -9.684 -8.716 1.00 0.00 H new ATOM 0 HA LYS A 6 0.409 -12.254 -9.416 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -0.717 -9.854 -9.825 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.022 -10.057 -11.421 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -1.180 -12.348 -11.489 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -2.044 -11.852 -10.047 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -2.044 -10.336 -12.689 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.322 -11.405 -12.145 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -2.400 -8.917 -10.648 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -3.790 -8.975 -11.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -4.584 -9.269 -9.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.664 -10.804 -10.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.414 -10.442 -9.157 1.00 0.00 H new ATOM 122 N LEU A 7 2.745 -11.024 -11.332 1.00 0.00 N ATOM 123 CA LEU A 7 3.720 -11.353 -12.367 1.00 0.00 C ATOM 124 C LEU A 7 4.938 -12.046 -11.767 1.00 0.00 C ATOM 125 O LEU A 7 5.537 -12.923 -12.390 1.00 0.00 O ATOM 126 CB LEU A 7 4.152 -10.087 -13.109 1.00 0.00 C ATOM 127 CG LEU A 7 5.590 -10.072 -13.628 1.00 0.00 C ATOM 128 CD1 LEU A 7 5.807 -11.192 -14.633 1.00 0.00 C ATOM 129 CD2 LEU A 7 5.918 -8.723 -14.251 1.00 0.00 C ATOM 0 H LEU A 7 2.906 -10.129 -10.870 1.00 0.00 H new ATOM 0 HA LEU A 7 3.248 -12.037 -13.073 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.480 -9.938 -13.954 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.019 -9.235 -12.442 1.00 0.00 H new ATOM 0 HG LEU A 7 6.262 -10.234 -12.785 1.00 0.00 H new ATOM 0 HD11 LEU A 7 6.836 -11.165 -14.991 1.00 0.00 H new ATOM 0 HD12 LEU A 7 5.614 -12.152 -14.155 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.126 -11.063 -15.475 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.945 -8.730 -14.615 1.00 0.00 H new ATOM 0 HD22 LEU A 7 5.240 -8.532 -15.083 1.00 0.00 H new ATOM 0 HD23 LEU A 7 5.804 -7.939 -13.502 1.00 0.00 H new ATOM 141 N LYS A 8 5.300 -11.649 -10.551 1.00 0.00 N ATOM 142 CA LYS A 8 6.445 -12.233 -9.864 1.00 0.00 C ATOM 143 C LYS A 8 6.480 -13.746 -10.054 1.00 0.00 C ATOM 144 O LYS A 8 7.446 -14.291 -10.589 1.00 0.00 O ATOM 145 CB LYS A 8 6.395 -11.897 -8.371 1.00 0.00 C ATOM 146 CG LYS A 8 7.083 -12.928 -7.493 1.00 0.00 C ATOM 147 CD LYS A 8 7.309 -12.400 -6.086 1.00 0.00 C ATOM 148 CE LYS A 8 8.469 -13.110 -5.404 1.00 0.00 C ATOM 149 NZ LYS A 8 7.997 -14.121 -4.417 1.00 0.00 N ATOM 0 H LYS A 8 4.816 -10.924 -10.021 1.00 0.00 H new ATOM 0 HA LYS A 8 7.352 -11.809 -10.296 1.00 0.00 H new ATOM 0 HB2 LYS A 8 6.862 -10.925 -8.210 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.354 -11.806 -8.062 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.477 -13.833 -7.450 1.00 0.00 H new ATOM 0 HG3 LYS A 8 8.039 -13.205 -7.937 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.509 -11.329 -6.126 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.402 -12.533 -5.496 1.00 0.00 H new ATOM 0 HE2 LYS A 8 9.089 -13.598 -6.156 1.00 0.00 H new ATOM 0 HE3 LYS A 8 9.098 -12.376 -4.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 8.817 -14.583 -3.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.427 -13.652 -3.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 7.418 -14.836 -4.902 1.00 0.00 H new ATOM 163 N ARG A 9 5.421 -14.418 -9.615 1.00 0.00 N ATOM 164 CA ARG A 9 5.332 -15.868 -9.738 1.00 0.00 C ATOM 165 C ARG A 9 5.642 -16.313 -11.164 1.00 0.00 C ATOM 166 O ARG A 9 6.553 -17.109 -11.393 1.00 0.00 O ATOM 167 CB ARG A 9 3.937 -16.350 -9.334 1.00 0.00 C ATOM 168 CG ARG A 9 3.470 -15.807 -7.993 1.00 0.00 C ATOM 169 CD ARG A 9 2.160 -16.447 -7.559 1.00 0.00 C ATOM 170 NE ARG A 9 2.331 -17.853 -7.201 1.00 0.00 N ATOM 171 CZ ARG A 9 1.389 -18.580 -6.611 1.00 0.00 C ATOM 172 NH1 ARG A 9 0.216 -18.038 -6.315 1.00 0.00 N ATOM 173 NH2 ARG A 9 1.619 -19.854 -6.317 1.00 0.00 N ATOM 0 H ARG A 9 4.613 -13.982 -9.171 1.00 0.00 H new ATOM 0 HA ARG A 9 6.070 -16.310 -9.069 1.00 0.00 H new ATOM 0 HB2 ARG A 9 3.223 -16.057 -10.104 1.00 0.00 H new ATOM 0 HB3 ARG A 9 3.935 -17.439 -9.296 1.00 0.00 H new ATOM 0 HG2 ARG A 9 4.234 -15.992 -7.238 1.00 0.00 H new ATOM 0 HG3 ARG A 9 3.344 -14.726 -8.061 1.00 0.00 H new ATOM 0 HD2 ARG A 9 1.755 -15.902 -6.706 1.00 0.00 H new ATOM 0 HD3 ARG A 9 1.431 -16.364 -8.365 1.00 0.00 H new ATOM 0 HE ARG A 9 3.222 -18.301 -7.416 1.00 0.00 H new ATOM 0 HH11 ARG A 9 0.035 -17.060 -6.540 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -0.505 -18.599 -5.862 1.00 0.00 H new ATOM 0 HH21 ARG A 9 2.520 -20.275 -6.544 1.00 0.00 H new ATOM 0 HH22 ARG A 9 0.895 -20.412 -5.864 1.00 0.00 H new ATOM 187 N PHE A 10 4.878 -15.794 -12.120 1.00 0.00 N ATOM 188 CA PHE A 10 5.069 -16.139 -13.524 1.00 0.00 C ATOM 189 C PHE A 10 6.532 -15.979 -13.928 1.00 0.00 C ATOM 190 O PHE A 10 7.124 -16.877 -14.529 1.00 0.00 O ATOM 191 CB PHE A 10 4.185 -15.262 -14.412 1.00 0.00 C ATOM 192 CG PHE A 10 4.562 -15.307 -15.865 1.00 0.00 C ATOM 193 CD1 PHE A 10 4.767 -16.519 -16.504 1.00 0.00 C ATOM 194 CD2 PHE A 10 4.711 -14.137 -16.592 1.00 0.00 C ATOM 195 CE1 PHE A 10 5.115 -16.563 -17.840 1.00 0.00 C ATOM 196 CE2 PHE A 10 5.058 -14.175 -17.930 1.00 0.00 C ATOM 197 CZ PHE A 10 5.259 -15.390 -18.555 1.00 0.00 C ATOM 0 H PHE A 10 4.121 -15.133 -11.948 1.00 0.00 H new ATOM 0 HA PHE A 10 4.784 -17.183 -13.658 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.148 -15.579 -14.304 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.241 -14.231 -14.062 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.653 -17.440 -15.951 1.00 0.00 H new ATOM 0 HD2 PHE A 10 4.554 -13.184 -16.108 1.00 0.00 H new ATOM 0 HE1 PHE A 10 5.274 -17.514 -18.325 1.00 0.00 H new ATOM 0 HE2 PHE A 10 5.172 -13.256 -18.485 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.528 -15.423 -19.600 1.00 0.00 H new ATOM 207 N LEU A 11 7.110 -14.831 -13.594 1.00 0.00 N ATOM 208 CA LEU A 11 8.504 -14.552 -13.921 1.00 0.00 C ATOM 209 C LEU A 11 9.428 -15.599 -13.309 1.00 0.00 C ATOM 210 O LEU A 11 10.275 -16.173 -13.993 1.00 0.00 O ATOM 211 CB LEU A 11 8.895 -13.158 -13.427 1.00 0.00 C ATOM 212 CG LEU A 11 9.637 -12.274 -14.430 1.00 0.00 C ATOM 213 CD1 LEU A 11 11.011 -12.850 -14.735 1.00 0.00 C ATOM 214 CD2 LEU A 11 8.825 -12.120 -15.708 1.00 0.00 C ATOM 0 H LEU A 11 6.635 -14.078 -13.097 1.00 0.00 H new ATOM 0 HA LEU A 11 8.611 -14.590 -15.005 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.989 -12.638 -13.115 1.00 0.00 H new ATOM 0 HB3 LEU A 11 9.519 -13.270 -12.541 1.00 0.00 H new ATOM 0 HG LEU A 11 9.770 -11.287 -13.987 1.00 0.00 H new ATOM 0 HD11 LEU A 11 11.524 -12.208 -15.451 1.00 0.00 H new ATOM 0 HD12 LEU A 11 11.594 -12.907 -13.816 1.00 0.00 H new ATOM 0 HD13 LEU A 11 10.901 -13.849 -15.158 1.00 0.00 H new ATOM 0 HD21 LEU A 11 9.368 -11.488 -16.410 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.660 -13.100 -16.155 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.864 -11.661 -15.475 1.00 0.00 H new ATOM 226 N THR A 12 9.257 -15.846 -12.013 1.00 0.00 N ATOM 227 CA THR A 12 10.074 -16.826 -11.308 1.00 0.00 C ATOM 228 C THR A 12 10.094 -18.159 -12.046 1.00 0.00 C ATOM 229 O THR A 12 11.148 -18.627 -12.477 1.00 0.00 O ATOM 230 CB THR A 12 9.564 -17.054 -9.873 1.00 0.00 C ATOM 231 OG1 THR A 12 9.364 -15.796 -9.218 1.00 0.00 O ATOM 232 CG2 THR A 12 10.548 -17.895 -9.075 1.00 0.00 C ATOM 0 H THR A 12 8.560 -15.381 -11.431 1.00 0.00 H new ATOM 0 HA THR A 12 11.086 -16.422 -11.266 1.00 0.00 H new ATOM 0 HB THR A 12 8.616 -17.589 -9.930 1.00 0.00 H new ATOM 0 HG1 THR A 12 10.134 -15.214 -9.385 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.165 -18.042 -8.065 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.676 -18.863 -9.559 1.00 0.00 H new ATOM 0 HG23 THR A 12 11.509 -17.383 -9.028 1.00 0.00 H new ATOM 240 N THR A 13 8.921 -18.769 -12.190 1.00 0.00 N ATOM 241 CA THR A 13 8.803 -20.049 -12.875 1.00 0.00 C ATOM 242 C THR A 13 9.253 -19.938 -14.328 1.00 0.00 C ATOM 243 O THR A 13 9.821 -20.878 -14.886 1.00 0.00 O ATOM 244 CB THR A 13 7.357 -20.577 -12.836 1.00 0.00 C ATOM 245 OG1 THR A 13 7.267 -21.814 -13.553 1.00 0.00 O ATOM 246 CG2 THR A 13 6.395 -19.564 -13.440 1.00 0.00 C ATOM 0 H THR A 13 8.039 -18.396 -11.840 1.00 0.00 H new ATOM 0 HA THR A 13 9.451 -20.750 -12.349 1.00 0.00 H new ATOM 0 HB THR A 13 7.081 -20.741 -11.794 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.345 -22.144 -13.522 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.380 -19.959 -13.402 1.00 0.00 H new ATOM 0 HG22 THR A 13 6.444 -18.633 -12.875 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.671 -19.373 -14.477 1.00 0.00 H new ATOM 254 N LEU A 14 8.996 -18.785 -14.935 1.00 0.00 N ATOM 255 CA LEU A 14 9.375 -18.551 -16.324 1.00 0.00 C ATOM 256 C LEU A 14 10.886 -18.664 -16.503 1.00 0.00 C ATOM 257 O LEU A 14 11.363 -19.300 -17.442 1.00 0.00 O ATOM 258 CB LEU A 14 8.899 -17.170 -16.778 1.00 0.00 C ATOM 259 CG LEU A 14 9.465 -16.667 -18.106 1.00 0.00 C ATOM 260 CD1 LEU A 14 8.371 -16.023 -18.943 1.00 0.00 C ATOM 261 CD2 LEU A 14 10.601 -15.684 -17.864 1.00 0.00 C ATOM 0 H LEU A 14 8.527 -17.998 -14.487 1.00 0.00 H new ATOM 0 HA LEU A 14 8.896 -19.314 -16.938 1.00 0.00 H new ATOM 0 HB2 LEU A 14 7.812 -17.190 -16.854 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.152 -16.448 -16.002 1.00 0.00 H new ATOM 0 HG LEU A 14 9.861 -17.521 -18.656 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.793 -15.671 -19.884 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.590 -16.755 -19.147 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.945 -15.180 -18.399 1.00 0.00 H new ATOM 0 HD21 LEU A 14 10.992 -15.337 -18.821 1.00 0.00 H new ATOM 0 HD22 LEU A 14 10.230 -14.833 -17.293 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.396 -16.177 -17.305 1.00 0.00 H new ATOM 273 N GLN A 15 11.632 -18.044 -15.593 1.00 0.00 N ATOM 274 CA GLN A 15 13.089 -18.077 -15.650 1.00 0.00 C ATOM 275 C GLN A 15 13.623 -19.411 -15.139 1.00 0.00 C ATOM 276 O GLN A 15 14.686 -19.867 -15.561 1.00 0.00 O ATOM 277 CB GLN A 15 13.678 -16.930 -14.828 1.00 0.00 C ATOM 278 CG GLN A 15 13.377 -17.029 -13.342 1.00 0.00 C ATOM 279 CD GLN A 15 14.219 -16.081 -12.511 1.00 0.00 C ATOM 280 OE1 GLN A 15 15.320 -16.425 -12.081 1.00 0.00 O ATOM 281 NE2 GLN A 15 13.704 -14.879 -12.280 1.00 0.00 N ATOM 0 H GLN A 15 11.252 -17.514 -14.809 1.00 0.00 H new ATOM 0 HA GLN A 15 13.390 -17.961 -16.691 1.00 0.00 H new ATOM 0 HB2 GLN A 15 14.758 -16.909 -14.971 1.00 0.00 H new ATOM 0 HB3 GLN A 15 13.288 -15.985 -15.207 1.00 0.00 H new ATOM 0 HG2 GLN A 15 12.322 -16.814 -13.174 1.00 0.00 H new ATOM 0 HG3 GLN A 15 13.551 -18.052 -13.007 1.00 0.00 H new ATOM 0 HE21 GLN A 15 12.787 -14.636 -12.656 1.00 0.00 H new ATOM 0 HE22 GLN A 15 14.225 -14.199 -11.727 1.00 0.00 H new ATOM 290 N GLN A 16 12.879 -20.032 -14.229 1.00 0.00 N ATOM 291 CA GLN A 16 13.280 -21.313 -13.661 1.00 0.00 C ATOM 292 C GLN A 16 13.157 -22.429 -14.693 1.00 0.00 C ATOM 293 O GLN A 16 14.070 -23.239 -14.858 1.00 0.00 O ATOM 294 CB GLN A 16 12.426 -21.641 -12.434 1.00 0.00 C ATOM 295 CG GLN A 16 12.699 -20.735 -11.244 1.00 0.00 C ATOM 296 CD GLN A 16 13.874 -21.207 -10.409 1.00 0.00 C ATOM 297 OE1 GLN A 16 14.790 -20.438 -10.116 1.00 0.00 O ATOM 298 NE2 GLN A 16 13.853 -22.477 -10.022 1.00 0.00 N ATOM 0 H GLN A 16 11.996 -19.669 -13.870 1.00 0.00 H new ATOM 0 HA GLN A 16 14.324 -21.236 -13.358 1.00 0.00 H new ATOM 0 HB2 GLN A 16 11.373 -21.565 -12.704 1.00 0.00 H new ATOM 0 HB3 GLN A 16 12.607 -22.675 -12.142 1.00 0.00 H new ATOM 0 HG2 GLN A 16 12.894 -19.723 -11.600 1.00 0.00 H new ATOM 0 HG3 GLN A 16 11.809 -20.687 -10.617 1.00 0.00 H new ATOM 0 HE21 GLN A 16 13.073 -23.078 -10.288 1.00 0.00 H new ATOM 0 HE22 GLN A 16 14.617 -22.851 -9.459 1.00 0.00 H new ATOM 307 N PHE A 17 12.023 -22.466 -15.385 1.00 0.00 N ATOM 308 CA PHE A 17 11.780 -23.484 -16.401 1.00 0.00 C ATOM 309 C PHE A 17 12.357 -23.057 -17.747 1.00 0.00 C ATOM 310 O PHE A 17 12.467 -23.862 -18.671 1.00 0.00 O ATOM 311 CB PHE A 17 10.280 -23.751 -16.537 1.00 0.00 C ATOM 312 CG PHE A 17 9.868 -25.115 -16.063 1.00 0.00 C ATOM 313 CD1 PHE A 17 10.248 -25.573 -14.812 1.00 0.00 C ATOM 314 CD2 PHE A 17 9.101 -25.940 -16.870 1.00 0.00 C ATOM 315 CE1 PHE A 17 9.871 -26.828 -14.374 1.00 0.00 C ATOM 316 CE2 PHE A 17 8.720 -27.196 -16.436 1.00 0.00 C ATOM 317 CZ PHE A 17 9.106 -27.641 -15.187 1.00 0.00 C ATOM 0 H PHE A 17 11.258 -21.803 -15.261 1.00 0.00 H new ATOM 0 HA PHE A 17 12.278 -24.402 -16.087 1.00 0.00 H new ATOM 0 HB2 PHE A 17 9.732 -22.998 -15.971 1.00 0.00 H new ATOM 0 HB3 PHE A 17 9.992 -23.636 -17.582 1.00 0.00 H new ATOM 0 HD1 PHE A 17 10.846 -24.942 -14.172 1.00 0.00 H new ATOM 0 HD2 PHE A 17 8.798 -25.598 -17.848 1.00 0.00 H new ATOM 0 HE1 PHE A 17 10.174 -27.173 -13.397 1.00 0.00 H new ATOM 0 HE2 PHE A 17 8.121 -27.829 -17.074 1.00 0.00 H new ATOM 0 HZ PHE A 17 8.810 -28.622 -14.847 1.00 0.00 H new ATOM 327 N GLY A 18 12.722 -21.783 -17.851 1.00 0.00 N ATOM 328 CA GLY A 18 13.282 -21.270 -19.088 1.00 0.00 C ATOM 329 C GLY A 18 14.435 -22.112 -19.595 1.00 0.00 C ATOM 330 O GLY A 18 14.616 -22.266 -20.803 1.00 0.00 O ATOM 0 H GLY A 18 12.640 -21.097 -17.101 1.00 0.00 H new ATOM 0 HA2 GLY A 18 12.502 -21.232 -19.848 1.00 0.00 H new ATOM 0 HA3 GLY A 18 13.624 -20.247 -18.932 1.00 0.00 H new ATOM 334 N ASN A 19 15.219 -22.659 -18.671 1.00 0.00 N ATOM 335 CA ASN A 19 16.362 -23.489 -19.033 1.00 0.00 C ATOM 336 C ASN A 19 15.904 -24.829 -19.601 1.00 0.00 C ATOM 337 O ASN A 19 16.601 -25.443 -20.408 1.00 0.00 O ATOM 338 CB ASN A 19 17.257 -23.719 -17.813 1.00 0.00 C ATOM 339 CG ASN A 19 16.992 -25.054 -17.145 1.00 0.00 C ATOM 340 OD1 ASN A 19 16.025 -25.206 -16.399 1.00 0.00 O ATOM 341 ND2 ASN A 19 17.854 -26.029 -17.410 1.00 0.00 N ATOM 0 H ASN A 19 15.084 -22.542 -17.667 1.00 0.00 H new ATOM 0 HA ASN A 19 16.931 -22.965 -19.801 1.00 0.00 H new ATOM 0 HB2 ASN A 19 18.302 -23.670 -18.118 1.00 0.00 H new ATOM 0 HB3 ASN A 19 17.097 -22.917 -17.092 1.00 0.00 H new ATOM 0 HD21 ASN A 19 17.728 -26.949 -16.989 1.00 0.00 H new ATOM 0 HD22 ASN A 19 18.642 -25.857 -18.035 1.00 0.00 H new ATOM 348 N ASP A 20 14.728 -25.276 -19.173 1.00 0.00 N ATOM 349 CA ASP A 20 14.175 -26.542 -19.640 1.00 0.00 C ATOM 350 C ASP A 20 13.539 -26.382 -21.017 1.00 0.00 C ATOM 351 O ASP A 20 13.678 -27.249 -21.880 1.00 0.00 O ATOM 352 CB ASP A 20 13.141 -27.069 -18.644 1.00 0.00 C ATOM 353 CG ASP A 20 12.261 -28.150 -19.241 1.00 0.00 C ATOM 354 OD1 ASP A 20 12.747 -29.289 -19.401 1.00 0.00 O ATOM 355 OD2 ASP A 20 11.087 -27.856 -19.550 1.00 0.00 O ATOM 0 H ASP A 20 14.139 -24.780 -18.503 1.00 0.00 H new ATOM 0 HA ASP A 20 14.991 -27.260 -19.718 1.00 0.00 H new ATOM 0 HB2 ASP A 20 13.654 -27.465 -17.767 1.00 0.00 H new ATOM 0 HB3 ASP A 20 12.516 -26.244 -18.302 1.00 0.00 H new ATOM 360 N ILE A 21 12.839 -25.270 -21.214 1.00 0.00 N ATOM 361 CA ILE A 21 12.182 -24.997 -22.486 1.00 0.00 C ATOM 362 C ILE A 21 13.153 -25.149 -23.651 1.00 0.00 C ATOM 363 O ILE A 21 12.837 -25.784 -24.658 1.00 0.00 O ATOM 364 CB ILE A 21 11.579 -23.580 -22.516 1.00 0.00 C ATOM 365 CG1 ILE A 21 10.516 -23.431 -21.426 1.00 0.00 C ATOM 366 CG2 ILE A 21 10.987 -23.285 -23.886 1.00 0.00 C ATOM 367 CD1 ILE A 21 9.874 -22.062 -21.392 1.00 0.00 C ATOM 0 H ILE A 21 12.712 -24.544 -20.509 1.00 0.00 H new ATOM 0 HA ILE A 21 11.379 -25.727 -22.589 1.00 0.00 H new ATOM 0 HB ILE A 21 12.373 -22.859 -22.323 1.00 0.00 H new ATOM 0 HG12 ILE A 21 9.742 -24.183 -21.579 1.00 0.00 H new ATOM 0 HG13 ILE A 21 10.970 -23.635 -20.456 1.00 0.00 H new ATOM 0 HG21 ILE A 21 10.565 -22.280 -23.891 1.00 0.00 H new ATOM 0 HG22 ILE A 21 11.769 -23.354 -24.643 1.00 0.00 H new ATOM 0 HG23 ILE A 21 10.203 -24.009 -24.107 1.00 0.00 H new ATOM 0 HD11 ILE A 21 9.131 -22.028 -20.595 1.00 0.00 H new ATOM 0 HD12 ILE A 21 10.638 -21.306 -21.208 1.00 0.00 H new ATOM 0 HD13 ILE A 21 9.390 -21.863 -22.348 1.00 0.00 H new ATOM 379 N SER A 22 14.338 -24.564 -23.507 1.00 0.00 N ATOM 380 CA SER A 22 15.357 -24.633 -24.548 1.00 0.00 C ATOM 381 C SER A 22 16.636 -23.930 -24.105 1.00 0.00 C ATOM 382 O SER A 22 16.644 -23.139 -23.161 1.00 0.00 O ATOM 383 CB SER A 22 14.837 -24.003 -25.842 1.00 0.00 C ATOM 384 OG SER A 22 13.836 -23.036 -25.572 1.00 0.00 O ATOM 0 H SER A 22 14.616 -24.037 -22.679 1.00 0.00 H new ATOM 0 HA SER A 22 15.585 -25.683 -24.729 1.00 0.00 H new ATOM 0 HB2 SER A 22 15.662 -23.536 -26.380 1.00 0.00 H new ATOM 0 HB3 SER A 22 14.432 -24.779 -26.491 1.00 0.00 H new ATOM 0 HG SER A 22 13.521 -22.647 -26.415 1.00 0.00 H new ATOM 390 N PRO A 23 17.744 -24.224 -24.801 1.00 0.00 N ATOM 391 CA PRO A 23 19.050 -23.630 -24.498 1.00 0.00 C ATOM 392 C PRO A 23 19.107 -22.147 -24.845 1.00 0.00 C ATOM 393 O PRO A 23 19.488 -21.321 -24.017 1.00 0.00 O ATOM 394 CB PRO A 23 20.014 -24.424 -25.384 1.00 0.00 C ATOM 395 CG PRO A 23 19.175 -24.913 -26.513 1.00 0.00 C ATOM 396 CD PRO A 23 17.807 -25.157 -25.938 1.00 0.00 C ATOM 0 HA PRO A 23 19.285 -23.682 -23.435 1.00 0.00 H new ATOM 0 HB2 PRO A 23 20.831 -23.797 -25.741 1.00 0.00 H new ATOM 0 HB3 PRO A 23 20.463 -25.253 -24.837 1.00 0.00 H new ATOM 0 HG2 PRO A 23 19.135 -24.177 -27.316 1.00 0.00 H new ATOM 0 HG3 PRO A 23 19.588 -25.828 -26.938 1.00 0.00 H new ATOM 0 HD2 PRO A 23 17.023 -24.955 -26.667 1.00 0.00 H new ATOM 0 HD3 PRO A 23 17.685 -26.191 -25.616 1.00 0.00 H new ATOM 404 N GLU A 24 18.725 -21.816 -26.075 1.00 0.00 N ATOM 405 CA GLU A 24 18.734 -20.431 -26.531 1.00 0.00 C ATOM 406 C GLU A 24 17.778 -19.579 -25.700 1.00 0.00 C ATOM 407 O GLU A 24 18.181 -18.580 -25.102 1.00 0.00 O ATOM 408 CB GLU A 24 18.349 -20.354 -28.009 1.00 0.00 C ATOM 409 CG GLU A 24 17.127 -21.184 -28.364 1.00 0.00 C ATOM 410 CD GLU A 24 17.320 -21.997 -29.630 1.00 0.00 C ATOM 411 OE1 GLU A 24 17.051 -21.460 -30.725 1.00 0.00 O ATOM 412 OE2 GLU A 24 17.740 -23.168 -29.525 1.00 0.00 O ATOM 0 H GLU A 24 18.406 -22.488 -26.773 1.00 0.00 H new ATOM 0 HA GLU A 24 19.744 -20.041 -26.406 1.00 0.00 H new ATOM 0 HB2 GLU A 24 18.160 -19.313 -28.273 1.00 0.00 H new ATOM 0 HB3 GLU A 24 19.192 -20.688 -28.613 1.00 0.00 H new ATOM 0 HG2 GLU A 24 16.896 -21.856 -27.537 1.00 0.00 H new ATOM 0 HG3 GLU A 24 16.268 -20.524 -28.488 1.00 0.00 H new ATOM 419 N ILE A 25 16.512 -19.980 -25.669 1.00 0.00 N ATOM 420 CA ILE A 25 15.500 -19.255 -24.912 1.00 0.00 C ATOM 421 C ILE A 25 15.846 -19.215 -23.428 1.00 0.00 C ATOM 422 O ILE A 25 15.560 -18.237 -22.739 1.00 0.00 O ATOM 423 CB ILE A 25 14.106 -19.888 -25.085 1.00 0.00 C ATOM 424 CG1 ILE A 25 13.080 -18.818 -25.466 1.00 0.00 C ATOM 425 CG2 ILE A 25 13.687 -20.602 -23.809 1.00 0.00 C ATOM 426 CD1 ILE A 25 13.032 -17.656 -24.499 1.00 0.00 C ATOM 0 H ILE A 25 16.163 -20.803 -26.160 1.00 0.00 H new ATOM 0 HA ILE A 25 15.481 -18.239 -25.306 1.00 0.00 H new ATOM 0 HB ILE A 25 14.153 -20.622 -25.890 1.00 0.00 H new ATOM 0 HG12 ILE A 25 13.312 -18.442 -26.462 1.00 0.00 H new ATOM 0 HG13 ILE A 25 12.092 -19.276 -25.520 1.00 0.00 H new ATOM 0 HG21 ILE A 25 12.700 -21.044 -23.947 1.00 0.00 H new ATOM 0 HG22 ILE A 25 14.407 -21.387 -23.578 1.00 0.00 H new ATOM 0 HG23 ILE A 25 13.653 -19.887 -22.987 1.00 0.00 H new ATOM 0 HD11 ILE A 25 12.283 -16.937 -24.831 1.00 0.00 H new ATOM 0 HD12 ILE A 25 12.770 -18.020 -23.506 1.00 0.00 H new ATOM 0 HD13 ILE A 25 14.008 -17.173 -24.462 1.00 0.00 H new ATOM 438 N GLY A 26 16.467 -20.285 -22.941 1.00 0.00 N ATOM 439 CA GLY A 26 16.845 -20.352 -21.542 1.00 0.00 C ATOM 440 C GLY A 26 17.839 -19.274 -21.158 1.00 0.00 C ATOM 441 O GLY A 26 17.551 -18.430 -20.310 1.00 0.00 O ATOM 0 H GLY A 26 16.715 -21.107 -23.491 1.00 0.00 H new ATOM 0 HA2 GLY A 26 15.953 -20.257 -20.923 1.00 0.00 H new ATOM 0 HA3 GLY A 26 17.276 -21.331 -21.332 1.00 0.00 H new ATOM 445 N GLU A 27 19.012 -19.304 -21.782 1.00 0.00 N ATOM 446 CA GLU A 27 20.053 -18.322 -21.498 1.00 0.00 C ATOM 447 C GLU A 27 19.511 -16.902 -21.626 1.00 0.00 C ATOM 448 O GLU A 27 19.843 -16.025 -20.828 1.00 0.00 O ATOM 449 CB GLU A 27 21.239 -18.515 -22.445 1.00 0.00 C ATOM 450 CG GLU A 27 20.870 -18.396 -23.915 1.00 0.00 C ATOM 451 CD GLU A 27 22.061 -18.589 -24.833 1.00 0.00 C ATOM 452 OE1 GLU A 27 22.945 -17.707 -24.852 1.00 0.00 O ATOM 453 OE2 GLU A 27 22.108 -19.622 -25.532 1.00 0.00 O ATOM 0 H GLU A 27 19.266 -19.996 -22.487 1.00 0.00 H new ATOM 0 HA GLU A 27 20.389 -18.473 -20.472 1.00 0.00 H new ATOM 0 HB2 GLU A 27 22.005 -17.776 -22.210 1.00 0.00 H new ATOM 0 HB3 GLU A 27 21.679 -19.496 -22.268 1.00 0.00 H new ATOM 0 HG2 GLU A 27 20.107 -19.137 -24.155 1.00 0.00 H new ATOM 0 HG3 GLU A 27 20.431 -17.415 -24.097 1.00 0.00 H new ATOM 460 N ARG A 28 18.675 -16.683 -22.636 1.00 0.00 N ATOM 461 CA ARG A 28 18.088 -15.369 -22.871 1.00 0.00 C ATOM 462 C ARG A 28 17.169 -14.971 -21.719 1.00 0.00 C ATOM 463 O ARG A 28 17.382 -13.950 -21.065 1.00 0.00 O ATOM 464 CB ARG A 28 17.307 -15.364 -24.186 1.00 0.00 C ATOM 465 CG ARG A 28 17.473 -14.083 -24.988 1.00 0.00 C ATOM 466 CD ARG A 28 18.671 -14.163 -25.921 1.00 0.00 C ATOM 467 NE ARG A 28 19.608 -13.064 -25.704 1.00 0.00 N ATOM 468 CZ ARG A 28 20.652 -12.821 -26.490 1.00 0.00 C ATOM 469 NH1 ARG A 28 20.889 -13.596 -27.539 1.00 0.00 N ATOM 470 NH2 ARG A 28 21.459 -11.802 -26.227 1.00 0.00 N ATOM 0 H ARG A 28 18.389 -17.398 -23.304 1.00 0.00 H new ATOM 0 HA ARG A 28 18.898 -14.642 -22.935 1.00 0.00 H new ATOM 0 HB2 ARG A 28 17.631 -16.208 -24.795 1.00 0.00 H new ATOM 0 HB3 ARG A 28 16.249 -15.514 -23.971 1.00 0.00 H new ATOM 0 HG2 ARG A 28 16.570 -13.896 -25.569 1.00 0.00 H new ATOM 0 HG3 ARG A 28 17.595 -13.240 -24.308 1.00 0.00 H new ATOM 0 HD2 ARG A 28 19.185 -15.112 -25.771 1.00 0.00 H new ATOM 0 HD3 ARG A 28 18.327 -14.147 -26.955 1.00 0.00 H new ATOM 0 HE ARG A 28 19.453 -12.449 -24.905 1.00 0.00 H new ATOM 0 HH11 ARG A 28 20.270 -14.380 -27.744 1.00 0.00 H new ATOM 0 HH12 ARG A 28 21.691 -13.408 -28.141 1.00 0.00 H new ATOM 0 HH21 ARG A 28 21.279 -11.204 -25.421 1.00 0.00 H new ATOM 0 HH22 ARG A 28 22.260 -11.617 -26.831 1.00 0.00 H new ATOM 484 N VAL A 29 16.145 -15.784 -21.478 1.00 0.00 N ATOM 485 CA VAL A 29 15.194 -15.517 -20.406 1.00 0.00 C ATOM 486 C VAL A 29 15.910 -15.104 -19.125 1.00 0.00 C ATOM 487 O VAL A 29 15.661 -14.028 -18.581 1.00 0.00 O ATOM 488 CB VAL A 29 14.316 -16.749 -20.115 1.00 0.00 C ATOM 489 CG1 VAL A 29 13.513 -16.543 -18.839 1.00 0.00 C ATOM 490 CG2 VAL A 29 13.397 -17.038 -21.292 1.00 0.00 C ATOM 0 H VAL A 29 15.953 -16.632 -22.011 1.00 0.00 H new ATOM 0 HA VAL A 29 14.559 -14.698 -20.744 1.00 0.00 H new ATOM 0 HB VAL A 29 14.967 -17.612 -19.971 1.00 0.00 H new ATOM 0 HG11 VAL A 29 12.899 -17.423 -18.650 1.00 0.00 H new ATOM 0 HG12 VAL A 29 14.194 -16.388 -18.002 1.00 0.00 H new ATOM 0 HG13 VAL A 29 12.871 -15.670 -18.950 1.00 0.00 H new ATOM 0 HG21 VAL A 29 12.784 -17.911 -21.069 1.00 0.00 H new ATOM 0 HG22 VAL A 29 12.752 -16.178 -21.470 1.00 0.00 H new ATOM 0 HG23 VAL A 29 13.996 -17.232 -22.182 1.00 0.00 H new ATOM 500 N ARG A 30 16.803 -15.965 -18.649 1.00 0.00 N ATOM 501 CA ARG A 30 17.556 -15.690 -17.431 1.00 0.00 C ATOM 502 C ARG A 30 18.405 -14.432 -17.589 1.00 0.00 C ATOM 503 O ARG A 30 18.458 -13.588 -16.694 1.00 0.00 O ATOM 504 CB ARG A 30 18.450 -16.881 -17.079 1.00 0.00 C ATOM 505 CG ARG A 30 19.451 -17.234 -18.168 1.00 0.00 C ATOM 506 CD ARG A 30 19.992 -18.644 -17.990 1.00 0.00 C ATOM 507 NE ARG A 30 21.422 -18.721 -18.277 1.00 0.00 N ATOM 508 CZ ARG A 30 22.129 -19.843 -18.193 1.00 0.00 C ATOM 509 NH1 ARG A 30 21.541 -20.976 -17.833 1.00 0.00 N ATOM 510 NH2 ARG A 30 23.426 -19.833 -18.470 1.00 0.00 N ATOM 0 H ARG A 30 17.023 -16.859 -19.088 1.00 0.00 H new ATOM 0 HA ARG A 30 16.844 -15.527 -16.622 1.00 0.00 H new ATOM 0 HB2 ARG A 30 18.990 -16.659 -16.159 1.00 0.00 H new ATOM 0 HB3 ARG A 30 17.822 -17.749 -16.879 1.00 0.00 H new ATOM 0 HG2 ARG A 30 18.974 -17.146 -19.144 1.00 0.00 H new ATOM 0 HG3 ARG A 30 20.276 -16.522 -18.151 1.00 0.00 H new ATOM 0 HD2 ARG A 30 19.809 -18.976 -16.968 1.00 0.00 H new ATOM 0 HD3 ARG A 30 19.453 -19.325 -18.648 1.00 0.00 H new ATOM 0 HE ARG A 30 21.904 -17.867 -18.557 1.00 0.00 H new ATOM 0 HH11 ARG A 30 20.544 -20.988 -17.620 1.00 0.00 H new ATOM 0 HH12 ARG A 30 22.086 -21.836 -17.769 1.00 0.00 H new ATOM 0 HH21 ARG A 30 23.881 -18.964 -18.748 1.00 0.00 H new ATOM 0 HH22 ARG A 30 23.968 -20.695 -18.405 1.00 0.00 H new ATOM 524 N THR A 31 19.070 -14.313 -18.735 1.00 0.00 N ATOM 525 CA THR A 31 19.918 -13.160 -19.010 1.00 0.00 C ATOM 526 C THR A 31 19.147 -11.857 -18.835 1.00 0.00 C ATOM 527 O THR A 31 19.527 -11.002 -18.033 1.00 0.00 O ATOM 528 CB THR A 31 20.493 -13.215 -20.438 1.00 0.00 C ATOM 529 OG1 THR A 31 21.537 -14.192 -20.508 1.00 0.00 O ATOM 530 CG2 THR A 31 21.035 -11.856 -20.855 1.00 0.00 C ATOM 0 H THR A 31 19.037 -15.001 -19.487 1.00 0.00 H new ATOM 0 HA THR A 31 20.739 -13.192 -18.294 1.00 0.00 H new ATOM 0 HB THR A 31 19.689 -13.493 -21.120 1.00 0.00 H new ATOM 0 HG1 THR A 31 21.177 -15.073 -20.272 1.00 0.00 H new ATOM 0 HG21 THR A 31 21.436 -11.919 -21.867 1.00 0.00 H new ATOM 0 HG22 THR A 31 20.231 -11.120 -20.828 1.00 0.00 H new ATOM 0 HG23 THR A 31 21.827 -11.554 -20.169 1.00 0.00 H new ATOM 538 N LEU A 32 18.062 -11.710 -19.587 1.00 0.00 N ATOM 539 CA LEU A 32 17.237 -10.510 -19.514 1.00 0.00 C ATOM 540 C LEU A 32 16.649 -10.338 -18.117 1.00 0.00 C ATOM 541 O LEU A 32 16.856 -9.313 -17.467 1.00 0.00 O ATOM 542 CB LEU A 32 16.112 -10.577 -20.549 1.00 0.00 C ATOM 543 CG LEU A 32 16.491 -11.145 -21.916 1.00 0.00 C ATOM 544 CD1 LEU A 32 15.341 -10.984 -22.899 1.00 0.00 C ATOM 545 CD2 LEU A 32 17.747 -10.468 -22.446 1.00 0.00 C ATOM 0 H LEU A 32 17.733 -12.407 -20.255 1.00 0.00 H new ATOM 0 HA LEU A 32 17.870 -9.650 -19.730 1.00 0.00 H new ATOM 0 HB2 LEU A 32 15.303 -11.181 -20.138 1.00 0.00 H new ATOM 0 HB3 LEU A 32 15.717 -9.571 -20.693 1.00 0.00 H new ATOM 0 HG LEU A 32 16.697 -12.209 -21.801 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.629 -11.394 -23.867 1.00 0.00 H new ATOM 0 HD12 LEU A 32 14.466 -11.516 -22.526 1.00 0.00 H new ATOM 0 HD13 LEU A 32 15.102 -9.926 -23.010 1.00 0.00 H new ATOM 0 HD21 LEU A 32 18.002 -10.885 -23.420 1.00 0.00 H new ATOM 0 HD22 LEU A 32 17.569 -9.397 -22.545 1.00 0.00 H new ATOM 0 HD23 LEU A 32 18.571 -10.636 -21.753 1.00 0.00 H new ATOM 557 N VAL A 33 15.916 -11.348 -17.660 1.00 0.00 N ATOM 558 CA VAL A 33 15.301 -11.310 -16.339 1.00 0.00 C ATOM 559 C VAL A 33 16.316 -10.918 -15.271 1.00 0.00 C ATOM 560 O VAL A 33 16.267 -9.814 -14.728 1.00 0.00 O ATOM 561 CB VAL A 33 14.682 -12.672 -15.969 1.00 0.00 C ATOM 562 CG1 VAL A 33 14.223 -12.673 -14.519 1.00 0.00 C ATOM 563 CG2 VAL A 33 13.528 -13.004 -16.902 1.00 0.00 C ATOM 0 H VAL A 33 15.734 -12.203 -18.185 1.00 0.00 H new ATOM 0 HA VAL A 33 14.512 -10.559 -16.378 1.00 0.00 H new ATOM 0 HB VAL A 33 15.445 -13.442 -16.084 1.00 0.00 H new ATOM 0 HG11 VAL A 33 13.789 -13.643 -14.276 1.00 0.00 H new ATOM 0 HG12 VAL A 33 15.076 -12.484 -13.867 1.00 0.00 H new ATOM 0 HG13 VAL A 33 13.475 -11.894 -14.374 1.00 0.00 H new ATOM 0 HG21 VAL A 33 13.103 -13.969 -16.626 1.00 0.00 H new ATOM 0 HG22 VAL A 33 12.761 -12.233 -16.821 1.00 0.00 H new ATOM 0 HG23 VAL A 33 13.891 -13.048 -17.929 1.00 0.00 H new ATOM 573 N LEU A 34 17.236 -11.829 -14.974 1.00 0.00 N ATOM 574 CA LEU A 34 18.265 -11.579 -13.971 1.00 0.00 C ATOM 575 C LEU A 34 19.005 -10.278 -14.263 1.00 0.00 C ATOM 576 O LEU A 34 19.390 -9.552 -13.348 1.00 0.00 O ATOM 577 CB LEU A 34 19.255 -12.744 -13.926 1.00 0.00 C ATOM 578 CG LEU A 34 18.644 -14.140 -13.801 1.00 0.00 C ATOM 579 CD1 LEU A 34 19.721 -15.207 -13.915 1.00 0.00 C ATOM 580 CD2 LEU A 34 17.892 -14.277 -12.485 1.00 0.00 C ATOM 0 H LEU A 34 17.290 -12.748 -15.414 1.00 0.00 H new ATOM 0 HA LEU A 34 17.777 -11.488 -13.000 1.00 0.00 H new ATOM 0 HB2 LEU A 34 19.861 -12.714 -14.831 1.00 0.00 H new ATOM 0 HB3 LEU A 34 19.930 -12.588 -13.085 1.00 0.00 H new ATOM 0 HG LEU A 34 17.936 -14.280 -14.618 1.00 0.00 H new ATOM 0 HD11 LEU A 34 19.267 -16.194 -13.824 1.00 0.00 H new ATOM 0 HD12 LEU A 34 20.215 -15.123 -14.883 1.00 0.00 H new ATOM 0 HD13 LEU A 34 20.454 -15.070 -13.120 1.00 0.00 H new ATOM 0 HD21 LEU A 34 17.464 -15.277 -12.413 1.00 0.00 H new ATOM 0 HD22 LEU A 34 18.580 -14.116 -11.655 1.00 0.00 H new ATOM 0 HD23 LEU A 34 17.093 -13.536 -12.443 1.00 0.00 H new ATOM 592 N GLY A 35 19.200 -9.989 -15.547 1.00 0.00 N ATOM 593 CA GLY A 35 19.892 -8.775 -15.937 1.00 0.00 C ATOM 594 C GLY A 35 19.223 -7.527 -15.395 1.00 0.00 C ATOM 595 O GLY A 35 19.774 -6.844 -14.531 1.00 0.00 O ATOM 0 H GLY A 35 18.891 -10.574 -16.323 1.00 0.00 H new ATOM 0 HA2 GLY A 35 20.921 -8.816 -15.580 1.00 0.00 H new ATOM 0 HA3 GLY A 35 19.934 -8.718 -17.025 1.00 0.00 H new ATOM 599 N LEU A 36 18.034 -7.226 -15.904 1.00 0.00 N ATOM 600 CA LEU A 36 17.290 -6.050 -15.467 1.00 0.00 C ATOM 601 C LEU A 36 17.067 -6.076 -13.959 1.00 0.00 C ATOM 602 O LEU A 36 16.858 -5.037 -13.333 1.00 0.00 O ATOM 603 CB LEU A 36 15.944 -5.976 -16.192 1.00 0.00 C ATOM 604 CG LEU A 36 15.022 -7.183 -16.021 1.00 0.00 C ATOM 605 CD1 LEU A 36 14.245 -7.081 -14.717 1.00 0.00 C ATOM 606 CD2 LEU A 36 14.071 -7.300 -17.203 1.00 0.00 C ATOM 0 H LEU A 36 17.564 -7.780 -16.620 1.00 0.00 H new ATOM 0 HA LEU A 36 17.878 -5.166 -15.713 1.00 0.00 H new ATOM 0 HB2 LEU A 36 15.415 -5.088 -15.845 1.00 0.00 H new ATOM 0 HB3 LEU A 36 16.134 -5.838 -17.256 1.00 0.00 H new ATOM 0 HG LEU A 36 15.636 -8.083 -15.985 1.00 0.00 H new ATOM 0 HD11 LEU A 36 13.594 -7.949 -14.613 1.00 0.00 H new ATOM 0 HD12 LEU A 36 14.942 -7.047 -13.880 1.00 0.00 H new ATOM 0 HD13 LEU A 36 13.641 -6.173 -14.723 1.00 0.00 H new ATOM 0 HD21 LEU A 36 13.422 -8.165 -17.064 1.00 0.00 H new ATOM 0 HD22 LEU A 36 13.463 -6.398 -17.272 1.00 0.00 H new ATOM 0 HD23 LEU A 36 14.645 -7.421 -18.121 1.00 0.00 H new ATOM 618 N VAL A 37 17.116 -7.272 -13.379 1.00 0.00 N ATOM 619 CA VAL A 37 16.923 -7.433 -11.943 1.00 0.00 C ATOM 620 C VAL A 37 18.080 -6.822 -11.161 1.00 0.00 C ATOM 621 O VAL A 37 17.885 -5.916 -10.351 1.00 0.00 O ATOM 622 CB VAL A 37 16.786 -8.919 -11.559 1.00 0.00 C ATOM 623 CG1 VAL A 37 17.188 -9.134 -10.107 1.00 0.00 C ATOM 624 CG2 VAL A 37 15.365 -9.403 -11.805 1.00 0.00 C ATOM 0 H VAL A 37 17.288 -8.143 -13.882 1.00 0.00 H new ATOM 0 HA VAL A 37 16.000 -6.912 -11.687 1.00 0.00 H new ATOM 0 HB VAL A 37 17.458 -9.503 -12.187 1.00 0.00 H new ATOM 0 HG11 VAL A 37 17.085 -10.189 -9.853 1.00 0.00 H new ATOM 0 HG12 VAL A 37 18.224 -8.827 -9.967 1.00 0.00 H new ATOM 0 HG13 VAL A 37 16.543 -8.540 -9.459 1.00 0.00 H new ATOM 0 HG21 VAL A 37 15.286 -10.454 -11.529 1.00 0.00 H new ATOM 0 HG22 VAL A 37 14.671 -8.816 -11.203 1.00 0.00 H new ATOM 0 HG23 VAL A 37 15.118 -9.286 -12.860 1.00 0.00 H new ATOM 634 N ASN A 38 19.286 -7.323 -11.409 1.00 0.00 N ATOM 635 CA ASN A 38 20.476 -6.826 -10.728 1.00 0.00 C ATOM 636 C ASN A 38 21.407 -6.118 -11.707 1.00 0.00 C ATOM 637 O ASN A 38 21.884 -5.016 -11.439 1.00 0.00 O ATOM 638 CB ASN A 38 21.216 -7.978 -10.045 1.00 0.00 C ATOM 639 CG ASN A 38 21.557 -9.098 -11.008 1.00 0.00 C ATOM 640 OD1 ASN A 38 22.559 -9.036 -11.720 1.00 0.00 O ATOM 641 ND2 ASN A 38 20.722 -10.131 -11.034 1.00 0.00 N ATOM 0 H ASN A 38 19.465 -8.073 -12.077 1.00 0.00 H new ATOM 0 HA ASN A 38 20.159 -6.108 -9.972 1.00 0.00 H new ATOM 0 HB2 ASN A 38 22.133 -7.600 -9.593 1.00 0.00 H new ATOM 0 HB3 ASN A 38 20.601 -8.373 -9.236 1.00 0.00 H new ATOM 0 HD21 ASN A 38 20.900 -10.915 -11.662 1.00 0.00 H new ATOM 0 HD22 ASN A 38 19.903 -10.140 -10.426 1.00 0.00 H new ATOM 648 N SER A 39 21.661 -6.760 -12.843 1.00 0.00 N ATOM 649 CA SER A 39 22.538 -6.193 -13.862 1.00 0.00 C ATOM 650 C SER A 39 21.913 -4.949 -14.485 1.00 0.00 C ATOM 651 O SER A 39 20.726 -4.677 -14.303 1.00 0.00 O ATOM 652 CB SER A 39 22.829 -7.230 -14.948 1.00 0.00 C ATOM 653 OG SER A 39 24.165 -7.124 -15.409 1.00 0.00 O ATOM 0 H SER A 39 21.272 -7.673 -13.081 1.00 0.00 H new ATOM 0 HA SER A 39 23.474 -5.907 -13.383 1.00 0.00 H new ATOM 0 HB2 SER A 39 22.655 -8.232 -14.555 1.00 0.00 H new ATOM 0 HB3 SER A 39 22.141 -7.091 -15.782 1.00 0.00 H new ATOM 0 HG SER A 39 24.327 -7.799 -16.101 1.00 0.00 H new ATOM 659 N THR A 40 22.722 -4.195 -15.223 1.00 0.00 N ATOM 660 CA THR A 40 22.252 -2.978 -15.873 1.00 0.00 C ATOM 661 C THR A 40 21.441 -3.301 -17.123 1.00 0.00 C ATOM 662 O THR A 40 21.987 -3.387 -18.224 1.00 0.00 O ATOM 663 CB THR A 40 23.425 -2.057 -16.259 1.00 0.00 C ATOM 664 OG1 THR A 40 24.079 -1.578 -15.079 1.00 0.00 O ATOM 665 CG2 THR A 40 22.937 -0.879 -17.089 1.00 0.00 C ATOM 0 H THR A 40 23.707 -4.406 -15.385 1.00 0.00 H new ATOM 0 HA THR A 40 21.616 -2.461 -15.154 1.00 0.00 H new ATOM 0 HB THR A 40 24.131 -2.634 -16.856 1.00 0.00 H new ATOM 0 HG1 THR A 40 24.825 -0.995 -15.332 1.00 0.00 H new ATOM 0 HG21 THR A 40 23.783 -0.243 -17.350 1.00 0.00 H new ATOM 0 HG22 THR A 40 22.465 -1.247 -18.000 1.00 0.00 H new ATOM 0 HG23 THR A 40 22.213 -0.303 -16.513 1.00 0.00 H new ATOM 673 N LEU A 41 20.137 -3.479 -16.947 1.00 0.00 N ATOM 674 CA LEU A 41 19.250 -3.792 -18.062 1.00 0.00 C ATOM 675 C LEU A 41 17.869 -3.179 -17.849 1.00 0.00 C ATOM 676 O LEU A 41 17.314 -3.240 -16.751 1.00 0.00 O ATOM 677 CB LEU A 41 19.127 -5.307 -18.232 1.00 0.00 C ATOM 678 CG LEU A 41 19.998 -5.933 -19.322 1.00 0.00 C ATOM 679 CD1 LEU A 41 21.160 -6.695 -18.705 1.00 0.00 C ATOM 680 CD2 LEU A 41 19.167 -6.849 -20.209 1.00 0.00 C ATOM 0 H LEU A 41 19.670 -3.412 -16.043 1.00 0.00 H new ATOM 0 HA LEU A 41 19.681 -3.365 -18.967 1.00 0.00 H new ATOM 0 HB2 LEU A 41 19.373 -5.780 -17.282 1.00 0.00 H new ATOM 0 HB3 LEU A 41 18.085 -5.545 -18.446 1.00 0.00 H new ATOM 0 HG LEU A 41 20.403 -5.132 -19.940 1.00 0.00 H new ATOM 0 HD11 LEU A 41 21.769 -7.133 -19.496 1.00 0.00 H new ATOM 0 HD12 LEU A 41 21.770 -6.012 -18.114 1.00 0.00 H new ATOM 0 HD13 LEU A 41 20.775 -7.487 -18.062 1.00 0.00 H new ATOM 0 HD21 LEU A 41 19.803 -7.285 -20.979 1.00 0.00 H new ATOM 0 HD22 LEU A 41 18.732 -7.644 -19.604 1.00 0.00 H new ATOM 0 HD23 LEU A 41 18.370 -6.274 -20.680 1.00 0.00 H new ATOM 692 N THR A 42 17.319 -2.590 -18.906 1.00 0.00 N ATOM 693 CA THR A 42 16.003 -1.968 -18.835 1.00 0.00 C ATOM 694 C THR A 42 14.957 -2.808 -19.559 1.00 0.00 C ATOM 695 O THR A 42 15.282 -3.566 -20.474 1.00 0.00 O ATOM 696 CB THR A 42 16.018 -0.552 -19.442 1.00 0.00 C ATOM 697 OG1 THR A 42 14.709 0.024 -19.374 1.00 0.00 O ATOM 698 CG2 THR A 42 16.487 -0.589 -20.889 1.00 0.00 C ATOM 0 H THR A 42 17.765 -2.531 -19.822 1.00 0.00 H new ATOM 0 HA THR A 42 15.742 -1.900 -17.779 1.00 0.00 H new ATOM 0 HB THR A 42 16.713 0.059 -18.867 1.00 0.00 H new ATOM 0 HG1 THR A 42 14.727 0.925 -19.760 1.00 0.00 H new ATOM 0 HG21 THR A 42 16.489 0.422 -21.297 1.00 0.00 H new ATOM 0 HG22 THR A 42 17.495 -1.001 -20.934 1.00 0.00 H new ATOM 0 HG23 THR A 42 15.813 -1.215 -21.474 1.00 0.00 H new ATOM 706 N ILE A 43 13.703 -2.668 -19.145 1.00 0.00 N ATOM 707 CA ILE A 43 12.609 -3.414 -19.757 1.00 0.00 C ATOM 708 C ILE A 43 12.644 -3.293 -21.276 1.00 0.00 C ATOM 709 O ILE A 43 12.541 -4.290 -21.990 1.00 0.00 O ATOM 710 CB ILE A 43 11.241 -2.927 -19.245 1.00 0.00 C ATOM 711 CG1 ILE A 43 10.989 -3.443 -17.827 1.00 0.00 C ATOM 712 CG2 ILE A 43 10.133 -3.381 -20.184 1.00 0.00 C ATOM 713 CD1 ILE A 43 11.708 -2.649 -16.759 1.00 0.00 C ATOM 0 H ILE A 43 13.418 -2.045 -18.389 1.00 0.00 H new ATOM 0 HA ILE A 43 12.742 -4.459 -19.475 1.00 0.00 H new ATOM 0 HB ILE A 43 11.246 -1.837 -19.219 1.00 0.00 H new ATOM 0 HG12 ILE A 43 9.918 -3.421 -17.626 1.00 0.00 H new ATOM 0 HG13 ILE A 43 11.303 -4.485 -17.767 1.00 0.00 H new ATOM 0 HG21 ILE A 43 9.172 -3.029 -19.809 1.00 0.00 H new ATOM 0 HG22 ILE A 43 10.307 -2.970 -21.178 1.00 0.00 H new ATOM 0 HG23 ILE A 43 10.125 -4.470 -20.238 1.00 0.00 H new ATOM 0 HD11 ILE A 43 11.484 -3.071 -15.779 1.00 0.00 H new ATOM 0 HD12 ILE A 43 12.783 -2.692 -16.935 1.00 0.00 H new ATOM 0 HD13 ILE A 43 11.376 -1.611 -16.792 1.00 0.00 H new ATOM 725 N GLU A 44 12.791 -2.065 -21.764 1.00 0.00 N ATOM 726 CA GLU A 44 12.840 -1.814 -23.199 1.00 0.00 C ATOM 727 C GLU A 44 13.887 -2.698 -23.870 1.00 0.00 C ATOM 728 O GLU A 44 13.759 -3.047 -25.043 1.00 0.00 O ATOM 729 CB GLU A 44 13.150 -0.341 -23.472 1.00 0.00 C ATOM 730 CG GLU A 44 13.309 -0.015 -24.948 1.00 0.00 C ATOM 731 CD GLU A 44 13.891 1.365 -25.181 1.00 0.00 C ATOM 732 OE1 GLU A 44 15.102 1.548 -24.936 1.00 0.00 O ATOM 733 OE2 GLU A 44 13.136 2.263 -25.609 1.00 0.00 O ATOM 0 H GLU A 44 12.878 -1.229 -21.186 1.00 0.00 H new ATOM 0 HA GLU A 44 11.863 -2.055 -23.617 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.350 0.273 -23.057 1.00 0.00 H new ATOM 0 HB3 GLU A 44 14.066 -0.068 -22.948 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.954 -0.760 -25.413 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.338 -0.083 -25.438 1.00 0.00 H new ATOM 740 N GLU A 45 14.922 -3.055 -23.117 1.00 0.00 N ATOM 741 CA GLU A 45 15.992 -3.897 -23.639 1.00 0.00 C ATOM 742 C GLU A 45 15.699 -5.372 -23.382 1.00 0.00 C ATOM 743 O GLU A 45 15.967 -6.227 -24.227 1.00 0.00 O ATOM 744 CB GLU A 45 17.330 -3.514 -23.003 1.00 0.00 C ATOM 745 CG GLU A 45 18.470 -4.448 -23.373 1.00 0.00 C ATOM 746 CD GLU A 45 19.402 -3.850 -24.408 1.00 0.00 C ATOM 747 OE1 GLU A 45 18.935 -3.561 -25.530 1.00 0.00 O ATOM 748 OE2 GLU A 45 20.598 -3.671 -24.097 1.00 0.00 O ATOM 0 H GLU A 45 15.042 -2.775 -22.144 1.00 0.00 H new ATOM 0 HA GLU A 45 16.051 -3.738 -24.716 1.00 0.00 H new ATOM 0 HB2 GLU A 45 17.590 -2.500 -23.306 1.00 0.00 H new ATOM 0 HB3 GLU A 45 17.217 -3.504 -21.919 1.00 0.00 H new ATOM 0 HG2 GLU A 45 19.039 -4.694 -22.476 1.00 0.00 H new ATOM 0 HG3 GLU A 45 18.059 -5.382 -23.756 1.00 0.00 H new ATOM 755 N PHE A 46 15.147 -5.664 -22.209 1.00 0.00 N ATOM 756 CA PHE A 46 14.818 -7.035 -21.838 1.00 0.00 C ATOM 757 C PHE A 46 13.689 -7.578 -22.709 1.00 0.00 C ATOM 758 O PHE A 46 13.535 -8.790 -22.862 1.00 0.00 O ATOM 759 CB PHE A 46 14.418 -7.106 -20.363 1.00 0.00 C ATOM 760 CG PHE A 46 13.082 -7.752 -20.134 1.00 0.00 C ATOM 761 CD1 PHE A 46 11.911 -7.029 -20.295 1.00 0.00 C ATOM 762 CD2 PHE A 46 12.997 -9.083 -19.757 1.00 0.00 C ATOM 763 CE1 PHE A 46 10.680 -7.621 -20.084 1.00 0.00 C ATOM 764 CE2 PHE A 46 11.769 -9.680 -19.545 1.00 0.00 C ATOM 765 CZ PHE A 46 10.609 -8.949 -19.710 1.00 0.00 C ATOM 0 H PHE A 46 14.918 -4.969 -21.499 1.00 0.00 H new ATOM 0 HA PHE A 46 15.704 -7.650 -21.997 1.00 0.00 H new ATOM 0 HB2 PHE A 46 15.179 -7.661 -19.815 1.00 0.00 H new ATOM 0 HB3 PHE A 46 14.400 -6.097 -19.951 1.00 0.00 H new ATOM 0 HD1 PHE A 46 11.961 -5.991 -20.589 1.00 0.00 H new ATOM 0 HD2 PHE A 46 13.901 -9.660 -19.627 1.00 0.00 H new ATOM 0 HE1 PHE A 46 9.775 -7.046 -20.211 1.00 0.00 H new ATOM 0 HE2 PHE A 46 11.716 -10.718 -19.250 1.00 0.00 H new ATOM 0 HZ PHE A 46 9.648 -9.415 -19.547 1.00 0.00 H new ATOM 775 N HIS A 47 12.899 -6.672 -23.277 1.00 0.00 N ATOM 776 CA HIS A 47 11.783 -7.058 -24.133 1.00 0.00 C ATOM 777 C HIS A 47 12.237 -7.213 -25.581 1.00 0.00 C ATOM 778 O HIS A 47 11.542 -7.816 -26.399 1.00 0.00 O ATOM 779 CB HIS A 47 10.663 -6.021 -24.045 1.00 0.00 C ATOM 780 CG HIS A 47 9.617 -6.179 -25.105 1.00 0.00 C ATOM 781 ND1 HIS A 47 9.193 -5.325 -26.065 1.00 0.00 N flip ATOM 782 CD2 HIS A 47 8.870 -7.328 -25.260 1.00 0.00 C flip ATOM 783 CE1 HIS A 47 8.209 -5.966 -26.776 1.00 0.00 C flip ATOM 784 NE2 HIS A 47 8.033 -7.174 -26.270 1.00 0.00 N flip ATOM 0 H HIS A 47 13.011 -5.665 -23.160 1.00 0.00 H new ATOM 0 HA HIS A 47 11.406 -8.019 -23.785 1.00 0.00 H new ATOM 0 HB2 HIS A 47 10.190 -6.091 -23.066 1.00 0.00 H new ATOM 0 HB3 HIS A 47 11.096 -5.023 -24.119 1.00 0.00 H new ATOM 0 HD1 HIS A 47 9.540 -4.380 -26.230 1.00 0.00 H new ATOM 0 HD2 HIS A 47 8.956 -8.215 -24.650 1.00 0.00 H new ATOM 0 HE1 HIS A 47 7.667 -5.551 -27.613 1.00 0.00 H new ATOM 792 N SER A 48 13.408 -6.664 -25.891 1.00 0.00 N ATOM 793 CA SER A 48 13.952 -6.737 -27.242 1.00 0.00 C ATOM 794 C SER A 48 14.627 -8.084 -27.484 1.00 0.00 C ATOM 795 O SER A 48 14.714 -8.553 -28.618 1.00 0.00 O ATOM 796 CB SER A 48 14.953 -5.603 -27.473 1.00 0.00 C ATOM 797 OG SER A 48 15.966 -5.995 -28.383 1.00 0.00 O ATOM 0 H SER A 48 13.997 -6.164 -25.225 1.00 0.00 H new ATOM 0 HA SER A 48 13.126 -6.633 -27.946 1.00 0.00 H new ATOM 0 HB2 SER A 48 14.432 -4.727 -27.859 1.00 0.00 H new ATOM 0 HB3 SER A 48 15.404 -5.313 -26.524 1.00 0.00 H new ATOM 0 HG SER A 48 16.592 -5.253 -28.515 1.00 0.00 H new ATOM 803 N LYS A 49 15.103 -8.701 -26.408 1.00 0.00 N ATOM 804 CA LYS A 49 15.770 -9.995 -26.500 1.00 0.00 C ATOM 805 C LYS A 49 14.789 -11.132 -26.230 1.00 0.00 C ATOM 806 O LYS A 49 14.975 -12.252 -26.708 1.00 0.00 O ATOM 807 CB LYS A 49 16.933 -10.064 -25.508 1.00 0.00 C ATOM 808 CG LYS A 49 18.298 -9.945 -26.163 1.00 0.00 C ATOM 809 CD LYS A 49 19.300 -9.267 -25.244 1.00 0.00 C ATOM 810 CE LYS A 49 18.901 -7.830 -24.947 1.00 0.00 C ATOM 811 NZ LYS A 49 20.083 -6.926 -24.894 1.00 0.00 N ATOM 0 H LYS A 49 15.039 -8.326 -25.462 1.00 0.00 H new ATOM 0 HA LYS A 49 16.158 -10.105 -27.513 1.00 0.00 H new ATOM 0 HB2 LYS A 49 16.821 -9.267 -24.773 1.00 0.00 H new ATOM 0 HB3 LYS A 49 16.881 -11.008 -24.965 1.00 0.00 H new ATOM 0 HG2 LYS A 49 18.662 -10.937 -26.431 1.00 0.00 H new ATOM 0 HG3 LYS A 49 18.210 -9.377 -27.089 1.00 0.00 H new ATOM 0 HD2 LYS A 49 19.375 -9.825 -24.311 1.00 0.00 H new ATOM 0 HD3 LYS A 49 20.287 -9.284 -25.705 1.00 0.00 H new ATOM 0 HE2 LYS A 49 18.210 -7.479 -25.713 1.00 0.00 H new ATOM 0 HE3 LYS A 49 18.370 -7.790 -23.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 20.132 -6.473 -23.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 20.949 -7.478 -25.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 19.994 -6.195 -25.629 1.00 0.00 H new ATOM 825 N LEU A 50 13.745 -10.837 -25.463 1.00 0.00 N ATOM 826 CA LEU A 50 12.734 -11.835 -25.131 1.00 0.00 C ATOM 827 C LEU A 50 11.741 -12.006 -26.276 1.00 0.00 C ATOM 828 O LEU A 50 11.328 -13.122 -26.591 1.00 0.00 O ATOM 829 CB LEU A 50 11.995 -11.435 -23.854 1.00 0.00 C ATOM 830 CG LEU A 50 11.519 -12.585 -22.965 1.00 0.00 C ATOM 831 CD1 LEU A 50 11.488 -12.155 -21.507 1.00 0.00 C ATOM 832 CD2 LEU A 50 10.146 -13.069 -23.409 1.00 0.00 C ATOM 0 H LEU A 50 13.577 -9.915 -25.060 1.00 0.00 H new ATOM 0 HA LEU A 50 13.238 -12.787 -24.968 1.00 0.00 H new ATOM 0 HB2 LEU A 50 12.651 -10.794 -23.264 1.00 0.00 H new ATOM 0 HB3 LEU A 50 11.129 -10.835 -24.132 1.00 0.00 H new ATOM 0 HG LEU A 50 12.223 -13.411 -23.064 1.00 0.00 H new ATOM 0 HD11 LEU A 50 11.147 -12.986 -20.890 1.00 0.00 H new ATOM 0 HD12 LEU A 50 12.489 -11.857 -21.194 1.00 0.00 H new ATOM 0 HD13 LEU A 50 10.806 -11.313 -21.390 1.00 0.00 H new ATOM 0 HD21 LEU A 50 9.823 -13.887 -22.765 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.431 -12.249 -23.340 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.199 -13.418 -24.440 1.00 0.00 H new ATOM 844 N GLN A 51 11.363 -10.892 -26.895 1.00 0.00 N ATOM 845 CA GLN A 51 10.418 -10.919 -28.006 1.00 0.00 C ATOM 846 C GLN A 51 10.981 -11.714 -29.180 1.00 0.00 C ATOM 847 O GLN A 51 10.240 -12.375 -29.906 1.00 0.00 O ATOM 848 CB GLN A 51 10.083 -9.495 -28.453 1.00 0.00 C ATOM 849 CG GLN A 51 9.314 -9.434 -29.762 1.00 0.00 C ATOM 850 CD GLN A 51 10.196 -9.069 -30.941 1.00 0.00 C ATOM 851 OE1 GLN A 51 11.124 -8.271 -30.812 1.00 0.00 O ATOM 852 NE2 GLN A 51 9.909 -9.653 -32.098 1.00 0.00 N ATOM 0 H GLN A 51 11.696 -9.960 -26.647 1.00 0.00 H new ATOM 0 HA GLN A 51 9.506 -11.408 -27.663 1.00 0.00 H new ATOM 0 HB2 GLN A 51 9.497 -9.007 -27.674 1.00 0.00 H new ATOM 0 HB3 GLN A 51 11.008 -8.929 -28.558 1.00 0.00 H new ATOM 0 HG2 GLN A 51 8.845 -10.400 -29.949 1.00 0.00 H new ATOM 0 HG3 GLN A 51 8.511 -8.702 -29.674 1.00 0.00 H new ATOM 0 HE21 GLN A 51 9.130 -10.309 -32.159 1.00 0.00 H new ATOM 0 HE22 GLN A 51 10.468 -9.446 -32.926 1.00 0.00 H new ATOM 861 N GLU A 52 12.297 -11.643 -29.359 1.00 0.00 N ATOM 862 CA GLU A 52 12.958 -12.356 -30.446 1.00 0.00 C ATOM 863 C GLU A 52 13.445 -13.726 -29.982 1.00 0.00 C ATOM 864 O GLU A 52 13.971 -14.509 -30.771 1.00 0.00 O ATOM 865 CB GLU A 52 14.135 -11.538 -30.980 1.00 0.00 C ATOM 866 CG GLU A 52 15.336 -11.521 -30.049 1.00 0.00 C ATOM 867 CD GLU A 52 16.441 -10.604 -30.539 1.00 0.00 C ATOM 868 OE1 GLU A 52 16.204 -9.853 -31.508 1.00 0.00 O ATOM 869 OE2 GLU A 52 17.543 -10.639 -29.952 1.00 0.00 O ATOM 0 H GLU A 52 12.925 -11.100 -28.766 1.00 0.00 H new ATOM 0 HA GLU A 52 12.232 -12.500 -31.246 1.00 0.00 H new ATOM 0 HB2 GLU A 52 14.440 -11.943 -31.945 1.00 0.00 H new ATOM 0 HB3 GLU A 52 13.806 -10.514 -31.153 1.00 0.00 H new ATOM 0 HG2 GLU A 52 15.017 -11.202 -29.057 1.00 0.00 H new ATOM 0 HG3 GLU A 52 15.727 -12.533 -29.948 1.00 0.00 H new ATOM 876 N ALA A 53 13.266 -14.006 -28.695 1.00 0.00 N ATOM 877 CA ALA A 53 13.685 -15.280 -28.125 1.00 0.00 C ATOM 878 C ALA A 53 12.506 -16.239 -27.997 1.00 0.00 C ATOM 879 O ALA A 53 12.600 -17.409 -28.370 1.00 0.00 O ATOM 880 CB ALA A 53 14.340 -15.062 -26.770 1.00 0.00 C ATOM 0 H ALA A 53 12.834 -13.367 -28.028 1.00 0.00 H new ATOM 0 HA ALA A 53 14.413 -15.730 -28.800 1.00 0.00 H new ATOM 0 HB1 ALA A 53 14.648 -16.022 -26.356 1.00 0.00 H new ATOM 0 HB2 ALA A 53 15.213 -14.420 -26.887 1.00 0.00 H new ATOM 0 HB3 ALA A 53 13.629 -14.587 -26.094 1.00 0.00 H new ATOM 886 N THR A 54 11.395 -15.736 -27.467 1.00 0.00 N ATOM 887 CA THR A 54 10.198 -16.548 -27.289 1.00 0.00 C ATOM 888 C THR A 54 9.541 -16.861 -28.628 1.00 0.00 C ATOM 889 O THR A 54 9.640 -17.979 -29.132 1.00 0.00 O ATOM 890 CB THR A 54 9.173 -15.845 -26.379 1.00 0.00 C ATOM 891 OG1 THR A 54 8.959 -14.502 -26.828 1.00 0.00 O ATOM 892 CG2 THR A 54 9.651 -15.832 -24.934 1.00 0.00 C ATOM 0 H THR A 54 11.300 -14.770 -27.154 1.00 0.00 H new ATOM 0 HA THR A 54 10.515 -17.478 -26.817 1.00 0.00 H new ATOM 0 HB THR A 54 8.235 -16.398 -26.430 1.00 0.00 H new ATOM 0 HG1 THR A 54 9.746 -13.957 -26.617 1.00 0.00 H new ATOM 0 HG21 THR A 54 8.911 -15.330 -24.310 1.00 0.00 H new ATOM 0 HG22 THR A 54 9.785 -16.856 -24.586 1.00 0.00 H new ATOM 0 HG23 THR A 54 10.600 -15.300 -24.870 1.00 0.00 H new ATOM 900 N ASN A 55 8.871 -15.866 -29.200 1.00 0.00 N ATOM 901 CA ASN A 55 8.197 -16.036 -30.482 1.00 0.00 C ATOM 902 C ASN A 55 8.088 -14.705 -31.220 1.00 0.00 C ATOM 903 O ASN A 55 8.122 -13.639 -30.607 1.00 0.00 O ATOM 904 CB ASN A 55 6.804 -16.633 -30.274 1.00 0.00 C ATOM 905 CG ASN A 55 6.327 -17.421 -31.479 1.00 0.00 C ATOM 906 OD1 ASN A 55 7.129 -17.876 -32.295 1.00 0.00 O ATOM 907 ND2 ASN A 55 5.014 -17.587 -31.596 1.00 0.00 N ATOM 0 H ASN A 55 8.780 -14.934 -28.796 1.00 0.00 H new ATOM 0 HA ASN A 55 8.791 -16.720 -31.089 1.00 0.00 H new ATOM 0 HB2 ASN A 55 6.817 -17.284 -29.400 1.00 0.00 H new ATOM 0 HB3 ASN A 55 6.096 -15.831 -30.064 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.634 -18.109 -32.386 1.00 0.00 H new ATOM 0 HD22 ASN A 55 4.386 -17.192 -30.896 1.00 0.00 H new ATOM 914 N PHE A 56 7.956 -14.776 -32.541 1.00 0.00 N ATOM 915 CA PHE A 56 7.842 -13.578 -33.363 1.00 0.00 C ATOM 916 C PHE A 56 6.803 -12.620 -32.787 1.00 0.00 C ATOM 917 O PHE A 56 7.105 -11.484 -32.420 1.00 0.00 O ATOM 918 CB PHE A 56 7.467 -13.952 -34.798 1.00 0.00 C ATOM 919 CG PHE A 56 8.529 -13.611 -35.804 1.00 0.00 C ATOM 920 CD1 PHE A 56 9.684 -14.371 -35.896 1.00 0.00 C ATOM 921 CD2 PHE A 56 8.373 -12.530 -36.657 1.00 0.00 C ATOM 922 CE1 PHE A 56 10.663 -14.061 -36.821 1.00 0.00 C ATOM 923 CE2 PHE A 56 9.348 -12.215 -37.584 1.00 0.00 C ATOM 924 CZ PHE A 56 10.495 -12.981 -37.665 1.00 0.00 C ATOM 0 H PHE A 56 7.925 -15.651 -33.064 1.00 0.00 H new ATOM 0 HA PHE A 56 8.810 -13.077 -33.367 1.00 0.00 H new ATOM 0 HB2 PHE A 56 7.264 -15.022 -34.845 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.544 -13.440 -35.069 1.00 0.00 H new ATOM 0 HD1 PHE A 56 9.821 -15.216 -35.237 1.00 0.00 H new ATOM 0 HD2 PHE A 56 7.479 -11.927 -36.596 1.00 0.00 H new ATOM 0 HE1 PHE A 56 11.558 -14.662 -36.884 1.00 0.00 H new ATOM 0 HE2 PHE A 56 9.214 -11.371 -38.244 1.00 0.00 H new ATOM 0 HZ PHE A 56 11.259 -12.735 -38.388 1.00 0.00 H new ATOM 934 N PRO A 57 5.549 -13.087 -32.706 1.00 0.00 N ATOM 935 CA PRO A 57 4.439 -12.289 -32.176 1.00 0.00 C ATOM 936 C PRO A 57 4.556 -12.061 -30.673 1.00 0.00 C ATOM 937 O PRO A 57 4.205 -12.930 -29.874 1.00 0.00 O ATOM 938 CB PRO A 57 3.207 -13.139 -32.494 1.00 0.00 C ATOM 939 CG PRO A 57 3.721 -14.535 -32.576 1.00 0.00 C ATOM 940 CD PRO A 57 5.117 -14.431 -33.125 1.00 0.00 C ATOM 0 HA PRO A 57 4.409 -11.291 -32.613 1.00 0.00 H new ATOM 0 HB2 PRO A 57 2.448 -13.042 -31.718 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.745 -12.831 -33.432 1.00 0.00 H new ATOM 0 HG2 PRO A 57 3.722 -15.009 -31.594 1.00 0.00 H new ATOM 0 HG3 PRO A 57 3.091 -15.145 -33.224 1.00 0.00 H new ATOM 0 HD2 PRO A 57 5.767 -15.207 -32.720 1.00 0.00 H new ATOM 0 HD3 PRO A 57 5.131 -14.538 -34.210 1.00 0.00 H new ATOM 948 N LEU A 58 5.049 -10.887 -30.294 1.00 0.00 N ATOM 949 CA LEU A 58 5.212 -10.545 -28.885 1.00 0.00 C ATOM 950 C LEU A 58 3.918 -10.785 -28.114 1.00 0.00 C ATOM 951 O LEU A 58 2.864 -11.019 -28.706 1.00 0.00 O ATOM 952 CB LEU A 58 5.640 -9.083 -28.741 1.00 0.00 C ATOM 953 CG LEU A 58 4.562 -8.037 -29.023 1.00 0.00 C ATOM 954 CD1 LEU A 58 4.011 -7.473 -27.722 1.00 0.00 C ATOM 955 CD2 LEU A 58 5.117 -6.921 -29.897 1.00 0.00 C ATOM 0 H LEU A 58 5.343 -10.156 -30.942 1.00 0.00 H new ATOM 0 HA LEU A 58 5.987 -11.187 -28.468 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.008 -8.931 -27.726 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.478 -8.903 -29.414 1.00 0.00 H new ATOM 0 HG LEU A 58 3.746 -8.521 -29.560 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.245 -6.730 -27.943 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.575 -8.279 -27.132 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.818 -7.005 -27.158 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.336 -6.185 -30.088 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.952 -6.440 -29.387 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.462 -7.337 -30.843 1.00 0.00 H new ATOM 967 N ARG A 59 4.005 -10.724 -26.789 1.00 0.00 N ATOM 968 CA ARG A 59 2.841 -10.934 -25.936 1.00 0.00 C ATOM 969 C ARG A 59 2.338 -9.610 -25.368 1.00 0.00 C ATOM 970 O ARG A 59 3.083 -8.639 -25.238 1.00 0.00 O ATOM 971 CB ARG A 59 3.184 -11.894 -24.796 1.00 0.00 C ATOM 972 CG ARG A 59 4.462 -11.531 -24.058 1.00 0.00 C ATOM 973 CD ARG A 59 4.234 -11.449 -22.557 1.00 0.00 C ATOM 974 NE ARG A 59 5.376 -11.958 -21.801 1.00 0.00 N ATOM 975 CZ ARG A 59 5.719 -13.241 -21.763 1.00 0.00 C ATOM 976 NH1 ARG A 59 5.012 -14.139 -22.434 1.00 0.00 N ATOM 977 NH2 ARG A 59 6.771 -13.626 -21.053 1.00 0.00 N ATOM 0 H ARG A 59 4.869 -10.531 -26.283 1.00 0.00 H new ATOM 0 HA ARG A 59 2.050 -11.372 -26.544 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.357 -11.912 -24.086 1.00 0.00 H new ATOM 0 HB3 ARG A 59 3.281 -12.902 -25.198 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.230 -12.275 -24.270 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.835 -10.574 -24.423 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.045 -10.413 -22.275 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.342 -12.018 -22.294 1.00 0.00 H new ATOM 0 HE ARG A 59 5.941 -11.292 -21.274 1.00 0.00 H new ATOM 0 HH11 ARG A 59 4.203 -13.846 -22.981 1.00 0.00 H new ATOM 0 HH12 ARG A 59 5.277 -15.123 -22.403 1.00 0.00 H new ATOM 0 HH21 ARG A 59 7.317 -12.937 -20.536 1.00 0.00 H new ATOM 0 HH22 ARG A 59 7.034 -14.611 -21.024 1.00 0.00 H new ATOM 991 N PRO A 60 1.043 -9.569 -25.020 1.00 0.00 N ATOM 992 CA PRO A 60 0.411 -8.371 -24.460 1.00 0.00 C ATOM 993 C PRO A 60 0.901 -8.064 -23.049 1.00 0.00 C ATOM 994 O PRO A 60 1.316 -8.962 -22.316 1.00 0.00 O ATOM 995 CB PRO A 60 -1.077 -8.729 -24.443 1.00 0.00 C ATOM 996 CG PRO A 60 -1.108 -10.217 -24.379 1.00 0.00 C ATOM 997 CD PRO A 60 0.096 -10.690 -25.147 1.00 0.00 C ATOM 0 HA PRO A 60 0.642 -7.479 -25.042 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -1.581 -8.285 -23.584 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -1.583 -8.361 -25.335 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -1.073 -10.564 -23.346 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -2.027 -10.607 -24.816 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.504 -11.610 -24.728 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -0.147 -10.895 -26.190 1.00 0.00 H new ATOM 1005 N PHE A 61 0.849 -6.790 -22.673 1.00 0.00 N ATOM 1006 CA PHE A 61 1.288 -6.364 -21.349 1.00 0.00 C ATOM 1007 C PHE A 61 2.612 -7.024 -20.977 1.00 0.00 C ATOM 1008 O PHE A 61 2.777 -7.529 -19.867 1.00 0.00 O ATOM 1009 CB PHE A 61 0.224 -6.704 -20.303 1.00 0.00 C ATOM 1010 CG PHE A 61 -1.168 -6.322 -20.717 1.00 0.00 C ATOM 1011 CD1 PHE A 61 -1.440 -5.048 -21.191 1.00 0.00 C ATOM 1012 CD2 PHE A 61 -2.205 -7.237 -20.633 1.00 0.00 C ATOM 1013 CE1 PHE A 61 -2.720 -4.694 -21.573 1.00 0.00 C ATOM 1014 CE2 PHE A 61 -3.487 -6.888 -21.015 1.00 0.00 C ATOM 1015 CZ PHE A 61 -3.745 -5.615 -21.484 1.00 0.00 C ATOM 0 H PHE A 61 0.507 -6.034 -23.267 1.00 0.00 H new ATOM 0 HA PHE A 61 1.434 -5.284 -21.371 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.253 -7.775 -20.101 1.00 0.00 H new ATOM 0 HB3 PHE A 61 0.469 -6.197 -19.370 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.642 -4.324 -21.263 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -2.010 -8.233 -20.265 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.918 -3.698 -21.941 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.287 -7.611 -20.947 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.746 -5.340 -21.781 1.00 0.00 H new ATOM 1025 N VAL A 62 3.554 -7.017 -21.915 1.00 0.00 N ATOM 1026 CA VAL A 62 4.865 -7.614 -21.687 1.00 0.00 C ATOM 1027 C VAL A 62 5.865 -6.573 -21.197 1.00 0.00 C ATOM 1028 O VAL A 62 6.717 -6.863 -20.358 1.00 0.00 O ATOM 1029 CB VAL A 62 5.412 -8.273 -22.967 1.00 0.00 C ATOM 1030 CG1 VAL A 62 5.813 -7.214 -23.983 1.00 0.00 C ATOM 1031 CG2 VAL A 62 6.587 -9.181 -22.638 1.00 0.00 C ATOM 0 H VAL A 62 3.434 -6.604 -22.840 1.00 0.00 H new ATOM 0 HA VAL A 62 4.736 -8.378 -20.921 1.00 0.00 H new ATOM 0 HB VAL A 62 4.623 -8.883 -23.407 1.00 0.00 H new ATOM 0 HG11 VAL A 62 6.197 -7.698 -24.881 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.944 -6.609 -24.241 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.586 -6.575 -23.556 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.961 -9.638 -23.554 1.00 0.00 H new ATOM 0 HG22 VAL A 62 7.381 -8.595 -22.175 1.00 0.00 H new ATOM 0 HG23 VAL A 62 6.262 -9.961 -21.949 1.00 0.00 H new ATOM 1041 N ILE A 63 5.755 -5.359 -21.727 1.00 0.00 N ATOM 1042 CA ILE A 63 6.649 -4.274 -21.343 1.00 0.00 C ATOM 1043 C ILE A 63 6.273 -3.710 -19.977 1.00 0.00 C ATOM 1044 O ILE A 63 7.097 -3.616 -19.067 1.00 0.00 O ATOM 1045 CB ILE A 63 6.631 -3.135 -22.379 1.00 0.00 C ATOM 1046 CG1 ILE A 63 7.667 -3.397 -23.475 1.00 0.00 C ATOM 1047 CG2 ILE A 63 6.895 -1.799 -21.702 1.00 0.00 C ATOM 1048 CD1 ILE A 63 7.130 -3.195 -24.874 1.00 0.00 C ATOM 0 H ILE A 63 5.055 -5.103 -22.424 1.00 0.00 H new ATOM 0 HA ILE A 63 7.653 -4.695 -21.296 1.00 0.00 H new ATOM 0 HB ILE A 63 5.644 -3.098 -22.839 1.00 0.00 H new ATOM 0 HG12 ILE A 63 8.520 -2.736 -23.323 1.00 0.00 H new ATOM 0 HG13 ILE A 63 8.035 -4.419 -23.380 1.00 0.00 H new ATOM 0 HG21 ILE A 63 6.879 -1.004 -22.447 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.124 -1.611 -20.955 1.00 0.00 H new ATOM 0 HG23 ILE A 63 7.871 -1.823 -21.218 1.00 0.00 H new ATOM 0 HD11 ILE A 63 7.918 -3.398 -25.599 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.296 -3.875 -25.045 1.00 0.00 H new ATOM 0 HD13 ILE A 63 6.789 -2.166 -24.988 1.00 0.00 H new ATOM 1060 N PRO A 64 4.996 -3.325 -19.827 1.00 0.00 N ATOM 1061 CA PRO A 64 4.480 -2.765 -18.575 1.00 0.00 C ATOM 1062 C PRO A 64 4.399 -3.807 -17.464 1.00 0.00 C ATOM 1063 O PRO A 64 4.112 -3.480 -16.313 1.00 0.00 O ATOM 1064 CB PRO A 64 3.080 -2.278 -18.955 1.00 0.00 C ATOM 1065 CG PRO A 64 2.688 -3.122 -20.119 1.00 0.00 C ATOM 1066 CD PRO A 64 3.959 -3.408 -20.869 1.00 0.00 C ATOM 0 HA PRO A 64 5.127 -1.981 -18.182 1.00 0.00 H new ATOM 0 HB2 PRO A 64 2.381 -2.397 -18.127 1.00 0.00 H new ATOM 0 HB3 PRO A 64 3.087 -1.220 -19.217 1.00 0.00 H new ATOM 0 HG2 PRO A 64 2.213 -4.046 -19.789 1.00 0.00 H new ATOM 0 HG3 PRO A 64 1.969 -2.603 -20.753 1.00 0.00 H new ATOM 0 HD2 PRO A 64 3.937 -4.392 -21.336 1.00 0.00 H new ATOM 0 HD3 PRO A 64 4.129 -2.682 -21.664 1.00 0.00 H new ATOM 1074 N PHE A 65 4.654 -5.062 -17.817 1.00 0.00 N ATOM 1075 CA PHE A 65 4.609 -6.153 -16.850 1.00 0.00 C ATOM 1076 C PHE A 65 5.736 -6.020 -15.829 1.00 0.00 C ATOM 1077 O PHE A 65 5.490 -5.834 -14.637 1.00 0.00 O ATOM 1078 CB PHE A 65 4.709 -7.502 -17.565 1.00 0.00 C ATOM 1079 CG PHE A 65 3.634 -8.472 -17.167 1.00 0.00 C ATOM 1080 CD1 PHE A 65 2.311 -8.069 -17.096 1.00 0.00 C ATOM 1081 CD2 PHE A 65 3.948 -9.787 -16.864 1.00 0.00 C ATOM 1082 CE1 PHE A 65 1.319 -8.960 -16.730 1.00 0.00 C ATOM 1083 CE2 PHE A 65 2.960 -10.682 -16.498 1.00 0.00 C ATOM 1084 CZ PHE A 65 1.644 -10.268 -16.430 1.00 0.00 C ATOM 0 H PHE A 65 4.894 -5.349 -18.766 1.00 0.00 H new ATOM 0 HA PHE A 65 3.656 -6.100 -16.323 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.659 -7.338 -18.641 1.00 0.00 H new ATOM 0 HB3 PHE A 65 5.683 -7.944 -17.355 1.00 0.00 H new ATOM 0 HD1 PHE A 65 2.051 -7.047 -17.329 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.975 -10.116 -16.914 1.00 0.00 H new ATOM 0 HE1 PHE A 65 0.291 -8.633 -16.679 1.00 0.00 H new ATOM 0 HE2 PHE A 65 3.217 -11.705 -16.265 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.871 -10.966 -16.143 1.00 0.00 H new ATOM 1094 N LEU A 66 6.972 -6.119 -16.306 1.00 0.00 N ATOM 1095 CA LEU A 66 8.138 -6.011 -15.436 1.00 0.00 C ATOM 1096 C LEU A 66 8.447 -4.552 -15.117 1.00 0.00 C ATOM 1097 O LEU A 66 9.019 -4.241 -14.072 1.00 0.00 O ATOM 1098 CB LEU A 66 9.352 -6.669 -16.094 1.00 0.00 C ATOM 1099 CG LEU A 66 9.525 -8.167 -15.839 1.00 0.00 C ATOM 1100 CD1 LEU A 66 10.766 -8.690 -16.545 1.00 0.00 C ATOM 1101 CD2 LEU A 66 9.601 -8.448 -14.345 1.00 0.00 C ATOM 0 H LEU A 66 7.193 -6.274 -17.290 1.00 0.00 H new ATOM 0 HA LEU A 66 7.913 -6.528 -14.503 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.288 -6.509 -17.170 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.250 -6.156 -15.749 1.00 0.00 H new ATOM 0 HG LEU A 66 8.657 -8.687 -16.243 1.00 0.00 H new ATOM 0 HD11 LEU A 66 10.872 -9.757 -16.352 1.00 0.00 H new ATOM 0 HD12 LEU A 66 10.672 -8.523 -17.618 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.645 -8.165 -16.172 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.724 -9.519 -14.182 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.451 -7.916 -13.917 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.683 -8.111 -13.864 1.00 0.00 H new ATOM 1113 N LYS A 67 8.062 -3.660 -16.023 1.00 0.00 N ATOM 1114 CA LYS A 67 8.294 -2.232 -15.839 1.00 0.00 C ATOM 1115 C LYS A 67 7.916 -1.798 -14.426 1.00 0.00 C ATOM 1116 O LYS A 67 8.549 -0.915 -13.848 1.00 0.00 O ATOM 1117 CB LYS A 67 7.491 -1.427 -16.863 1.00 0.00 C ATOM 1118 CG LYS A 67 8.211 -1.237 -18.187 1.00 0.00 C ATOM 1119 CD LYS A 67 9.162 -0.053 -18.140 1.00 0.00 C ATOM 1120 CE LYS A 67 8.424 1.262 -18.345 1.00 0.00 C ATOM 1121 NZ LYS A 67 9.359 2.420 -18.398 1.00 0.00 N ATOM 0 H LYS A 67 7.587 -3.901 -16.893 1.00 0.00 H new ATOM 0 HA LYS A 67 9.356 -2.040 -15.988 1.00 0.00 H new ATOM 0 HB2 LYS A 67 6.541 -1.930 -17.044 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.258 -0.449 -16.442 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.767 -2.142 -18.433 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.480 -1.086 -18.981 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.677 -0.037 -17.180 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.925 -0.167 -18.910 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.850 1.216 -19.270 1.00 0.00 H new ATOM 0 HE3 LYS A 67 7.710 1.408 -17.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.818 3.297 -18.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 9.889 2.480 -17.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 10.024 2.293 -19.187 1.00 0.00 H new ATOM 1135 N ALA A 68 6.882 -2.425 -13.876 1.00 0.00 N ATOM 1136 CA ALA A 68 6.422 -2.106 -12.530 1.00 0.00 C ATOM 1137 C ALA A 68 6.795 -3.210 -11.546 1.00 0.00 C ATOM 1138 O ALA A 68 6.843 -2.986 -10.337 1.00 0.00 O ATOM 1139 CB ALA A 68 4.918 -1.878 -12.526 1.00 0.00 C ATOM 0 H ALA A 68 6.346 -3.157 -14.342 1.00 0.00 H new ATOM 0 HA ALA A 68 6.918 -1.189 -12.211 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.589 -1.641 -11.514 1.00 0.00 H new ATOM 0 HB2 ALA A 68 4.674 -1.049 -13.191 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.412 -2.780 -12.870 1.00 0.00 H new ATOM 1145 N ASN A 69 7.056 -4.402 -12.073 1.00 0.00 N ATOM 1146 CA ASN A 69 7.423 -5.541 -11.240 1.00 0.00 C ATOM 1147 C ASN A 69 8.930 -5.582 -11.007 1.00 0.00 C ATOM 1148 O ASN A 69 9.443 -6.488 -10.349 1.00 0.00 O ATOM 1149 CB ASN A 69 6.961 -6.846 -11.892 1.00 0.00 C ATOM 1150 CG ASN A 69 5.711 -7.407 -11.241 1.00 0.00 C ATOM 1151 OD1 ASN A 69 4.550 -6.958 -11.704 1.00 0.00 O flip ATOM 1152 ND2 ASN A 69 5.789 -8.234 -10.332 1.00 0.00 N flip ATOM 0 H ASN A 69 7.020 -4.604 -13.072 1.00 0.00 H new ATOM 0 HA ASN A 69 6.927 -5.429 -10.276 1.00 0.00 H new ATOM 0 HB2 ASN A 69 6.769 -6.672 -12.951 1.00 0.00 H new ATOM 0 HB3 ASN A 69 7.762 -7.583 -11.830 1.00 0.00 H new ATOM 0 HD21 ASN A 69 6.703 -8.551 -10.008 1.00 0.00 H new ATOM 0 HD22 ASN A 69 4.940 -8.602 -9.903 1.00 0.00 H new ATOM 1159 N LEU A 70 9.634 -4.595 -11.550 1.00 0.00 N ATOM 1160 CA LEU A 70 11.083 -4.517 -11.402 1.00 0.00 C ATOM 1161 C LEU A 70 11.493 -4.729 -9.948 1.00 0.00 C ATOM 1162 O LEU A 70 12.299 -5.602 -9.626 1.00 0.00 O ATOM 1163 CB LEU A 70 11.594 -3.162 -11.896 1.00 0.00 C ATOM 1164 CG LEU A 70 12.784 -3.203 -12.854 1.00 0.00 C ATOM 1165 CD1 LEU A 70 14.040 -3.657 -12.126 1.00 0.00 C ATOM 1166 CD2 LEU A 70 12.489 -4.118 -14.034 1.00 0.00 C ATOM 0 H LEU A 70 9.225 -3.837 -12.097 1.00 0.00 H new ATOM 0 HA LEU A 70 11.529 -5.308 -12.005 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.772 -2.645 -12.391 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.872 -2.563 -11.029 1.00 0.00 H new ATOM 0 HG LEU A 70 12.953 -2.196 -13.235 1.00 0.00 H new ATOM 0 HD11 LEU A 70 14.877 -3.680 -12.824 1.00 0.00 H new ATOM 0 HD12 LEU A 70 14.262 -2.962 -11.316 1.00 0.00 H new ATOM 0 HD13 LEU A 70 13.882 -4.654 -11.716 1.00 0.00 H new ATOM 0 HD21 LEU A 70 13.348 -4.134 -14.705 1.00 0.00 H new ATOM 0 HD22 LEU A 70 12.292 -5.127 -13.672 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.616 -3.749 -14.571 1.00 0.00 H new ATOM 1178 N PRO A 71 10.926 -3.913 -9.048 1.00 0.00 N ATOM 1179 CA PRO A 71 11.215 -3.993 -7.613 1.00 0.00 C ATOM 1180 C PRO A 71 10.643 -5.255 -6.976 1.00 0.00 C ATOM 1181 O PRO A 71 10.967 -5.588 -5.835 1.00 0.00 O ATOM 1182 CB PRO A 71 10.531 -2.748 -7.043 1.00 0.00 C ATOM 1183 CG PRO A 71 9.441 -2.439 -8.009 1.00 0.00 C ATOM 1184 CD PRO A 71 9.957 -2.849 -9.361 1.00 0.00 C ATOM 0 HA PRO A 71 12.286 -4.035 -7.415 1.00 0.00 H new ATOM 0 HB2 PRO A 71 10.134 -2.936 -6.045 1.00 0.00 H new ATOM 0 HB3 PRO A 71 11.231 -1.917 -6.956 1.00 0.00 H new ATOM 0 HG2 PRO A 71 8.531 -2.983 -7.757 1.00 0.00 H new ATOM 0 HG3 PRO A 71 9.193 -1.378 -7.991 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.155 -3.212 -10.004 1.00 0.00 H new ATOM 0 HD3 PRO A 71 10.429 -2.015 -9.881 1.00 0.00 H new ATOM 1192 N LEU A 72 9.792 -5.953 -7.719 1.00 0.00 N ATOM 1193 CA LEU A 72 9.174 -7.180 -7.226 1.00 0.00 C ATOM 1194 C LEU A 72 9.986 -8.403 -7.641 1.00 0.00 C ATOM 1195 O LEU A 72 9.974 -9.429 -6.961 1.00 0.00 O ATOM 1196 CB LEU A 72 7.743 -7.300 -7.753 1.00 0.00 C ATOM 1197 CG LEU A 72 6.661 -6.612 -6.920 1.00 0.00 C ATOM 1198 CD1 LEU A 72 6.750 -7.047 -5.465 1.00 0.00 C ATOM 1199 CD2 LEU A 72 6.781 -5.099 -7.035 1.00 0.00 C ATOM 0 H LEU A 72 9.514 -5.691 -8.665 1.00 0.00 H new ATOM 0 HA LEU A 72 9.151 -7.135 -6.137 1.00 0.00 H new ATOM 0 HB2 LEU A 72 7.713 -6.889 -8.762 1.00 0.00 H new ATOM 0 HB3 LEU A 72 7.494 -8.358 -7.833 1.00 0.00 H new ATOM 0 HG LEU A 72 5.687 -6.910 -7.308 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.972 -6.547 -4.888 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.614 -8.126 -5.399 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.728 -6.780 -5.064 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.003 -4.626 -6.436 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.760 -4.783 -6.674 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.666 -4.803 -8.078 1.00 0.00 H new ATOM 1211 N LEU A 73 10.691 -8.286 -8.761 1.00 0.00 N ATOM 1212 CA LEU A 73 11.511 -9.381 -9.266 1.00 0.00 C ATOM 1213 C LEU A 73 12.940 -9.278 -8.742 1.00 0.00 C ATOM 1214 O LEU A 73 13.648 -10.280 -8.642 1.00 0.00 O ATOM 1215 CB LEU A 73 11.516 -9.378 -10.796 1.00 0.00 C ATOM 1216 CG LEU A 73 10.649 -10.441 -11.472 1.00 0.00 C ATOM 1217 CD1 LEU A 73 11.066 -11.833 -11.025 1.00 0.00 C ATOM 1218 CD2 LEU A 73 9.177 -10.200 -11.169 1.00 0.00 C ATOM 0 H LEU A 73 10.711 -7.444 -9.336 1.00 0.00 H new ATOM 0 HA LEU A 73 11.080 -10.317 -8.912 1.00 0.00 H new ATOM 0 HB2 LEU A 73 11.186 -8.397 -11.139 1.00 0.00 H new ATOM 0 HB3 LEU A 73 12.544 -9.506 -11.136 1.00 0.00 H new ATOM 0 HG LEU A 73 10.794 -10.369 -12.550 1.00 0.00 H new ATOM 0 HD11 LEU A 73 10.438 -12.576 -11.516 1.00 0.00 H new ATOM 0 HD12 LEU A 73 12.108 -12.004 -11.293 1.00 0.00 H new ATOM 0 HD13 LEU A 73 10.951 -11.918 -9.944 1.00 0.00 H new ATOM 0 HD21 LEU A 73 8.575 -10.966 -11.658 1.00 0.00 H new ATOM 0 HD22 LEU A 73 9.015 -10.244 -10.092 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.885 -9.217 -11.540 1.00 0.00 H new ATOM 1230 N GLN A 74 13.356 -8.061 -8.407 1.00 0.00 N ATOM 1231 CA GLN A 74 14.700 -7.828 -7.892 1.00 0.00 C ATOM 1232 C GLN A 74 14.742 -8.011 -6.378 1.00 0.00 C ATOM 1233 O GLN A 74 15.816 -8.058 -5.778 1.00 0.00 O ATOM 1234 CB GLN A 74 15.174 -6.421 -8.260 1.00 0.00 C ATOM 1235 CG GLN A 74 14.452 -5.318 -7.503 1.00 0.00 C ATOM 1236 CD GLN A 74 15.124 -4.979 -6.186 1.00 0.00 C ATOM 1237 OE1 GLN A 74 16.351 -4.962 -6.088 1.00 0.00 O ATOM 1238 NE2 GLN A 74 14.320 -4.707 -5.165 1.00 0.00 N ATOM 0 H GLN A 74 12.782 -7.221 -8.483 1.00 0.00 H new ATOM 0 HA GLN A 74 15.368 -8.559 -8.347 1.00 0.00 H new ATOM 0 HB2 GLN A 74 16.244 -6.344 -8.064 1.00 0.00 H new ATOM 0 HB3 GLN A 74 15.034 -6.268 -9.330 1.00 0.00 H new ATOM 0 HG2 GLN A 74 14.408 -4.424 -8.125 1.00 0.00 H new ATOM 0 HG3 GLN A 74 13.424 -5.625 -7.314 1.00 0.00 H new ATOM 0 HE21 GLN A 74 13.308 -4.733 -5.292 1.00 0.00 H new ATOM 0 HE22 GLN A 74 14.714 -4.472 -4.254 1.00 0.00 H new ATOM 1247 N ARG A 75 13.566 -8.114 -5.767 1.00 0.00 N ATOM 1248 CA ARG A 75 13.468 -8.290 -4.323 1.00 0.00 C ATOM 1249 C ARG A 75 13.352 -9.768 -3.962 1.00 0.00 C ATOM 1250 O ARG A 75 13.614 -10.162 -2.826 1.00 0.00 O ATOM 1251 CB ARG A 75 12.264 -7.523 -3.774 1.00 0.00 C ATOM 1252 CG ARG A 75 10.927 -8.157 -4.124 1.00 0.00 C ATOM 1253 CD ARG A 75 9.763 -7.306 -3.642 1.00 0.00 C ATOM 1254 NE ARG A 75 9.573 -7.406 -2.198 1.00 0.00 N ATOM 1255 CZ ARG A 75 9.020 -8.456 -1.601 1.00 0.00 C ATOM 1256 NH1 ARG A 75 8.606 -9.490 -2.320 1.00 0.00 N ATOM 1257 NH2 ARG A 75 8.881 -8.474 -0.281 1.00 0.00 N ATOM 0 H ARG A 75 12.668 -8.079 -6.250 1.00 0.00 H new ATOM 0 HA ARG A 75 14.378 -7.894 -3.872 1.00 0.00 H new ATOM 0 HB2 ARG A 75 12.351 -7.454 -2.690 1.00 0.00 H new ATOM 0 HB3 ARG A 75 12.286 -6.504 -4.161 1.00 0.00 H new ATOM 0 HG2 ARG A 75 10.858 -8.291 -5.204 1.00 0.00 H new ATOM 0 HG3 ARG A 75 10.865 -9.148 -3.675 1.00 0.00 H new ATOM 0 HD2 ARG A 75 9.938 -6.265 -3.913 1.00 0.00 H new ATOM 0 HD3 ARG A 75 8.851 -7.618 -4.150 1.00 0.00 H new ATOM 0 HE ARG A 75 9.882 -6.627 -1.616 1.00 0.00 H new ATOM 0 HH11 ARG A 75 8.712 -9.481 -3.334 1.00 0.00 H new ATOM 0 HH12 ARG A 75 8.182 -10.295 -1.859 1.00 0.00 H new ATOM 0 HH21 ARG A 75 9.199 -7.681 0.276 1.00 0.00 H new ATOM 0 HH22 ARG A 75 8.456 -9.281 0.176 1.00 0.00 H new ATOM 1271 N GLU A 76 12.955 -10.580 -4.937 1.00 0.00 N ATOM 1272 CA GLU A 76 12.802 -12.014 -4.721 1.00 0.00 C ATOM 1273 C GLU A 76 14.117 -12.746 -4.975 1.00 0.00 C ATOM 1274 O GLU A 76 14.360 -13.820 -4.423 1.00 0.00 O ATOM 1275 CB GLU A 76 11.709 -12.576 -5.632 1.00 0.00 C ATOM 1276 CG GLU A 76 12.167 -12.808 -7.062 1.00 0.00 C ATOM 1277 CD GLU A 76 11.009 -12.923 -8.034 1.00 0.00 C ATOM 1278 OE1 GLU A 76 10.067 -12.110 -7.933 1.00 0.00 O ATOM 1279 OE2 GLU A 76 11.045 -13.826 -8.896 1.00 0.00 O ATOM 0 H GLU A 76 12.734 -10.270 -5.883 1.00 0.00 H new ATOM 0 HA GLU A 76 12.514 -12.170 -3.681 1.00 0.00 H new ATOM 0 HB2 GLU A 76 11.351 -13.518 -5.217 1.00 0.00 H new ATOM 0 HB3 GLU A 76 10.863 -11.888 -5.637 1.00 0.00 H new ATOM 0 HG2 GLU A 76 12.815 -11.987 -7.370 1.00 0.00 H new ATOM 0 HG3 GLU A 76 12.764 -13.719 -7.105 1.00 0.00 H new ATOM 1286 N LEU A 77 14.961 -12.158 -5.816 1.00 0.00 N ATOM 1287 CA LEU A 77 16.252 -12.753 -6.145 1.00 0.00 C ATOM 1288 C LEU A 77 17.055 -13.044 -4.881 1.00 0.00 C ATOM 1289 O LEU A 77 17.901 -13.940 -4.863 1.00 0.00 O ATOM 1290 CB LEU A 77 17.045 -11.822 -7.064 1.00 0.00 C ATOM 1291 CG LEU A 77 17.813 -12.497 -8.201 1.00 0.00 C ATOM 1292 CD1 LEU A 77 16.893 -12.761 -9.383 1.00 0.00 C ATOM 1293 CD2 LEU A 77 18.998 -11.642 -8.626 1.00 0.00 C ATOM 0 H LEU A 77 14.775 -11.270 -6.282 1.00 0.00 H new ATOM 0 HA LEU A 77 16.069 -13.695 -6.662 1.00 0.00 H new ATOM 0 HB2 LEU A 77 16.355 -11.098 -7.498 1.00 0.00 H new ATOM 0 HB3 LEU A 77 17.755 -11.261 -6.456 1.00 0.00 H new ATOM 0 HG LEU A 77 18.192 -13.453 -7.840 1.00 0.00 H new ATOM 0 HD11 LEU A 77 17.457 -13.242 -10.183 1.00 0.00 H new ATOM 0 HD12 LEU A 77 16.078 -13.414 -9.071 1.00 0.00 H new ATOM 0 HD13 LEU A 77 16.484 -11.817 -9.744 1.00 0.00 H new ATOM 0 HD21 LEU A 77 19.533 -12.138 -9.436 1.00 0.00 H new ATOM 0 HD22 LEU A 77 18.642 -10.670 -8.968 1.00 0.00 H new ATOM 0 HD23 LEU A 77 19.670 -11.504 -7.779 1.00 0.00 H new ATOM 1305 N LEU A 78 16.784 -12.285 -3.826 1.00 0.00 N ATOM 1306 CA LEU A 78 17.480 -12.463 -2.556 1.00 0.00 C ATOM 1307 C LEU A 78 17.240 -13.861 -1.995 1.00 0.00 C ATOM 1308 O LEU A 78 17.990 -14.336 -1.142 1.00 0.00 O ATOM 1309 CB LEU A 78 17.019 -11.410 -1.547 1.00 0.00 C ATOM 1310 CG LEU A 78 17.883 -10.152 -1.448 1.00 0.00 C ATOM 1311 CD1 LEU A 78 17.010 -8.909 -1.376 1.00 0.00 C ATOM 1312 CD2 LEU A 78 18.802 -10.231 -0.238 1.00 0.00 C ATOM 0 H LEU A 78 16.087 -11.540 -3.824 1.00 0.00 H new ATOM 0 HA LEU A 78 18.548 -12.342 -2.735 1.00 0.00 H new ATOM 0 HB2 LEU A 78 16.003 -11.110 -1.804 1.00 0.00 H new ATOM 0 HB3 LEU A 78 16.975 -11.875 -0.562 1.00 0.00 H new ATOM 0 HG LEU A 78 18.500 -10.086 -2.344 1.00 0.00 H new ATOM 0 HD11 LEU A 78 17.642 -8.024 -1.306 1.00 0.00 H new ATOM 0 HD12 LEU A 78 16.394 -8.845 -2.273 1.00 0.00 H new ATOM 0 HD13 LEU A 78 16.367 -8.966 -0.498 1.00 0.00 H new ATOM 0 HD21 LEU A 78 19.410 -9.328 -0.183 1.00 0.00 H new ATOM 0 HD22 LEU A 78 18.203 -10.321 0.668 1.00 0.00 H new ATOM 0 HD23 LEU A 78 19.452 -11.101 -0.331 1.00 0.00 H new ATOM 1324 N HIS A 79 16.190 -14.515 -2.480 1.00 0.00 N ATOM 1325 CA HIS A 79 15.852 -15.861 -2.029 1.00 0.00 C ATOM 1326 C HIS A 79 16.722 -16.902 -2.727 1.00 0.00 C ATOM 1327 O HIS A 79 16.884 -18.019 -2.236 1.00 0.00 O ATOM 1328 CB HIS A 79 14.375 -16.154 -2.292 1.00 0.00 C ATOM 1329 CG HIS A 79 14.008 -17.595 -2.109 1.00 0.00 C ATOM 1330 ND1 HIS A 79 13.418 -18.081 -0.962 1.00 0.00 N ATOM 1331 CD2 HIS A 79 14.150 -18.656 -2.937 1.00 0.00 C ATOM 1332 CE1 HIS A 79 13.214 -19.380 -1.092 1.00 0.00 C ATOM 1333 NE2 HIS A 79 13.649 -19.754 -2.282 1.00 0.00 N ATOM 0 H HIS A 79 15.558 -14.135 -3.185 1.00 0.00 H new ATOM 0 HA HIS A 79 16.040 -15.916 -0.957 1.00 0.00 H new ATOM 0 HB2 HIS A 79 13.768 -15.545 -1.622 1.00 0.00 H new ATOM 0 HB3 HIS A 79 14.129 -15.851 -3.310 1.00 0.00 H new ATOM 0 HD2 HIS A 79 14.578 -18.642 -3.929 1.00 0.00 H new ATOM 0 HE1 HIS A 79 12.767 -20.026 -0.351 1.00 0.00 H new ATOM 0 HE2 HIS A 79 13.618 -20.703 -2.654 1.00 0.00 H new ATOM 1341 N ALA A 80 17.278 -16.528 -3.874 1.00 0.00 N ATOM 1342 CA ALA A 80 18.132 -17.429 -4.638 1.00 0.00 C ATOM 1343 C ALA A 80 19.494 -17.593 -3.971 1.00 0.00 C ATOM 1344 O ALA A 80 20.133 -18.637 -4.092 1.00 0.00 O ATOM 1345 CB ALA A 80 18.298 -16.919 -6.062 1.00 0.00 C ATOM 0 H ALA A 80 17.153 -15.607 -4.295 1.00 0.00 H new ATOM 0 HA ALA A 80 17.651 -18.407 -4.668 1.00 0.00 H new ATOM 0 HB1 ALA A 80 18.938 -17.602 -6.621 1.00 0.00 H new ATOM 0 HB2 ALA A 80 17.322 -16.861 -6.544 1.00 0.00 H new ATOM 0 HB3 ALA A 80 18.753 -15.929 -6.043 1.00 0.00 H new ATOM 1351 N ALA A 81 19.932 -16.553 -3.269 1.00 0.00 N ATOM 1352 CA ALA A 81 21.217 -16.582 -2.582 1.00 0.00 C ATOM 1353 C ALA A 81 21.172 -17.510 -1.372 1.00 0.00 C ATOM 1354 O ALA A 81 22.013 -18.397 -1.227 1.00 0.00 O ATOM 1355 CB ALA A 81 21.621 -15.178 -2.157 1.00 0.00 C ATOM 0 H ALA A 81 19.416 -15.680 -3.161 1.00 0.00 H new ATOM 0 HA ALA A 81 21.963 -16.968 -3.277 1.00 0.00 H new ATOM 0 HB1 ALA A 81 22.583 -15.215 -1.645 1.00 0.00 H new ATOM 0 HB2 ALA A 81 21.703 -14.541 -3.038 1.00 0.00 H new ATOM 0 HB3 ALA A 81 20.867 -14.771 -1.483 1.00 0.00 H new ATOM 1361 N ARG A 82 20.186 -17.299 -0.507 1.00 0.00 N ATOM 1362 CA ARG A 82 20.033 -18.115 0.691 1.00 0.00 C ATOM 1363 C ARG A 82 20.003 -19.599 0.338 1.00 0.00 C ATOM 1364 O ARG A 82 20.362 -20.450 1.153 1.00 0.00 O ATOM 1365 CB ARG A 82 18.753 -17.732 1.436 1.00 0.00 C ATOM 1366 CG ARG A 82 17.504 -17.797 0.573 1.00 0.00 C ATOM 1367 CD ARG A 82 16.262 -17.409 1.360 1.00 0.00 C ATOM 1368 NE ARG A 82 15.256 -18.468 1.353 1.00 0.00 N ATOM 1369 CZ ARG A 82 14.284 -18.563 2.254 1.00 0.00 C ATOM 1370 NH1 ARG A 82 14.187 -17.668 3.227 1.00 0.00 N ATOM 1371 NH2 ARG A 82 13.406 -19.556 2.181 1.00 0.00 N ATOM 0 H ARG A 82 19.481 -16.570 -0.613 1.00 0.00 H new ATOM 0 HA ARG A 82 20.891 -17.930 1.337 1.00 0.00 H new ATOM 0 HB2 ARG A 82 18.628 -18.396 2.292 1.00 0.00 H new ATOM 0 HB3 ARG A 82 18.860 -16.721 1.830 1.00 0.00 H new ATOM 0 HG2 ARG A 82 17.617 -17.131 -0.283 1.00 0.00 H new ATOM 0 HG3 ARG A 82 17.385 -18.806 0.178 1.00 0.00 H new ATOM 0 HD2 ARG A 82 16.541 -17.181 2.389 1.00 0.00 H new ATOM 0 HD3 ARG A 82 15.834 -16.500 0.937 1.00 0.00 H new ATOM 0 HE ARG A 82 15.302 -19.173 0.617 1.00 0.00 H new ATOM 0 HH11 ARG A 82 14.860 -16.903 3.286 1.00 0.00 H new ATOM 0 HH12 ARG A 82 13.440 -17.744 3.917 1.00 0.00 H new ATOM 0 HH21 ARG A 82 13.478 -20.246 1.433 1.00 0.00 H new ATOM 0 HH22 ARG A 82 12.660 -19.629 2.873 1.00 0.00 H new ATOM 1385 N LEU A 83 19.573 -19.903 -0.882 1.00 0.00 N ATOM 1386 CA LEU A 83 19.496 -21.284 -1.344 1.00 0.00 C ATOM 1387 C LEU A 83 20.727 -21.653 -2.166 1.00 0.00 C ATOM 1388 O LEU A 83 21.055 -22.830 -2.317 1.00 0.00 O ATOM 1389 CB LEU A 83 18.231 -21.494 -2.178 1.00 0.00 C ATOM 1390 CG LEU A 83 17.796 -22.945 -2.384 1.00 0.00 C ATOM 1391 CD1 LEU A 83 17.220 -23.518 -1.098 1.00 0.00 C ATOM 1392 CD2 LEU A 83 16.782 -23.042 -3.515 1.00 0.00 C ATOM 0 H LEU A 83 19.272 -19.211 -1.569 1.00 0.00 H new ATOM 0 HA LEU A 83 19.459 -21.932 -0.468 1.00 0.00 H new ATOM 0 HB2 LEU A 83 17.412 -20.954 -1.702 1.00 0.00 H new ATOM 0 HB3 LEU A 83 18.386 -21.040 -3.157 1.00 0.00 H new ATOM 0 HG LEU A 83 18.673 -23.532 -2.657 1.00 0.00 H new ATOM 0 HD11 LEU A 83 16.916 -24.551 -1.264 1.00 0.00 H new ATOM 0 HD12 LEU A 83 17.976 -23.484 -0.314 1.00 0.00 H new ATOM 0 HD13 LEU A 83 16.354 -22.930 -0.793 1.00 0.00 H new ATOM 0 HD21 LEU A 83 16.483 -24.082 -3.648 1.00 0.00 H new ATOM 0 HD22 LEU A 83 15.906 -22.441 -3.271 1.00 0.00 H new ATOM 0 HD23 LEU A 83 17.230 -22.672 -4.438 1.00 0.00 H new ATOM 1404 N ALA A 84 21.405 -20.639 -2.694 1.00 0.00 N ATOM 1405 CA ALA A 84 22.602 -20.857 -3.497 1.00 0.00 C ATOM 1406 C ALA A 84 23.859 -20.808 -2.634 1.00 0.00 C ATOM 1407 O ALA A 84 24.973 -20.975 -3.131 1.00 0.00 O ATOM 1408 CB ALA A 84 22.685 -19.824 -4.611 1.00 0.00 C ATOM 0 H ALA A 84 21.146 -19.659 -2.580 1.00 0.00 H new ATOM 0 HA ALA A 84 22.536 -21.850 -3.941 1.00 0.00 H new ATOM 0 HB1 ALA A 84 23.584 -19.998 -5.203 1.00 0.00 H new ATOM 0 HB2 ALA A 84 21.807 -19.908 -5.251 1.00 0.00 H new ATOM 0 HB3 ALA A 84 22.724 -18.824 -4.178 1.00 0.00 H new ATOM 1414 N LYS A 85 23.672 -20.579 -1.338 1.00 0.00 N ATOM 1415 CA LYS A 85 24.790 -20.509 -0.405 1.00 0.00 C ATOM 1416 C LYS A 85 25.743 -19.379 -0.781 1.00 0.00 C ATOM 1417 O LYS A 85 26.935 -19.436 -0.481 1.00 0.00 O ATOM 1418 CB LYS A 85 25.545 -21.840 -0.380 1.00 0.00 C ATOM 1419 CG LYS A 85 24.706 -23.006 0.115 1.00 0.00 C ATOM 1420 CD LYS A 85 24.124 -23.804 -1.039 1.00 0.00 C ATOM 1421 CE LYS A 85 22.806 -24.459 -0.656 1.00 0.00 C ATOM 1422 NZ LYS A 85 23.003 -25.585 0.298 1.00 0.00 N ATOM 0 H LYS A 85 22.757 -20.439 -0.910 1.00 0.00 H new ATOM 0 HA LYS A 85 24.389 -20.307 0.588 1.00 0.00 H new ATOM 0 HB2 LYS A 85 25.905 -22.063 -1.384 1.00 0.00 H new ATOM 0 HB3 LYS A 85 26.423 -21.738 0.258 1.00 0.00 H new ATOM 0 HG2 LYS A 85 25.319 -23.658 0.737 1.00 0.00 H new ATOM 0 HG3 LYS A 85 23.898 -22.633 0.744 1.00 0.00 H new ATOM 0 HD2 LYS A 85 23.970 -23.147 -1.895 1.00 0.00 H new ATOM 0 HD3 LYS A 85 24.835 -24.570 -1.348 1.00 0.00 H new ATOM 0 HE2 LYS A 85 22.147 -23.715 -0.208 1.00 0.00 H new ATOM 0 HE3 LYS A 85 22.309 -24.826 -1.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 22.081 -26.005 0.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 23.611 -26.307 -0.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 23.454 -25.230 1.165 1.00 0.00 H new ATOM 1436 N GLN A 86 25.209 -18.354 -1.437 1.00 0.00 N ATOM 1437 CA GLN A 86 26.013 -17.211 -1.852 1.00 0.00 C ATOM 1438 C GLN A 86 25.297 -15.901 -1.542 1.00 0.00 C ATOM 1439 O GLN A 86 24.212 -15.897 -0.964 1.00 0.00 O ATOM 1440 CB GLN A 86 26.323 -17.295 -3.348 1.00 0.00 C ATOM 1441 CG GLN A 86 26.583 -18.711 -3.837 1.00 0.00 C ATOM 1442 CD GLN A 86 27.668 -18.773 -4.894 1.00 0.00 C ATOM 1443 OE1 GLN A 86 28.845 -18.555 -4.605 1.00 0.00 O ATOM 1444 NE2 GLN A 86 27.277 -19.072 -6.127 1.00 0.00 N ATOM 0 H GLN A 86 24.223 -18.292 -1.692 1.00 0.00 H new ATOM 0 HA GLN A 86 26.948 -17.234 -1.292 1.00 0.00 H new ATOM 0 HB2 GLN A 86 25.488 -16.874 -3.908 1.00 0.00 H new ATOM 0 HB3 GLN A 86 27.195 -16.679 -3.565 1.00 0.00 H new ATOM 0 HG2 GLN A 86 26.869 -19.337 -2.991 1.00 0.00 H new ATOM 0 HG3 GLN A 86 25.661 -19.126 -4.244 1.00 0.00 H new ATOM 0 HE21 GLN A 86 26.291 -19.245 -6.321 1.00 0.00 H new ATOM 0 HE22 GLN A 86 27.963 -19.129 -6.880 1.00 0.00 H new ATOM 1453 N ASN A 87 25.914 -14.789 -1.929 1.00 0.00 N ATOM 1454 CA ASN A 87 25.336 -13.471 -1.691 1.00 0.00 C ATOM 1455 C ASN A 87 24.201 -13.190 -2.671 1.00 0.00 C ATOM 1456 O ASN A 87 24.156 -13.728 -3.778 1.00 0.00 O ATOM 1457 CB ASN A 87 26.412 -12.390 -1.815 1.00 0.00 C ATOM 1458 CG ASN A 87 26.819 -11.823 -0.469 1.00 0.00 C ATOM 1459 OD1 ASN A 87 26.370 -10.747 -0.074 1.00 0.00 O ATOM 1460 ND2 ASN A 87 27.675 -12.547 0.243 1.00 0.00 N ATOM 0 H ASN A 87 26.814 -14.774 -2.409 1.00 0.00 H new ATOM 0 HA ASN A 87 24.930 -13.456 -0.679 1.00 0.00 H new ATOM 0 HB2 ASN A 87 27.288 -12.808 -2.310 1.00 0.00 H new ATOM 0 HB3 ASN A 87 26.042 -11.584 -2.449 1.00 0.00 H new ATOM 0 HD21 ASN A 87 27.986 -12.217 1.157 1.00 0.00 H new ATOM 0 HD22 ASN A 87 28.022 -13.433 -0.124 1.00 0.00 H new ATOM 1467 N PRO A 88 23.262 -12.326 -2.257 1.00 0.00 N ATOM 1468 CA PRO A 88 22.111 -11.953 -3.084 1.00 0.00 C ATOM 1469 C PRO A 88 22.510 -11.097 -4.281 1.00 0.00 C ATOM 1470 O PRO A 88 21.918 -11.201 -5.355 1.00 0.00 O ATOM 1471 CB PRO A 88 21.230 -11.151 -2.123 1.00 0.00 C ATOM 1472 CG PRO A 88 22.174 -10.612 -1.104 1.00 0.00 C ATOM 1473 CD PRO A 88 23.253 -11.647 -0.951 1.00 0.00 C ATOM 0 HA PRO A 88 21.616 -12.825 -3.511 1.00 0.00 H new ATOM 0 HB2 PRO A 88 20.707 -10.348 -2.642 1.00 0.00 H new ATOM 0 HB3 PRO A 88 20.469 -11.782 -1.663 1.00 0.00 H new ATOM 0 HG2 PRO A 88 22.591 -9.658 -1.425 1.00 0.00 H new ATOM 0 HG3 PRO A 88 21.666 -10.435 -0.156 1.00 0.00 H new ATOM 0 HD2 PRO A 88 24.218 -11.192 -0.728 1.00 0.00 H new ATOM 0 HD3 PRO A 88 23.033 -12.340 -0.139 1.00 0.00 H new ATOM 1481 N ALA A 89 23.517 -10.252 -4.089 1.00 0.00 N ATOM 1482 CA ALA A 89 23.996 -9.380 -5.155 1.00 0.00 C ATOM 1483 C ALA A 89 25.149 -10.026 -5.915 1.00 0.00 C ATOM 1484 O ALA A 89 25.466 -9.626 -7.036 1.00 0.00 O ATOM 1485 CB ALA A 89 24.425 -8.036 -4.584 1.00 0.00 C ATOM 0 H ALA A 89 24.017 -10.152 -3.206 1.00 0.00 H new ATOM 0 HA ALA A 89 23.177 -9.220 -5.856 1.00 0.00 H new ATOM 0 HB1 ALA A 89 24.780 -7.395 -5.391 1.00 0.00 H new ATOM 0 HB2 ALA A 89 23.576 -7.562 -4.091 1.00 0.00 H new ATOM 0 HB3 ALA A 89 25.226 -8.187 -3.861 1.00 0.00 H new ATOM 1491 N GLN A 90 25.773 -11.025 -5.299 1.00 0.00 N ATOM 1492 CA GLN A 90 26.892 -11.724 -5.919 1.00 0.00 C ATOM 1493 C GLN A 90 26.428 -13.023 -6.572 1.00 0.00 C ATOM 1494 O GLN A 90 27.176 -13.656 -7.317 1.00 0.00 O ATOM 1495 CB GLN A 90 27.975 -12.020 -4.880 1.00 0.00 C ATOM 1496 CG GLN A 90 28.275 -10.846 -3.963 1.00 0.00 C ATOM 1497 CD GLN A 90 29.269 -11.195 -2.873 1.00 0.00 C ATOM 1498 OE1 GLN A 90 29.615 -12.362 -2.683 1.00 0.00 O ATOM 1499 NE2 GLN A 90 29.735 -10.184 -2.150 1.00 0.00 N ATOM 0 H GLN A 90 25.523 -11.368 -4.372 1.00 0.00 H new ATOM 0 HA GLN A 90 27.308 -11.078 -6.692 1.00 0.00 H new ATOM 0 HB2 GLN A 90 27.664 -12.872 -4.276 1.00 0.00 H new ATOM 0 HB3 GLN A 90 28.891 -12.312 -5.395 1.00 0.00 H new ATOM 0 HG2 GLN A 90 28.666 -10.019 -4.555 1.00 0.00 H new ATOM 0 HG3 GLN A 90 27.348 -10.500 -3.506 1.00 0.00 H new ATOM 0 HE21 GLN A 90 29.421 -9.233 -2.342 1.00 0.00 H new ATOM 0 HE22 GLN A 90 30.407 -10.359 -1.403 1.00 0.00 H new ATOM 1508 N TYR A 91 25.191 -13.413 -6.286 1.00 0.00 N ATOM 1509 CA TYR A 91 24.629 -14.638 -6.843 1.00 0.00 C ATOM 1510 C TYR A 91 24.840 -14.697 -8.352 1.00 0.00 C ATOM 1511 O TYR A 91 25.494 -15.607 -8.865 1.00 0.00 O ATOM 1512 CB TYR A 91 23.136 -14.731 -6.521 1.00 0.00 C ATOM 1513 CG TYR A 91 22.432 -15.860 -7.238 1.00 0.00 C ATOM 1514 CD1 TYR A 91 22.872 -17.172 -7.110 1.00 0.00 C ATOM 1515 CD2 TYR A 91 21.326 -15.616 -8.043 1.00 0.00 C ATOM 1516 CE1 TYR A 91 22.232 -18.207 -7.764 1.00 0.00 C ATOM 1517 CE2 TYR A 91 20.679 -16.645 -8.699 1.00 0.00 C ATOM 1518 CZ TYR A 91 21.136 -17.939 -8.557 1.00 0.00 C ATOM 1519 OH TYR A 91 20.494 -18.966 -9.210 1.00 0.00 O ATOM 0 H TYR A 91 24.559 -12.899 -5.672 1.00 0.00 H new ATOM 0 HA TYR A 91 25.145 -15.484 -6.389 1.00 0.00 H new ATOM 0 HB2 TYR A 91 23.012 -14.861 -5.446 1.00 0.00 H new ATOM 0 HB3 TYR A 91 22.656 -13.789 -6.785 1.00 0.00 H new ATOM 0 HD1 TYR A 91 23.729 -17.386 -6.489 1.00 0.00 H new ATOM 0 HD2 TYR A 91 20.966 -14.604 -8.158 1.00 0.00 H new ATOM 0 HE1 TYR A 91 22.588 -19.221 -7.655 1.00 0.00 H new ATOM 0 HE2 TYR A 91 19.820 -16.438 -9.320 1.00 0.00 H new ATOM 0 HH TYR A 91 19.742 -18.607 -9.725 1.00 0.00 H new ATOM 1529 N LEU A 92 24.282 -13.721 -9.060 1.00 0.00 N ATOM 1530 CA LEU A 92 24.409 -13.660 -10.512 1.00 0.00 C ATOM 1531 C LEU A 92 25.618 -12.824 -10.918 1.00 0.00 C ATOM 1532 O LEU A 92 26.321 -13.155 -11.873 1.00 0.00 O ATOM 1533 CB LEU A 92 23.138 -13.073 -11.130 1.00 0.00 C ATOM 1534 CG LEU A 92 22.844 -13.481 -12.574 1.00 0.00 C ATOM 1535 CD1 LEU A 92 23.929 -12.963 -13.506 1.00 0.00 C ATOM 1536 CD2 LEU A 92 22.719 -14.993 -12.686 1.00 0.00 C ATOM 0 H LEU A 92 23.737 -12.961 -8.652 1.00 0.00 H new ATOM 0 HA LEU A 92 24.551 -14.675 -10.883 1.00 0.00 H new ATOM 0 HB2 LEU A 92 22.289 -13.364 -10.511 1.00 0.00 H new ATOM 0 HB3 LEU A 92 23.206 -11.986 -11.087 1.00 0.00 H new ATOM 0 HG LEU A 92 21.895 -13.035 -12.872 1.00 0.00 H new ATOM 0 HD11 LEU A 92 23.703 -13.263 -14.529 1.00 0.00 H new ATOM 0 HD12 LEU A 92 23.970 -11.875 -13.447 1.00 0.00 H new ATOM 0 HD13 LEU A 92 24.892 -13.379 -13.210 1.00 0.00 H new ATOM 0 HD21 LEU A 92 22.510 -15.265 -13.721 1.00 0.00 H new ATOM 0 HD22 LEU A 92 23.652 -15.460 -12.370 1.00 0.00 H new ATOM 0 HD23 LEU A 92 21.906 -15.339 -12.048 1.00 0.00 H new ATOM 1548 N ALA A 93 25.856 -11.741 -10.186 1.00 0.00 N ATOM 1549 CA ALA A 93 26.983 -10.860 -10.468 1.00 0.00 C ATOM 1550 C ALA A 93 28.302 -11.622 -10.410 1.00 0.00 C ATOM 1551 O ALA A 93 29.104 -11.564 -11.342 1.00 0.00 O ATOM 1552 CB ALA A 93 27.000 -9.696 -9.489 1.00 0.00 C ATOM 0 H ALA A 93 25.283 -11.452 -9.393 1.00 0.00 H new ATOM 0 HA ALA A 93 26.864 -10.469 -11.478 1.00 0.00 H new ATOM 0 HB1 ALA A 93 27.847 -9.046 -9.711 1.00 0.00 H new ATOM 0 HB2 ALA A 93 26.074 -9.129 -9.581 1.00 0.00 H new ATOM 0 HB3 ALA A 93 27.092 -10.077 -8.472 1.00 0.00 H new ATOM 1558 N GLN A 94 28.521 -12.335 -9.310 1.00 0.00 N ATOM 1559 CA GLN A 94 29.745 -13.108 -9.132 1.00 0.00 C ATOM 1560 C GLN A 94 30.966 -12.194 -9.105 1.00 0.00 C ATOM 1561 O GLN A 94 32.064 -12.597 -9.490 1.00 0.00 O ATOM 1562 CB GLN A 94 29.890 -14.139 -10.252 1.00 0.00 C ATOM 1563 CG GLN A 94 28.649 -14.993 -10.458 1.00 0.00 C ATOM 1564 CD GLN A 94 28.443 -16.001 -9.344 1.00 0.00 C ATOM 1565 OE1 GLN A 94 28.668 -15.702 -8.171 1.00 0.00 O ATOM 1566 NE2 GLN A 94 28.014 -17.204 -9.707 1.00 0.00 N ATOM 0 H GLN A 94 27.867 -12.394 -8.529 1.00 0.00 H new ATOM 0 HA GLN A 94 29.681 -13.628 -8.176 1.00 0.00 H new ATOM 0 HB2 GLN A 94 30.123 -13.622 -11.183 1.00 0.00 H new ATOM 0 HB3 GLN A 94 30.735 -14.790 -10.028 1.00 0.00 H new ATOM 0 HG2 GLN A 94 27.774 -14.346 -10.524 1.00 0.00 H new ATOM 0 HG3 GLN A 94 28.729 -15.519 -11.409 1.00 0.00 H new ATOM 0 HE21 GLN A 94 27.840 -17.408 -10.691 1.00 0.00 H new ATOM 0 HE22 GLN A 94 27.858 -17.924 -9.002 1.00 0.00 H new ATOM 1575 N HIS A 95 30.767 -10.962 -8.647 1.00 0.00 N ATOM 1576 CA HIS A 95 31.852 -9.990 -8.570 1.00 0.00 C ATOM 1577 C HIS A 95 31.760 -9.174 -7.284 1.00 0.00 C ATOM 1578 O HIS A 95 30.849 -9.368 -6.479 1.00 0.00 O ATOM 1579 CB HIS A 95 31.820 -9.060 -9.782 1.00 0.00 C ATOM 1580 CG HIS A 95 32.521 -9.616 -10.983 1.00 0.00 C ATOM 1581 ND1 HIS A 95 33.844 -10.004 -10.969 1.00 0.00 N ATOM 1582 CD2 HIS A 95 32.075 -9.851 -12.239 1.00 0.00 C ATOM 1583 CE1 HIS A 95 34.182 -10.452 -12.166 1.00 0.00 C ATOM 1584 NE2 HIS A 95 33.126 -10.370 -12.955 1.00 0.00 N ATOM 0 H HIS A 95 29.865 -10.613 -8.324 1.00 0.00 H new ATOM 0 HA HIS A 95 32.796 -10.536 -8.566 1.00 0.00 H new ATOM 0 HB2 HIS A 95 30.782 -8.851 -10.042 1.00 0.00 H new ATOM 0 HB3 HIS A 95 32.279 -8.109 -9.512 1.00 0.00 H new ATOM 0 HD2 HIS A 95 31.078 -9.665 -12.610 1.00 0.00 H new ATOM 0 HE1 HIS A 95 35.156 -10.822 -12.450 1.00 0.00 H new ATOM 0 HE2 HIS A 95 33.096 -10.647 -13.936 1.00 0.00 H new ATOM 1592 N GLU A 96 32.708 -8.260 -7.099 1.00 0.00 N ATOM 1593 CA GLU A 96 32.732 -7.416 -5.911 1.00 0.00 C ATOM 1594 C GLU A 96 31.945 -6.129 -6.141 1.00 0.00 C ATOM 1595 O GLU A 96 31.307 -5.608 -5.226 1.00 0.00 O ATOM 1596 CB GLU A 96 34.175 -7.082 -5.525 1.00 0.00 C ATOM 1597 CG GLU A 96 34.286 -6.025 -4.439 1.00 0.00 C ATOM 1598 CD GLU A 96 33.537 -6.406 -3.177 1.00 0.00 C ATOM 1599 OE1 GLU A 96 33.288 -7.613 -2.976 1.00 0.00 O ATOM 1600 OE2 GLU A 96 33.200 -5.497 -2.390 1.00 0.00 O ATOM 0 H GLU A 96 33.468 -8.086 -7.756 1.00 0.00 H new ATOM 0 HA GLU A 96 32.263 -7.967 -5.096 1.00 0.00 H new ATOM 0 HB2 GLU A 96 34.671 -7.992 -5.187 1.00 0.00 H new ATOM 0 HB3 GLU A 96 34.709 -6.738 -6.411 1.00 0.00 H new ATOM 0 HG2 GLU A 96 35.337 -5.865 -4.199 1.00 0.00 H new ATOM 0 HG3 GLU A 96 33.897 -5.079 -4.816 1.00 0.00 H new ATOM 1607 N GLN A 97 31.996 -5.623 -7.369 1.00 0.00 N ATOM 1608 CA GLN A 97 31.289 -4.397 -7.719 1.00 0.00 C ATOM 1609 C GLN A 97 29.820 -4.481 -7.316 1.00 0.00 C ATOM 1610 O GLN A 97 29.195 -3.471 -6.993 1.00 0.00 O ATOM 1611 CB GLN A 97 31.404 -4.128 -9.220 1.00 0.00 C ATOM 1612 CG GLN A 97 32.815 -3.785 -9.671 1.00 0.00 C ATOM 1613 CD GLN A 97 33.110 -4.264 -11.078 1.00 0.00 C ATOM 1614 OE1 GLN A 97 33.181 -5.466 -11.336 1.00 0.00 O ATOM 1615 NE2 GLN A 97 33.286 -3.323 -11.999 1.00 0.00 N ATOM 0 H GLN A 97 32.519 -6.043 -8.137 1.00 0.00 H new ATOM 0 HA GLN A 97 31.750 -3.574 -7.173 1.00 0.00 H new ATOM 0 HB2 GLN A 97 31.061 -5.007 -9.765 1.00 0.00 H new ATOM 0 HB3 GLN A 97 30.737 -3.308 -9.486 1.00 0.00 H new ATOM 0 HG2 GLN A 97 32.956 -2.705 -9.622 1.00 0.00 H new ATOM 0 HG3 GLN A 97 33.531 -4.232 -8.981 1.00 0.00 H new ATOM 0 HE21 GLN A 97 33.218 -2.338 -11.742 1.00 0.00 H new ATOM 0 HE22 GLN A 97 33.489 -3.585 -12.964 1.00 0.00 H new ATOM 1624 N LEU A 98 29.275 -5.692 -7.339 1.00 0.00 N ATOM 1625 CA LEU A 98 27.879 -5.909 -6.976 1.00 0.00 C ATOM 1626 C LEU A 98 27.764 -6.464 -5.560 1.00 0.00 C ATOM 1627 O LEU A 98 27.530 -7.658 -5.366 1.00 0.00 O ATOM 1628 CB LEU A 98 27.217 -6.869 -7.967 1.00 0.00 C ATOM 1629 CG LEU A 98 26.673 -6.239 -9.250 1.00 0.00 C ATOM 1630 CD1 LEU A 98 25.616 -5.196 -8.925 1.00 0.00 C ATOM 1631 CD2 LEU A 98 27.802 -5.622 -10.062 1.00 0.00 C ATOM 0 H LEU A 98 29.778 -6.538 -7.605 1.00 0.00 H new ATOM 0 HA LEU A 98 27.367 -4.948 -7.012 1.00 0.00 H new ATOM 0 HB2 LEU A 98 27.943 -7.634 -8.241 1.00 0.00 H new ATOM 0 HB3 LEU A 98 26.397 -7.376 -7.459 1.00 0.00 H new ATOM 0 HG LEU A 98 26.209 -7.023 -9.849 1.00 0.00 H new ATOM 0 HD11 LEU A 98 25.240 -4.758 -9.850 1.00 0.00 H new ATOM 0 HD12 LEU A 98 24.794 -5.667 -8.386 1.00 0.00 H new ATOM 0 HD13 LEU A 98 26.055 -4.414 -8.306 1.00 0.00 H new ATOM 0 HD21 LEU A 98 27.396 -5.179 -10.971 1.00 0.00 H new ATOM 0 HD22 LEU A 98 28.296 -4.850 -9.471 1.00 0.00 H new ATOM 0 HD23 LEU A 98 28.524 -6.394 -10.326 1.00 0.00 H new ATOM 1643 N LEU A 99 27.927 -5.590 -4.573 1.00 0.00 N ATOM 1644 CA LEU A 99 27.839 -5.991 -3.173 1.00 0.00 C ATOM 1645 C LEU A 99 26.523 -5.529 -2.556 1.00 0.00 C ATOM 1646 O LEU A 99 25.979 -6.184 -1.665 1.00 0.00 O ATOM 1647 CB LEU A 99 29.015 -5.416 -2.383 1.00 0.00 C ATOM 1648 CG LEU A 99 28.961 -3.915 -2.095 1.00 0.00 C ATOM 1649 CD1 LEU A 99 28.274 -3.651 -0.764 1.00 0.00 C ATOM 1650 CD2 LEU A 99 30.362 -3.320 -2.102 1.00 0.00 C ATOM 0 H LEU A 99 28.121 -4.599 -4.716 1.00 0.00 H new ATOM 0 HA LEU A 99 27.877 -7.079 -3.129 1.00 0.00 H new ATOM 0 HB2 LEU A 99 29.082 -5.946 -1.433 1.00 0.00 H new ATOM 0 HB3 LEU A 99 29.933 -5.628 -2.931 1.00 0.00 H new ATOM 0 HG LEU A 99 28.380 -3.434 -2.882 1.00 0.00 H new ATOM 0 HD11 LEU A 99 28.245 -2.578 -0.576 1.00 0.00 H new ATOM 0 HD12 LEU A 99 27.257 -4.041 -0.796 1.00 0.00 H new ATOM 0 HD13 LEU A 99 28.827 -4.144 0.035 1.00 0.00 H new ATOM 0 HD21 LEU A 99 30.304 -2.251 -1.895 1.00 0.00 H new ATOM 0 HD22 LEU A 99 30.967 -3.806 -1.337 1.00 0.00 H new ATOM 0 HD23 LEU A 99 30.819 -3.476 -3.079 1.00 0.00 H new ATOM 1662 N LEU A 100 26.014 -4.400 -3.036 1.00 0.00 N ATOM 1663 CA LEU A 100 24.759 -3.851 -2.533 1.00 0.00 C ATOM 1664 C LEU A 100 23.596 -4.227 -3.446 1.00 0.00 C ATOM 1665 O LEU A 100 22.708 -4.985 -3.056 1.00 0.00 O ATOM 1666 CB LEU A 100 24.857 -2.330 -2.413 1.00 0.00 C ATOM 1667 CG LEU A 100 23.859 -1.666 -1.464 1.00 0.00 C ATOM 1668 CD1 LEU A 100 24.236 -1.941 -0.016 1.00 0.00 C ATOM 1669 CD2 LEU A 100 23.791 -0.168 -1.723 1.00 0.00 C ATOM 0 H LEU A 100 26.451 -3.846 -3.773 1.00 0.00 H new ATOM 0 HA LEU A 100 24.574 -4.276 -1.546 1.00 0.00 H new ATOM 0 HB2 LEU A 100 25.865 -2.076 -2.084 1.00 0.00 H new ATOM 0 HB3 LEU A 100 24.727 -1.898 -3.405 1.00 0.00 H new ATOM 0 HG LEU A 100 22.873 -2.092 -1.649 1.00 0.00 H new ATOM 0 HD11 LEU A 100 23.515 -1.461 0.645 1.00 0.00 H new ATOM 0 HD12 LEU A 100 24.233 -3.016 0.163 1.00 0.00 H new ATOM 0 HD13 LEU A 100 25.231 -1.543 0.183 1.00 0.00 H new ATOM 0 HD21 LEU A 100 23.076 0.288 -1.038 1.00 0.00 H new ATOM 0 HD22 LEU A 100 24.775 0.273 -1.566 1.00 0.00 H new ATOM 0 HD23 LEU A 100 23.473 0.010 -2.750 1.00 0.00 H new ATOM 1681 N ASP A 101 23.610 -3.695 -4.663 1.00 0.00 N ATOM 1682 CA ASP A 101 22.558 -3.976 -5.633 1.00 0.00 C ATOM 1683 C ASP A 101 21.198 -3.528 -5.106 1.00 0.00 C ATOM 1684 O ASP A 101 20.175 -4.150 -5.392 1.00 0.00 O ATOM 1685 CB ASP A 101 22.525 -5.470 -5.961 1.00 0.00 C ATOM 1686 CG ASP A 101 21.655 -5.779 -7.164 1.00 0.00 C ATOM 1687 OD1 ASP A 101 21.781 -5.070 -8.185 1.00 0.00 O ATOM 1688 OD2 ASP A 101 20.850 -6.730 -7.086 1.00 0.00 O ATOM 0 H ASP A 101 24.339 -3.066 -5.002 1.00 0.00 H new ATOM 0 HA ASP A 101 22.777 -3.416 -6.542 1.00 0.00 H new ATOM 0 HB2 ASP A 101 23.540 -5.820 -6.150 1.00 0.00 H new ATOM 0 HB3 ASP A 101 22.154 -6.021 -5.097 1.00 0.00 H new ATOM 1693 N ALA A 102 21.196 -2.447 -4.334 1.00 0.00 N ATOM 1694 CA ALA A 102 19.963 -1.915 -3.767 1.00 0.00 C ATOM 1695 C ALA A 102 19.347 -0.863 -4.683 1.00 0.00 C ATOM 1696 O ALA A 102 19.987 -0.394 -5.625 1.00 0.00 O ATOM 1697 CB ALA A 102 20.225 -1.329 -2.388 1.00 0.00 C ATOM 0 H ALA A 102 22.035 -1.922 -4.087 1.00 0.00 H new ATOM 0 HA ALA A 102 19.253 -2.736 -3.671 1.00 0.00 H new ATOM 0 HB1 ALA A 102 19.295 -0.936 -1.977 1.00 0.00 H new ATOM 0 HB2 ALA A 102 20.612 -2.107 -1.730 1.00 0.00 H new ATOM 0 HB3 ALA A 102 20.956 -0.524 -2.468 1.00 0.00 H new ATOM 1703 N SER A 103 18.101 -0.496 -4.401 1.00 0.00 N ATOM 1704 CA SER A 103 17.397 0.498 -5.203 1.00 0.00 C ATOM 1705 C SER A 103 16.850 1.618 -4.322 1.00 0.00 C ATOM 1706 O SER A 103 15.724 1.541 -3.832 1.00 0.00 O ATOM 1707 CB SER A 103 16.255 -0.158 -5.981 1.00 0.00 C ATOM 1708 OG SER A 103 15.679 0.749 -6.905 1.00 0.00 O ATOM 0 H SER A 103 17.558 -0.872 -3.623 1.00 0.00 H new ATOM 0 HA SER A 103 18.107 0.928 -5.909 1.00 0.00 H new ATOM 0 HB2 SER A 103 16.629 -1.034 -6.511 1.00 0.00 H new ATOM 0 HB3 SER A 103 15.491 -0.508 -5.286 1.00 0.00 H new ATOM 0 HG SER A 103 14.953 0.305 -7.390 1.00 0.00 H new TER 1714 SER A 103