USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 801 hydrogens (14 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 NoAdj-H: A 98 ASNHD21 : A 98 ASN ND2 : A 135 NAG C1 :(H bumps) USER MOD Set 1.1: A 90 LYS NZ :NH3+ -142:sc= -0.671 (180deg=-1.64!) USER MOD Set 1.2: A 94 GLN : amide:sc= -0.0354 K(o=-0.71,f=-1.9!) USER MOD Set 2.1: A 82 GLN :FLIP amide:sc= -1.92! C(o=-2.8!,f=-1.9!) USER MOD Set 2.2: A 84 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 66 THR OG1 : rot -39:sc= 1.24 USER MOD Set 3.2: A 121 TYR OH : rot 30:sc= 1.22 USER MOD Single : A 35 MET CE :methyl 144:sc= -0.787 (180deg=-1.63) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -162:sc= -0.592 (180deg=-1.67!) USER MOD Single : A 60 ASN : amide:sc= -2.03 K(o=-2,f=-3.5!) USER MOD Single : A 62 ASN : amide:sc= -2.36! C(o=-2.4!,f=-3.9!) USER MOD Single : A 63 TYR OH : rot 150:sc= -0.601 USER MOD Single : A 69 LYS NZ :NH3+ -114:sc= -0.844 (180deg=-2.76!) USER MOD Single : A 77 GLN :FLIP amide:sc= -3.34! C(o=-5.9!,f=-3.3!) USER MOD Single : A 78 MET CE :methyl 144:sc= -3.61! (180deg=-7.15!) USER MOD Single : A 80 ASN : amide:sc= 0.529 K(o=0.53,f=-0.00041) USER MOD Single : A 92 MET CE :methyl -104:sc= -2.2! (180deg=-4.8!) USER MOD Single : A 93 SER OG : rot -172:sc= 0.726 USER MOD Single : A 97 ASN : amide:sc= -4.54! C(o=-4.5!,f=-9.3!) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -1.08 X(o=-1.1,f=-0.6) USER MOD Single : A 108 SER OG : rot 180:sc= 0.28 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot 98:sc= -0.73 USER MOD Single : A 120 LYS NZ :NH3+ 142:sc= 1.28 (180deg=-0.6) USER MOD Single : A 125 GLN : amide:sc= -1.32 K(o=-1.3,f=-6.1!) USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 NAG O3 : rot 180:sc= 0 USER MOD Single : A 135 NAG O4 : rot 170:sc= 0 USER MOD Single : A 135 NAG O6 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 29 -9.326 -7.229 -0.102 1.00 0.00 N ATOM 2 CA GLY A 29 -9.575 -8.696 -0.015 1.00 0.00 C ATOM 3 C GLY A 29 -8.606 -9.309 0.989 1.00 0.00 C ATOM 4 O GLY A 29 -8.955 -10.239 1.719 1.00 0.00 O ATOM 0 HA2 GLY A 29 -10.604 -8.885 0.292 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.444 -9.158 -0.994 1.00 0.00 H new ATOM 10 N LEU A 30 -7.389 -8.777 1.020 1.00 0.00 N ATOM 11 CA LEU A 30 -6.363 -9.269 1.940 1.00 0.00 C ATOM 12 C LEU A 30 -6.410 -10.789 2.047 1.00 0.00 C ATOM 13 O LEU A 30 -6.725 -11.336 3.100 1.00 0.00 O ATOM 14 CB LEU A 30 -6.561 -8.652 3.327 1.00 0.00 C ATOM 15 CG LEU A 30 -5.207 -8.511 4.029 1.00 0.00 C ATOM 16 CD1 LEU A 30 -5.380 -7.694 5.311 1.00 0.00 C ATOM 17 CD2 LEU A 30 -4.661 -9.896 4.385 1.00 0.00 C ATOM 0 H LEU A 30 -7.087 -8.008 0.422 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.389 -8.977 1.547 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.038 -7.676 3.236 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.226 -9.278 3.922 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.509 -8.006 3.361 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.417 -7.593 5.811 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.765 -6.705 5.063 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.082 -8.201 5.974 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.698 -9.790 4.884 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.360 -10.403 5.050 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.536 -10.483 3.475 1.00 0.00 H new ATOM 29 N PRO A 31 -6.099 -11.476 0.982 1.00 0.00 N ATOM 30 CA PRO A 31 -6.100 -12.959 0.954 1.00 0.00 C ATOM 31 C PRO A 31 -4.809 -13.542 1.517 1.00 0.00 C ATOM 32 O PRO A 31 -4.764 -13.982 2.666 1.00 0.00 O ATOM 33 CB PRO A 31 -6.255 -13.297 -0.530 1.00 0.00 C ATOM 34 CG PRO A 31 -5.805 -12.086 -1.294 1.00 0.00 C ATOM 35 CD PRO A 31 -5.712 -10.909 -0.315 1.00 0.00 C ATOM 0 HA PRO A 31 -6.893 -13.380 1.572 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.654 -14.167 -0.794 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -7.291 -13.541 -0.766 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -4.837 -12.269 -1.761 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -6.508 -11.859 -2.095 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -4.703 -10.499 -0.283 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -6.377 -10.097 -0.607 1.00 0.00 H new ATOM 43 N PHE A 32 -3.756 -13.531 0.708 1.00 0.00 N ATOM 44 CA PHE A 32 -2.472 -14.054 1.150 1.00 0.00 C ATOM 45 C PHE A 32 -1.788 -13.031 2.052 1.00 0.00 C ATOM 46 O PHE A 32 -0.855 -13.355 2.785 1.00 0.00 O ATOM 47 CB PHE A 32 -1.597 -14.370 -0.064 1.00 0.00 C ATOM 48 CG PHE A 32 -2.262 -15.453 -0.883 1.00 0.00 C ATOM 49 CD1 PHE A 32 -2.167 -16.790 -0.483 1.00 0.00 C ATOM 50 CD2 PHE A 32 -2.987 -15.119 -2.037 1.00 0.00 C ATOM 51 CE1 PHE A 32 -2.792 -17.794 -1.232 1.00 0.00 C ATOM 52 CE2 PHE A 32 -3.615 -16.123 -2.785 1.00 0.00 C ATOM 53 CZ PHE A 32 -3.516 -17.461 -2.383 1.00 0.00 C ATOM 0 H PHE A 32 -3.766 -13.170 -0.246 1.00 0.00 H new ATOM 0 HA PHE A 32 -2.626 -14.973 1.715 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -1.455 -13.474 -0.669 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.608 -14.696 0.259 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.610 -17.048 0.406 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.061 -14.088 -2.349 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -2.716 -18.826 -0.922 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -4.175 -15.865 -3.672 1.00 0.00 H new ATOM 0 HZ PHE A 32 -3.998 -18.236 -2.961 1.00 0.00 H new ATOM 63 N GLY A 33 -2.291 -11.798 2.003 1.00 0.00 N ATOM 64 CA GLY A 33 -1.759 -10.715 2.826 1.00 0.00 C ATOM 65 C GLY A 33 -0.330 -10.376 2.437 1.00 0.00 C ATOM 66 O GLY A 33 -0.018 -9.230 2.110 1.00 0.00 O ATOM 0 H GLY A 33 -3.068 -11.525 1.401 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.387 -9.831 2.717 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.793 -11.003 3.877 1.00 0.00 H new ATOM 70 N LEU A 34 0.535 -11.378 2.468 1.00 0.00 N ATOM 71 CA LEU A 34 1.928 -11.182 2.110 1.00 0.00 C ATOM 72 C LEU A 34 2.082 -11.213 0.597 1.00 0.00 C ATOM 73 O LEU A 34 1.404 -11.978 -0.089 1.00 0.00 O ATOM 74 CB LEU A 34 2.788 -12.280 2.733 1.00 0.00 C ATOM 75 CG LEU A 34 4.258 -12.033 2.393 1.00 0.00 C ATOM 76 CD1 LEU A 34 4.802 -10.900 3.264 1.00 0.00 C ATOM 77 CD2 LEU A 34 5.058 -13.311 2.657 1.00 0.00 C ATOM 0 H LEU A 34 0.296 -12.332 2.737 1.00 0.00 H new ATOM 0 HA LEU A 34 2.255 -10.213 2.487 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.651 -12.294 3.814 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.477 -13.256 2.360 1.00 0.00 H new ATOM 0 HG LEU A 34 4.348 -11.755 1.343 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.850 -10.725 3.021 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.230 -9.991 3.078 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.715 -11.175 4.315 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.107 -13.140 2.416 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.967 -13.586 3.708 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.670 -14.118 2.036 1.00 0.00 H new ATOM 89 N MET A 35 2.965 -10.375 0.078 1.00 0.00 N ATOM 90 CA MET A 35 3.186 -10.321 -1.358 1.00 0.00 C ATOM 91 C MET A 35 1.918 -9.935 -2.098 1.00 0.00 C ATOM 92 O MET A 35 0.901 -10.623 -2.023 1.00 0.00 O ATOM 93 CB MET A 35 3.662 -11.678 -1.871 1.00 0.00 C ATOM 94 CG MET A 35 5.179 -11.655 -2.013 1.00 0.00 C ATOM 95 SD MET A 35 5.789 -13.340 -2.235 1.00 0.00 S ATOM 96 CE MET A 35 7.487 -12.889 -2.656 1.00 0.00 C ATOM 0 H MET A 35 3.535 -9.729 0.623 1.00 0.00 H new ATOM 0 HA MET A 35 3.948 -9.564 -1.543 1.00 0.00 H new ATOM 0 HB2 MET A 35 3.361 -12.467 -1.182 1.00 0.00 H new ATOM 0 HB3 MET A 35 3.198 -11.900 -2.832 1.00 0.00 H new ATOM 0 HG2 MET A 35 5.466 -11.038 -2.865 1.00 0.00 H new ATOM 0 HG3 MET A 35 5.631 -11.207 -1.128 1.00 0.00 H new ATOM 0 HE1 MET A 35 8.173 -13.625 -2.237 1.00 0.00 H new ATOM 0 HE2 MET A 35 7.599 -12.864 -3.740 1.00 0.00 H new ATOM 0 HE3 MET A 35 7.715 -11.905 -2.245 1.00 0.00 H new ATOM 106 N ARG A 36 2.004 -8.836 -2.825 1.00 0.00 N ATOM 107 CA ARG A 36 0.887 -8.348 -3.607 1.00 0.00 C ATOM 108 C ARG A 36 0.919 -8.986 -4.988 1.00 0.00 C ATOM 109 O ARG A 36 1.987 -9.362 -5.471 1.00 0.00 O ATOM 110 CB ARG A 36 1.004 -6.837 -3.723 1.00 0.00 C ATOM 111 CG ARG A 36 0.998 -6.235 -2.322 1.00 0.00 C ATOM 112 CD ARG A 36 1.437 -4.776 -2.401 1.00 0.00 C ATOM 113 NE ARG A 36 1.449 -4.175 -1.077 1.00 0.00 N ATOM 114 CZ ARG A 36 0.340 -4.059 -0.356 1.00 0.00 C ATOM 115 NH1 ARG A 36 -0.802 -4.486 -0.825 1.00 0.00 N ATOM 116 NH2 ARG A 36 0.393 -3.514 0.826 1.00 0.00 N ATOM 0 H ARG A 36 2.844 -8.261 -2.889 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.056 -8.606 -3.125 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.922 -6.569 -4.245 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.176 -6.438 -4.309 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.001 -6.304 -1.888 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.669 -6.794 -1.670 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.431 -4.713 -2.844 1.00 0.00 H new ATOM 0 HD3 ARG A 36 0.761 -4.222 -3.052 1.00 0.00 H new ATOM 0 HE ARG A 36 2.330 -3.834 -0.693 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -0.846 -4.912 -1.751 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -1.650 -4.394 -0.265 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.283 -3.179 1.194 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.456 -3.422 1.384 1.00 0.00 H new ATOM 130 N ARG A 37 -0.237 -9.118 -5.625 1.00 0.00 N ATOM 131 CA ARG A 37 -0.269 -9.726 -6.948 1.00 0.00 C ATOM 132 C ARG A 37 -1.345 -9.132 -7.837 1.00 0.00 C ATOM 133 O ARG A 37 -2.482 -8.924 -7.414 1.00 0.00 O ATOM 134 CB ARG A 37 -0.507 -11.227 -6.844 1.00 0.00 C ATOM 135 CG ARG A 37 -0.479 -11.829 -8.246 1.00 0.00 C ATOM 136 CD ARG A 37 -0.426 -13.352 -8.147 1.00 0.00 C ATOM 137 NE ARG A 37 -1.691 -13.874 -7.647 1.00 0.00 N ATOM 138 CZ ARG A 37 -1.927 -15.179 -7.614 1.00 0.00 C ATOM 139 NH1 ARG A 37 -1.008 -16.017 -8.008 1.00 0.00 N ATOM 140 NH2 ARG A 37 -3.074 -15.626 -7.180 1.00 0.00 N ATOM 0 H ARG A 37 -1.142 -8.821 -5.260 1.00 0.00 H new ATOM 0 HA ARG A 37 0.703 -9.523 -7.398 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.259 -11.688 -6.220 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.467 -11.425 -6.368 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.364 -11.521 -8.803 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.387 -11.459 -8.794 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.211 -13.779 -9.127 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.386 -13.651 -7.484 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.406 -13.226 -7.317 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.109 -15.669 -8.341 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.188 -17.021 -7.983 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -3.790 -14.972 -6.866 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -3.254 -16.630 -7.155 1.00 0.00 H new ATOM 154 N GLU A 38 -0.978 -8.899 -9.089 1.00 0.00 N ATOM 155 CA GLU A 38 -1.917 -8.366 -10.062 1.00 0.00 C ATOM 156 C GLU A 38 -1.803 -9.113 -11.379 1.00 0.00 C ATOM 157 O GLU A 38 -0.716 -9.519 -11.793 1.00 0.00 O ATOM 158 CB GLU A 38 -1.676 -6.880 -10.309 1.00 0.00 C ATOM 159 CG GLU A 38 -2.162 -6.067 -9.111 1.00 0.00 C ATOM 160 CD GLU A 38 -2.537 -4.662 -9.566 1.00 0.00 C ATOM 161 OE1 GLU A 38 -2.939 -4.518 -10.709 1.00 0.00 O ATOM 162 OE2 GLU A 38 -2.423 -3.751 -8.764 1.00 0.00 O ATOM 0 H GLU A 38 -0.041 -9.070 -9.453 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.918 -8.497 -9.652 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.614 -6.698 -10.476 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.200 -6.563 -11.211 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.023 -6.554 -8.653 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.382 -6.018 -8.351 1.00 0.00 H new ATOM 169 N LEU A 39 -2.938 -9.275 -12.036 1.00 0.00 N ATOM 170 CA LEU A 39 -2.988 -9.955 -13.315 1.00 0.00 C ATOM 171 C LEU A 39 -3.928 -9.189 -14.242 1.00 0.00 C ATOM 172 O LEU A 39 -4.992 -8.739 -13.816 1.00 0.00 O ATOM 173 CB LEU A 39 -3.489 -11.391 -13.117 1.00 0.00 C ATOM 174 CG LEU A 39 -3.166 -12.240 -14.351 1.00 0.00 C ATOM 175 CD1 LEU A 39 -3.196 -13.721 -13.968 1.00 0.00 C ATOM 176 CD2 LEU A 39 -4.199 -11.985 -15.453 1.00 0.00 C ATOM 0 H LEU A 39 -3.842 -8.942 -11.701 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.993 -9.993 -13.758 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.023 -11.828 -12.234 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.565 -11.387 -12.941 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.176 -11.969 -14.719 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.967 -14.328 -14.844 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.456 -13.911 -13.191 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.187 -13.981 -13.596 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.959 -12.594 -16.325 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.192 -12.248 -15.089 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.182 -10.931 -15.731 1.00 0.00 H new ATOM 188 N ALA A 40 -3.540 -9.028 -15.500 1.00 0.00 N ATOM 189 CA ALA A 40 -4.377 -8.301 -16.445 1.00 0.00 C ATOM 190 C ALA A 40 -4.452 -9.048 -17.766 1.00 0.00 C ATOM 191 O ALA A 40 -3.460 -9.606 -18.236 1.00 0.00 O ATOM 192 CB ALA A 40 -3.813 -6.895 -16.684 1.00 0.00 C ATOM 0 H ALA A 40 -2.666 -9.384 -15.886 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.378 -8.218 -16.023 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.449 -6.364 -17.392 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.785 -6.349 -15.741 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.804 -6.972 -17.089 1.00 0.00 H new ATOM 198 N CYS A 41 -5.641 -9.077 -18.350 1.00 0.00 N ATOM 199 CA CYS A 41 -5.848 -9.787 -19.603 1.00 0.00 C ATOM 200 C CYS A 41 -5.036 -9.163 -20.734 1.00 0.00 C ATOM 201 O CYS A 41 -4.913 -7.942 -20.824 1.00 0.00 O ATOM 202 CB CYS A 41 -7.335 -9.753 -19.957 1.00 0.00 C ATOM 203 SG CYS A 41 -8.281 -10.634 -18.689 1.00 0.00 S ATOM 0 H CYS A 41 -6.473 -8.619 -17.978 1.00 0.00 H new ATOM 0 HA CYS A 41 -5.514 -10.817 -19.478 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.678 -8.721 -20.030 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.498 -10.213 -20.932 1.00 0.00 H new ATOM 208 N GLU A 42 -4.473 -10.019 -21.588 1.00 0.00 N ATOM 209 CA GLU A 42 -3.666 -9.551 -22.712 1.00 0.00 C ATOM 210 C GLU A 42 -4.341 -8.405 -23.454 1.00 0.00 C ATOM 211 O GLU A 42 -5.494 -8.511 -23.865 1.00 0.00 O ATOM 212 CB GLU A 42 -3.431 -10.691 -23.707 1.00 0.00 C ATOM 213 CG GLU A 42 -2.648 -10.163 -24.915 1.00 0.00 C ATOM 214 CD GLU A 42 -2.481 -11.257 -25.962 1.00 0.00 C ATOM 215 OE1 GLU A 42 -3.097 -12.297 -25.808 1.00 0.00 O ATOM 216 OE2 GLU A 42 -1.748 -11.033 -26.913 1.00 0.00 O ATOM 0 H GLU A 42 -4.561 -11.033 -21.523 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.720 -9.200 -22.299 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.878 -11.499 -23.227 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.385 -11.107 -24.032 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.171 -9.311 -25.351 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.669 -9.806 -24.594 1.00 0.00 H new ATOM 223 N GLY A 43 -3.594 -7.330 -23.668 1.00 0.00 N ATOM 224 CA GLY A 43 -4.105 -6.189 -24.414 1.00 0.00 C ATOM 225 C GLY A 43 -4.717 -5.109 -23.536 1.00 0.00 C ATOM 226 O GLY A 43 -4.958 -3.998 -24.011 1.00 0.00 O ATOM 0 H GLY A 43 -2.635 -7.225 -23.337 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.293 -5.754 -24.997 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -4.856 -6.537 -25.123 1.00 0.00 H new ATOM 230 N TYR A 44 -4.960 -5.397 -22.263 1.00 0.00 N ATOM 231 CA TYR A 44 -5.529 -4.390 -21.378 1.00 0.00 C ATOM 232 C TYR A 44 -4.436 -3.844 -20.462 1.00 0.00 C ATOM 233 O TYR A 44 -3.446 -4.529 -20.202 1.00 0.00 O ATOM 234 CB TYR A 44 -6.638 -5.013 -20.531 1.00 0.00 C ATOM 235 CG TYR A 44 -7.926 -5.089 -21.317 1.00 0.00 C ATOM 236 CD1 TYR A 44 -8.176 -6.172 -22.171 1.00 0.00 C ATOM 237 CD2 TYR A 44 -8.886 -4.079 -21.173 1.00 0.00 C ATOM 238 CE1 TYR A 44 -9.384 -6.244 -22.876 1.00 0.00 C ATOM 239 CE2 TYR A 44 -10.090 -4.150 -21.881 1.00 0.00 C ATOM 240 CZ TYR A 44 -10.341 -5.232 -22.730 1.00 0.00 C ATOM 241 OH TYR A 44 -11.533 -5.306 -23.416 1.00 0.00 O ATOM 0 H TYR A 44 -4.776 -6.301 -21.827 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.945 -3.579 -21.976 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.341 -6.012 -20.211 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.790 -4.421 -19.629 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.437 -6.951 -22.285 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.696 -3.244 -20.514 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -9.577 -7.080 -23.532 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -10.827 -3.368 -21.772 1.00 0.00 H new ATOM 0 HH TYR A 44 -12.083 -4.524 -23.201 1.00 0.00 H new ATOM 251 N PRO A 45 -4.583 -2.648 -19.961 1.00 0.00 N ATOM 252 CA PRO A 45 -3.571 -2.053 -19.050 1.00 0.00 C ATOM 253 C PRO A 45 -3.642 -2.630 -17.638 1.00 0.00 C ATOM 254 O PRO A 45 -4.694 -3.091 -17.194 1.00 0.00 O ATOM 255 CB PRO A 45 -3.889 -0.558 -19.071 1.00 0.00 C ATOM 256 CG PRO A 45 -5.326 -0.442 -19.475 1.00 0.00 C ATOM 257 CD PRO A 45 -5.713 -1.736 -20.202 1.00 0.00 C ATOM 0 HA PRO A 45 -2.553 -2.270 -19.374 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -3.723 -0.111 -18.091 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -3.243 -0.033 -19.775 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -5.958 -0.291 -18.600 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.472 0.420 -20.126 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -6.644 -2.147 -19.812 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.863 -1.563 -21.268 1.00 0.00 H new ATOM 265 N ILE A 46 -2.509 -2.599 -16.935 1.00 0.00 N ATOM 266 CA ILE A 46 -2.439 -3.117 -15.571 1.00 0.00 C ATOM 267 C ILE A 46 -1.903 -2.032 -14.641 1.00 0.00 C ATOM 268 O ILE A 46 -1.049 -1.236 -15.032 1.00 0.00 O ATOM 269 CB ILE A 46 -1.518 -4.339 -15.519 1.00 0.00 C ATOM 270 CG1 ILE A 46 -1.691 -5.065 -14.180 1.00 0.00 C ATOM 271 CG2 ILE A 46 -0.068 -3.878 -15.659 1.00 0.00 C ATOM 272 CD1 ILE A 46 -0.780 -6.297 -14.138 1.00 0.00 C ATOM 0 H ILE A 46 -1.630 -2.221 -17.288 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.438 -3.412 -15.250 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.773 -5.019 -16.332 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.448 -4.393 -13.357 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.731 -5.365 -14.050 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.594 -4.743 -15.623 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.060 -3.363 -16.611 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.178 -3.198 -14.843 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.906 -6.810 -13.185 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.044 -6.973 -14.952 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.259 -5.985 -14.248 1.00 0.00 H new ATOM 284 N GLU A 47 -2.430 -1.985 -13.424 1.00 0.00 N ATOM 285 CA GLU A 47 -2.008 -0.962 -12.471 1.00 0.00 C ATOM 286 C GLU A 47 -1.565 -1.562 -11.142 1.00 0.00 C ATOM 287 O GLU A 47 -2.274 -2.367 -10.540 1.00 0.00 O ATOM 288 CB GLU A 47 -3.159 0.013 -12.226 1.00 0.00 C ATOM 289 CG GLU A 47 -2.659 1.203 -11.405 1.00 0.00 C ATOM 290 CD GLU A 47 -3.824 2.128 -11.074 1.00 0.00 C ATOM 291 OE1 GLU A 47 -4.952 1.746 -11.342 1.00 0.00 O ATOM 292 OE2 GLU A 47 -3.572 3.206 -10.561 1.00 0.00 O ATOM 0 H GLU A 47 -3.139 -2.631 -13.076 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.153 -0.443 -12.903 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.564 0.359 -13.177 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.969 -0.491 -11.699 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.190 0.851 -10.486 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.898 1.748 -11.963 1.00 0.00 H new ATOM 299 N LEU A 48 -0.394 -1.136 -10.681 1.00 0.00 N ATOM 300 CA LEU A 48 0.139 -1.596 -9.406 1.00 0.00 C ATOM 301 C LEU A 48 0.194 -0.419 -8.443 1.00 0.00 C ATOM 302 O LEU A 48 0.487 0.704 -8.856 1.00 0.00 O ATOM 303 CB LEU A 48 1.534 -2.189 -9.604 1.00 0.00 C ATOM 304 CG LEU A 48 1.492 -3.203 -10.750 1.00 0.00 C ATOM 305 CD1 LEU A 48 2.914 -3.565 -11.174 1.00 0.00 C ATOM 306 CD2 LEU A 48 0.769 -4.474 -10.294 1.00 0.00 C ATOM 0 H LEU A 48 0.204 -0.472 -11.173 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.506 -2.372 -8.994 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.250 -1.398 -9.828 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.870 -2.673 -8.687 1.00 0.00 H new ATOM 0 HG LEU A 48 0.959 -2.760 -11.592 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.878 -4.287 -11.990 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.434 -2.667 -11.507 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.446 -4.000 -10.328 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.742 -5.192 -11.114 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.299 -4.910 -9.447 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.250 -4.226 -9.996 1.00 0.00 H new ATOM 318 N ARG A 49 -0.114 -0.652 -7.173 1.00 0.00 N ATOM 319 CA ARG A 49 -0.111 0.442 -6.211 1.00 0.00 C ATOM 320 C ARG A 49 0.285 -0.029 -4.826 1.00 0.00 C ATOM 321 O ARG A 49 -0.269 -0.995 -4.303 1.00 0.00 O ATOM 322 CB ARG A 49 -1.509 1.048 -6.141 1.00 0.00 C ATOM 323 CG ARG A 49 -1.871 1.662 -7.490 1.00 0.00 C ATOM 324 CD ARG A 49 -3.307 2.166 -7.440 1.00 0.00 C ATOM 325 NE ARG A 49 -3.349 3.604 -7.639 1.00 0.00 N ATOM 326 CZ ARG A 49 -4.503 4.248 -7.603 1.00 0.00 C ATOM 327 NH1 ARG A 49 -5.595 3.590 -7.336 1.00 0.00 N ATOM 328 NH2 ARG A 49 -4.545 5.534 -7.819 1.00 0.00 N ATOM 0 H ARG A 49 -0.363 -1.565 -6.792 1.00 0.00 H new ATOM 0 HA ARG A 49 0.619 1.180 -6.544 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.235 0.281 -5.873 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -1.547 1.809 -5.362 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.193 2.483 -7.724 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.760 0.921 -8.282 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.900 1.669 -8.208 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.754 1.913 -6.479 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.485 4.119 -7.807 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.555 2.587 -7.157 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -6.490 4.078 -7.306 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -3.685 6.046 -8.017 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.437 6.027 -7.790 1.00 0.00 H new ATOM 342 N CYS A 50 1.219 0.689 -4.215 1.00 0.00 N ATOM 343 CA CYS A 50 1.658 0.365 -2.872 1.00 0.00 C ATOM 344 C CYS A 50 0.991 1.309 -1.877 1.00 0.00 C ATOM 345 O CYS A 50 0.816 2.492 -2.164 1.00 0.00 O ATOM 346 CB CYS A 50 3.176 0.496 -2.771 1.00 0.00 C ATOM 347 SG CYS A 50 3.947 -1.054 -3.297 1.00 0.00 S ATOM 0 H CYS A 50 1.683 1.497 -4.630 1.00 0.00 H new ATOM 0 HA CYS A 50 1.377 -0.663 -2.642 1.00 0.00 H new ATOM 0 HB2 CYS A 50 3.524 1.319 -3.396 1.00 0.00 H new ATOM 0 HB3 CYS A 50 3.465 0.730 -1.746 1.00 0.00 H new ATOM 352 N PRO A 51 0.617 0.816 -0.730 1.00 0.00 N ATOM 353 CA PRO A 51 -0.048 1.643 0.310 1.00 0.00 C ATOM 354 C PRO A 51 0.902 2.658 0.933 1.00 0.00 C ATOM 355 O PRO A 51 2.120 2.512 0.858 1.00 0.00 O ATOM 356 CB PRO A 51 -0.519 0.629 1.352 1.00 0.00 C ATOM 357 CG PRO A 51 0.295 -0.608 1.137 1.00 0.00 C ATOM 358 CD PRO A 51 0.792 -0.582 -0.307 1.00 0.00 C ATOM 0 HA PRO A 51 -0.863 2.234 -0.107 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -0.378 1.016 2.361 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -1.582 0.419 1.236 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.135 -0.641 1.831 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.305 -1.499 1.320 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.836 -0.889 -0.373 1.00 0.00 H new ATOM 0 HD3 PRO A 51 0.219 -1.262 -0.937 1.00 0.00 H new ATOM 366 N GLY A 52 0.335 3.669 1.576 1.00 0.00 N ATOM 367 CA GLY A 52 1.132 4.686 2.245 1.00 0.00 C ATOM 368 C GLY A 52 2.236 5.240 1.348 1.00 0.00 C ATOM 369 O GLY A 52 2.030 5.522 0.165 1.00 0.00 O ATOM 0 H GLY A 52 -0.673 3.806 1.648 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.483 5.501 2.564 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.577 4.262 3.145 1.00 0.00 H new ATOM 373 N SER A 53 3.412 5.386 1.948 1.00 0.00 N ATOM 374 CA SER A 53 4.583 5.900 1.245 1.00 0.00 C ATOM 375 C SER A 53 5.517 4.769 0.845 1.00 0.00 C ATOM 376 O SER A 53 6.702 4.991 0.586 1.00 0.00 O ATOM 377 CB SER A 53 5.330 6.885 2.136 1.00 0.00 C ATOM 378 OG SER A 53 5.858 6.191 3.259 1.00 0.00 O ATOM 0 H SER A 53 3.581 5.154 2.927 1.00 0.00 H new ATOM 0 HA SER A 53 4.243 6.406 0.341 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.135 7.362 1.577 1.00 0.00 H new ATOM 0 HB3 SER A 53 4.658 7.677 2.466 1.00 0.00 H new ATOM 0 HG SER A 53 6.341 6.820 3.835 1.00 0.00 H new ATOM 384 N ASP A 54 4.979 3.559 0.776 1.00 0.00 N ATOM 385 CA ASP A 54 5.774 2.408 0.383 1.00 0.00 C ATOM 386 C ASP A 54 6.017 2.445 -1.117 1.00 0.00 C ATOM 387 O ASP A 54 5.340 3.173 -1.839 1.00 0.00 O ATOM 388 CB ASP A 54 5.031 1.118 0.730 1.00 0.00 C ATOM 389 CG ASP A 54 4.872 0.975 2.238 1.00 0.00 C ATOM 390 OD1 ASP A 54 5.723 1.471 2.959 1.00 0.00 O ATOM 391 OD2 ASP A 54 3.902 0.361 2.651 1.00 0.00 O ATOM 0 H ASP A 54 4.003 3.352 0.986 1.00 0.00 H new ATOM 0 HA ASP A 54 6.725 2.438 0.916 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.050 1.119 0.255 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.576 0.261 0.334 1.00 0.00 H new ATOM 396 N VAL A 55 6.966 1.652 -1.590 1.00 0.00 N ATOM 397 CA VAL A 55 7.249 1.616 -3.017 1.00 0.00 C ATOM 398 C VAL A 55 7.139 0.196 -3.554 1.00 0.00 C ATOM 399 O VAL A 55 7.499 -0.768 -2.876 1.00 0.00 O ATOM 400 CB VAL A 55 8.650 2.160 -3.301 1.00 0.00 C ATOM 401 CG1 VAL A 55 8.707 3.644 -2.939 1.00 0.00 C ATOM 402 CG2 VAL A 55 9.677 1.390 -2.469 1.00 0.00 C ATOM 0 H VAL A 55 7.544 1.035 -1.019 1.00 0.00 H new ATOM 0 HA VAL A 55 6.512 2.243 -3.519 1.00 0.00 H new ATOM 0 HB VAL A 55 8.877 2.038 -4.360 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.706 4.030 -3.142 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.978 4.192 -3.536 1.00 0.00 H new ATOM 0 HG13 VAL A 55 8.478 3.769 -1.881 1.00 0.00 H new ATOM 0 HG21 VAL A 55 10.675 1.779 -2.672 1.00 0.00 H new ATOM 0 HG22 VAL A 55 9.450 1.509 -1.410 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.639 0.333 -2.731 1.00 0.00 H new ATOM 412 N ILE A 56 6.644 0.087 -4.781 1.00 0.00 N ATOM 413 CA ILE A 56 6.484 -1.207 -5.427 1.00 0.00 C ATOM 414 C ILE A 56 7.840 -1.830 -5.729 1.00 0.00 C ATOM 415 O ILE A 56 8.732 -1.166 -6.256 1.00 0.00 O ATOM 416 CB ILE A 56 5.729 -1.042 -6.748 1.00 0.00 C ATOM 417 CG1 ILE A 56 4.348 -0.427 -6.500 1.00 0.00 C ATOM 418 CG2 ILE A 56 5.571 -2.405 -7.423 1.00 0.00 C ATOM 419 CD1 ILE A 56 3.645 -0.219 -7.844 1.00 0.00 C ATOM 0 H ILE A 56 6.347 0.881 -5.348 1.00 0.00 H new ATOM 0 HA ILE A 56 5.927 -1.853 -4.749 1.00 0.00 H new ATOM 0 HB ILE A 56 6.298 -0.377 -7.397 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.754 -1.081 -5.862 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.448 0.524 -5.977 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.033 -2.285 -8.363 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.555 -2.830 -7.620 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.012 -3.073 -6.768 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.661 0.219 -7.676 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.239 0.451 -8.465 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.534 -1.179 -8.349 1.00 0.00 H new ATOM 431 N MET A 57 7.981 -3.111 -5.428 1.00 0.00 N ATOM 432 CA MET A 57 9.226 -3.806 -5.714 1.00 0.00 C ATOM 433 C MET A 57 8.918 -5.107 -6.447 1.00 0.00 C ATOM 434 O MET A 57 8.508 -6.100 -5.849 1.00 0.00 O ATOM 435 CB MET A 57 10.020 -4.066 -4.426 1.00 0.00 C ATOM 436 CG MET A 57 9.563 -5.361 -3.756 1.00 0.00 C ATOM 437 SD MET A 57 10.140 -5.373 -2.038 1.00 0.00 S ATOM 438 CE MET A 57 11.829 -4.801 -2.355 1.00 0.00 C ATOM 0 H MET A 57 7.259 -3.685 -4.991 1.00 0.00 H new ATOM 0 HA MET A 57 9.848 -3.179 -6.353 1.00 0.00 H new ATOM 0 HB2 MET A 57 11.084 -4.126 -4.656 1.00 0.00 H new ATOM 0 HB3 MET A 57 9.889 -3.230 -3.738 1.00 0.00 H new ATOM 0 HG2 MET A 57 8.476 -5.438 -3.789 1.00 0.00 H new ATOM 0 HG3 MET A 57 9.960 -6.223 -4.292 1.00 0.00 H new ATOM 0 HE1 MET A 57 12.459 -5.034 -1.497 1.00 0.00 H new ATOM 0 HE2 MET A 57 12.222 -5.301 -3.240 1.00 0.00 H new ATOM 0 HE3 MET A 57 11.823 -3.723 -2.519 1.00 0.00 H new ATOM 448 N VAL A 58 9.096 -5.074 -7.761 1.00 0.00 N ATOM 449 CA VAL A 58 8.822 -6.243 -8.582 1.00 0.00 C ATOM 450 C VAL A 58 9.859 -7.334 -8.337 1.00 0.00 C ATOM 451 O VAL A 58 11.058 -7.105 -8.487 1.00 0.00 O ATOM 452 CB VAL A 58 8.818 -5.864 -10.062 1.00 0.00 C ATOM 453 CG1 VAL A 58 8.417 -7.080 -10.896 1.00 0.00 C ATOM 454 CG2 VAL A 58 7.811 -4.734 -10.303 1.00 0.00 C ATOM 0 H VAL A 58 9.426 -4.258 -8.276 1.00 0.00 H new ATOM 0 HA VAL A 58 7.839 -6.625 -8.305 1.00 0.00 H new ATOM 0 HB VAL A 58 9.815 -5.531 -10.351 1.00 0.00 H new ATOM 0 HG11 VAL A 58 8.414 -6.812 -11.952 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.130 -7.887 -10.729 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.421 -7.410 -10.602 1.00 0.00 H new ATOM 0 HG21 VAL A 58 7.811 -4.466 -11.360 1.00 0.00 H new ATOM 0 HG22 VAL A 58 6.814 -5.067 -10.013 1.00 0.00 H new ATOM 0 HG23 VAL A 58 8.091 -3.864 -9.708 1.00 0.00 H new ATOM 464 N GLU A 59 9.390 -8.525 -7.984 1.00 0.00 N ATOM 465 CA GLU A 59 10.283 -9.650 -7.750 1.00 0.00 C ATOM 466 C GLU A 59 10.166 -10.648 -8.899 1.00 0.00 C ATOM 467 O GLU A 59 11.169 -11.172 -9.380 1.00 0.00 O ATOM 468 CB GLU A 59 9.947 -10.340 -6.424 1.00 0.00 C ATOM 469 CG GLU A 59 10.300 -9.419 -5.252 1.00 0.00 C ATOM 470 CD GLU A 59 10.001 -10.123 -3.932 1.00 0.00 C ATOM 471 OE1 GLU A 59 9.293 -11.115 -3.962 1.00 0.00 O ATOM 472 OE2 GLU A 59 10.486 -9.661 -2.911 1.00 0.00 O ATOM 0 H GLU A 59 8.400 -8.735 -7.854 1.00 0.00 H new ATOM 0 HA GLU A 59 11.306 -9.278 -7.696 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.887 -10.591 -6.393 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.499 -11.276 -6.341 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.354 -9.145 -5.298 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.727 -8.494 -5.319 1.00 0.00 H new ATOM 479 N ASN A 60 8.930 -10.920 -9.318 1.00 0.00 N ATOM 480 CA ASN A 60 8.694 -11.876 -10.396 1.00 0.00 C ATOM 481 C ASN A 60 7.488 -11.458 -11.236 1.00 0.00 C ATOM 482 O ASN A 60 6.502 -10.940 -10.714 1.00 0.00 O ATOM 483 CB ASN A 60 8.425 -13.257 -9.797 1.00 0.00 C ATOM 484 CG ASN A 60 9.592 -13.684 -8.915 1.00 0.00 C ATOM 485 OD1 ASN A 60 10.751 -13.553 -9.306 1.00 0.00 O ATOM 486 ND2 ASN A 60 9.348 -14.186 -7.737 1.00 0.00 N ATOM 0 H ASN A 60 8.086 -10.497 -8.932 1.00 0.00 H new ATOM 0 HA ASN A 60 9.577 -11.904 -11.034 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.506 -13.235 -9.211 1.00 0.00 H new ATOM 0 HB3 ASN A 60 8.277 -13.985 -10.595 1.00 0.00 H new ATOM 0 HD21 ASN A 60 10.120 -14.472 -7.135 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.385 -14.293 -7.417 1.00 0.00 H new ATOM 493 N ALA A 61 7.578 -11.694 -12.540 1.00 0.00 N ATOM 494 CA ALA A 61 6.496 -11.347 -13.460 1.00 0.00 C ATOM 495 C ALA A 61 6.700 -12.075 -14.785 1.00 0.00 C ATOM 496 O ALA A 61 7.837 -12.338 -15.183 1.00 0.00 O ATOM 497 CB ALA A 61 6.477 -9.832 -13.698 1.00 0.00 C ATOM 0 H ALA A 61 8.388 -12.124 -12.986 1.00 0.00 H new ATOM 0 HA ALA A 61 5.544 -11.649 -13.024 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.668 -9.582 -14.384 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.321 -9.317 -12.750 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.428 -9.519 -14.129 1.00 0.00 H new ATOM 503 N ASN A 62 5.608 -12.405 -15.469 1.00 0.00 N ATOM 504 CA ASN A 62 5.716 -13.107 -16.742 1.00 0.00 C ATOM 505 C ASN A 62 4.576 -12.733 -17.676 1.00 0.00 C ATOM 506 O ASN A 62 3.480 -12.388 -17.234 1.00 0.00 O ATOM 507 CB ASN A 62 5.691 -14.616 -16.511 1.00 0.00 C ATOM 508 CG ASN A 62 6.064 -15.328 -17.803 1.00 0.00 C ATOM 509 OD1 ASN A 62 7.245 -15.557 -18.069 1.00 0.00 O ATOM 510 ND2 ASN A 62 5.122 -15.681 -18.631 1.00 0.00 N ATOM 0 H ASN A 62 4.654 -12.202 -15.169 1.00 0.00 H new ATOM 0 HA ASN A 62 6.659 -12.814 -17.203 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.389 -14.886 -15.719 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.700 -14.929 -16.183 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.360 -16.150 -19.505 1.00 0.00 H new ATOM 0 HD22 ASN A 62 4.146 -15.489 -18.405 1.00 0.00 H new ATOM 517 N TYR A 63 4.838 -12.817 -18.973 1.00 0.00 N ATOM 518 CA TYR A 63 3.827 -12.499 -19.968 1.00 0.00 C ATOM 519 C TYR A 63 3.585 -13.700 -20.870 1.00 0.00 C ATOM 520 O TYR A 63 4.509 -14.192 -21.519 1.00 0.00 O ATOM 521 CB TYR A 63 4.294 -11.316 -20.808 1.00 0.00 C ATOM 522 CG TYR A 63 3.302 -11.060 -21.910 1.00 0.00 C ATOM 523 CD1 TYR A 63 2.044 -10.533 -21.603 1.00 0.00 C ATOM 524 CD2 TYR A 63 3.641 -11.343 -23.237 1.00 0.00 C ATOM 525 CE1 TYR A 63 1.124 -10.285 -22.627 1.00 0.00 C ATOM 526 CE2 TYR A 63 2.721 -11.096 -24.261 1.00 0.00 C ATOM 527 CZ TYR A 63 1.462 -10.566 -23.956 1.00 0.00 C ATOM 528 OH TYR A 63 0.553 -10.319 -24.966 1.00 0.00 O ATOM 0 H TYR A 63 5.739 -13.102 -19.358 1.00 0.00 H new ATOM 0 HA TYR A 63 2.897 -12.243 -19.461 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.395 -10.429 -20.182 1.00 0.00 H new ATOM 0 HB3 TYR A 63 5.278 -11.522 -21.230 1.00 0.00 H new ATOM 0 HD1 TYR A 63 1.783 -10.318 -20.577 1.00 0.00 H new ATOM 0 HD2 TYR A 63 4.613 -11.752 -23.471 1.00 0.00 H new ATOM 0 HE1 TYR A 63 0.152 -9.876 -22.392 1.00 0.00 H new ATOM 0 HE2 TYR A 63 2.982 -11.314 -25.286 1.00 0.00 H new ATOM 0 HH TYR A 63 1.033 -10.100 -25.792 1.00 0.00 H new ATOM 538 N GLY A 64 2.353 -14.190 -20.889 1.00 0.00 N ATOM 539 CA GLY A 64 2.038 -15.356 -21.700 1.00 0.00 C ATOM 540 C GLY A 64 0.736 -15.998 -21.239 1.00 0.00 C ATOM 541 O GLY A 64 -0.260 -15.316 -21.009 1.00 0.00 O ATOM 0 H GLY A 64 1.569 -13.806 -20.362 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.955 -15.065 -22.747 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.850 -16.081 -21.634 1.00 0.00 H new ATOM 545 N ARG A 65 0.761 -17.321 -21.129 1.00 0.00 N ATOM 546 CA ARG A 65 -0.419 -18.068 -20.717 1.00 0.00 C ATOM 547 C ARG A 65 -0.049 -19.447 -20.189 1.00 0.00 C ATOM 548 O ARG A 65 0.526 -20.268 -20.900 1.00 0.00 O ATOM 549 CB ARG A 65 -1.390 -18.227 -21.890 1.00 0.00 C ATOM 550 CG ARG A 65 -2.403 -19.320 -21.547 1.00 0.00 C ATOM 551 CD ARG A 65 -3.745 -19.060 -22.244 1.00 0.00 C ATOM 552 NE ARG A 65 -4.732 -18.598 -21.268 1.00 0.00 N ATOM 553 CZ ARG A 65 -4.844 -17.313 -20.930 1.00 0.00 C ATOM 554 NH1 ARG A 65 -4.106 -16.412 -21.509 1.00 0.00 N ATOM 555 NH2 ARG A 65 -5.712 -16.956 -20.022 1.00 0.00 N ATOM 0 H ARG A 65 1.582 -17.896 -21.319 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.897 -17.502 -19.917 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -1.903 -17.285 -22.086 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -0.846 -18.488 -22.798 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.013 -20.291 -21.851 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.551 -19.359 -20.468 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.619 -18.313 -23.028 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.097 -19.972 -22.726 1.00 0.00 H new ATOM 0 HE ARG A 65 -5.353 -19.280 -20.833 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -3.436 -16.686 -22.227 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -4.198 -15.431 -21.245 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -6.301 -17.659 -19.575 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -5.801 -15.974 -19.760 1.00 0.00 H new ATOM 569 N THR A 66 -0.397 -19.692 -18.931 1.00 0.00 N ATOM 570 CA THR A 66 -0.118 -20.976 -18.306 1.00 0.00 C ATOM 571 C THR A 66 -1.407 -21.581 -17.752 1.00 0.00 C ATOM 572 O THR A 66 -1.386 -22.596 -17.058 1.00 0.00 O ATOM 573 CB THR A 66 0.919 -20.796 -17.191 1.00 0.00 C ATOM 574 OG1 THR A 66 0.312 -20.162 -16.074 1.00 0.00 O ATOM 575 CG2 THR A 66 2.072 -19.927 -17.703 1.00 0.00 C ATOM 0 H THR A 66 -0.871 -19.020 -18.327 1.00 0.00 H new ATOM 0 HA THR A 66 0.288 -21.659 -19.052 1.00 0.00 H new ATOM 0 HB THR A 66 1.301 -21.772 -16.891 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.305 -19.468 -16.387 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.810 -19.798 -16.911 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.540 -20.411 -18.560 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.688 -18.952 -18.003 1.00 0.00 H new ATOM 583 N ASP A 67 -2.531 -20.942 -18.082 1.00 0.00 N ATOM 584 CA ASP A 67 -3.846 -21.402 -17.636 1.00 0.00 C ATOM 585 C ASP A 67 -4.873 -21.149 -18.740 1.00 0.00 C ATOM 586 O ASP A 67 -4.731 -20.212 -19.526 1.00 0.00 O ATOM 587 CB ASP A 67 -4.256 -20.664 -16.356 1.00 0.00 C ATOM 588 CG ASP A 67 -5.482 -21.322 -15.729 1.00 0.00 C ATOM 589 OD1 ASP A 67 -5.740 -22.475 -16.038 1.00 0.00 O ATOM 590 OD2 ASP A 67 -6.146 -20.662 -14.946 1.00 0.00 O ATOM 0 H ASP A 67 -2.556 -20.101 -18.659 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.801 -22.470 -17.422 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -3.430 -20.670 -15.645 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.473 -19.620 -16.584 1.00 0.00 H new ATOM 595 N ASP A 68 -5.907 -21.983 -18.796 1.00 0.00 N ATOM 596 CA ASP A 68 -6.947 -21.826 -19.810 1.00 0.00 C ATOM 597 C ASP A 68 -8.208 -21.230 -19.194 1.00 0.00 C ATOM 598 O ASP A 68 -9.209 -21.022 -19.884 1.00 0.00 O ATOM 599 CB ASP A 68 -7.272 -23.184 -20.440 1.00 0.00 C ATOM 600 CG ASP A 68 -7.930 -24.097 -19.410 1.00 0.00 C ATOM 601 OD1 ASP A 68 -8.660 -23.588 -18.579 1.00 0.00 O ATOM 602 OD2 ASP A 68 -7.693 -25.292 -19.469 1.00 0.00 O ATOM 0 H ASP A 68 -6.048 -22.767 -18.159 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.579 -21.149 -20.581 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.936 -23.048 -21.293 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.360 -23.646 -20.817 1.00 0.00 H new ATOM 607 N LYS A 69 -8.160 -20.986 -17.890 1.00 0.00 N ATOM 608 CA LYS A 69 -9.318 -20.447 -17.185 1.00 0.00 C ATOM 609 C LYS A 69 -9.154 -18.968 -16.844 1.00 0.00 C ATOM 610 O LYS A 69 -9.949 -18.425 -16.077 1.00 0.00 O ATOM 611 CB LYS A 69 -9.542 -21.234 -15.897 1.00 0.00 C ATOM 612 CG LYS A 69 -9.682 -22.722 -16.228 1.00 0.00 C ATOM 613 CD LYS A 69 -10.235 -23.481 -15.019 1.00 0.00 C ATOM 614 CE LYS A 69 -9.250 -23.376 -13.855 1.00 0.00 C ATOM 615 NZ LYS A 69 -9.549 -22.147 -13.071 1.00 0.00 N ATOM 0 H LYS A 69 -7.342 -21.150 -17.304 1.00 0.00 H new ATOM 0 HA LYS A 69 -10.176 -20.542 -17.850 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.707 -21.079 -15.213 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -10.439 -20.877 -15.391 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -10.346 -22.851 -17.083 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.713 -23.132 -16.512 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.202 -23.069 -14.729 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.399 -24.527 -15.277 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.327 -24.257 -13.217 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.227 -23.343 -14.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.757 -21.479 -13.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.417 -21.705 -13.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -9.683 -22.397 -12.071 1.00 0.00 H new ATOM 629 N ILE A 70 -8.138 -18.306 -17.394 1.00 0.00 N ATOM 630 CA ILE A 70 -7.937 -16.891 -17.097 1.00 0.00 C ATOM 631 C ILE A 70 -8.307 -16.037 -18.297 1.00 0.00 C ATOM 632 O ILE A 70 -7.941 -16.349 -19.430 1.00 0.00 O ATOM 633 CB ILE A 70 -6.477 -16.613 -16.743 1.00 0.00 C ATOM 634 CG1 ILE A 70 -6.002 -17.590 -15.662 1.00 0.00 C ATOM 635 CG2 ILE A 70 -6.360 -15.179 -16.229 1.00 0.00 C ATOM 636 CD1 ILE A 70 -6.615 -17.218 -14.308 1.00 0.00 C ATOM 0 H ILE A 70 -7.456 -18.715 -18.033 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.576 -16.641 -16.250 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.855 -16.743 -17.629 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -6.286 -18.608 -15.931 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.914 -17.569 -15.595 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -5.322 -14.968 -15.973 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.690 -14.487 -17.003 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -6.984 -15.058 -15.344 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -6.270 -17.919 -13.548 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -6.309 -16.208 -14.035 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -7.702 -17.262 -14.376 1.00 0.00 H new ATOM 648 N CYS A 71 -9.039 -14.962 -18.044 1.00 0.00 N ATOM 649 CA CYS A 71 -9.450 -14.088 -19.126 1.00 0.00 C ATOM 650 C CYS A 71 -10.220 -14.895 -20.160 1.00 0.00 C ATOM 651 O CYS A 71 -9.749 -15.108 -21.278 1.00 0.00 O ATOM 652 CB CYS A 71 -8.219 -13.454 -19.771 1.00 0.00 C ATOM 653 SG CYS A 71 -7.360 -12.426 -18.554 1.00 0.00 S ATOM 0 H CYS A 71 -9.354 -14.680 -17.116 1.00 0.00 H new ATOM 0 HA CYS A 71 -10.091 -13.298 -18.734 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -7.550 -14.230 -20.144 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -8.515 -12.850 -20.628 1.00 0.00 H new ATOM 658 N ASP A 72 -11.397 -15.364 -19.766 1.00 0.00 N ATOM 659 CA ASP A 72 -12.219 -16.175 -20.652 1.00 0.00 C ATOM 660 C ASP A 72 -12.312 -15.564 -22.048 1.00 0.00 C ATOM 661 O ASP A 72 -13.178 -14.733 -22.322 1.00 0.00 O ATOM 662 CB ASP A 72 -13.620 -16.334 -20.065 1.00 0.00 C ATOM 663 CG ASP A 72 -14.319 -14.980 -20.003 1.00 0.00 C ATOM 664 OD1 ASP A 72 -13.673 -13.989 -20.293 1.00 0.00 O ATOM 665 OD2 ASP A 72 -15.494 -14.958 -19.671 1.00 0.00 O ATOM 0 H ASP A 72 -11.801 -15.198 -18.844 1.00 0.00 H new ATOM 0 HA ASP A 72 -11.745 -17.153 -20.742 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -14.202 -17.025 -20.675 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -13.557 -16.766 -19.066 1.00 0.00 H new ATOM 670 N ALA A 73 -11.426 -16.014 -22.931 1.00 0.00 N ATOM 671 CA ALA A 73 -11.411 -15.549 -24.313 1.00 0.00 C ATOM 672 C ALA A 73 -11.829 -16.701 -25.218 1.00 0.00 C ATOM 673 O ALA A 73 -12.415 -17.673 -24.742 1.00 0.00 O ATOM 674 CB ALA A 73 -10.009 -15.069 -24.697 1.00 0.00 C ATOM 0 H ALA A 73 -10.706 -16.703 -22.712 1.00 0.00 H new ATOM 0 HA ALA A 73 -12.103 -14.714 -24.426 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -10.013 -14.725 -25.731 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.713 -14.249 -24.043 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -9.301 -15.891 -24.591 1.00 0.00 H new ATOM 680 N ASP A 74 -11.549 -16.608 -26.515 1.00 0.00 N ATOM 681 CA ASP A 74 -11.931 -17.684 -27.420 1.00 0.00 C ATOM 682 C ASP A 74 -11.188 -18.980 -27.062 1.00 0.00 C ATOM 683 O ASP A 74 -10.014 -18.957 -26.690 1.00 0.00 O ATOM 684 CB ASP A 74 -11.653 -17.283 -28.873 1.00 0.00 C ATOM 685 CG ASP A 74 -10.367 -16.470 -28.970 1.00 0.00 C ATOM 686 OD1 ASP A 74 -9.820 -16.129 -27.934 1.00 0.00 O ATOM 687 OD2 ASP A 74 -9.950 -16.196 -30.083 1.00 0.00 O ATOM 0 H ASP A 74 -11.072 -15.820 -26.953 1.00 0.00 H new ATOM 0 HA ASP A 74 -13.000 -17.865 -27.312 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.572 -18.176 -29.493 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -12.488 -16.700 -29.261 1.00 0.00 H new ATOM 692 N PRO A 75 -11.861 -20.100 -27.139 1.00 0.00 N ATOM 693 CA PRO A 75 -11.264 -21.423 -26.788 1.00 0.00 C ATOM 694 C PRO A 75 -10.002 -21.751 -27.580 1.00 0.00 C ATOM 695 O PRO A 75 -9.050 -22.316 -27.040 1.00 0.00 O ATOM 696 CB PRO A 75 -12.361 -22.446 -27.105 1.00 0.00 C ATOM 697 CG PRO A 75 -13.461 -21.715 -27.804 1.00 0.00 C ATOM 698 CD PRO A 75 -13.260 -20.220 -27.568 1.00 0.00 C ATOM 0 HA PRO A 75 -10.951 -21.427 -25.744 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -11.970 -23.246 -27.734 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -12.729 -22.911 -26.190 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -13.448 -21.937 -28.871 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -14.432 -22.033 -27.424 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -13.447 -19.646 -28.476 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -13.942 -19.843 -26.806 1.00 0.00 H new ATOM 706 N PHE A 76 -10.002 -21.398 -28.858 1.00 0.00 N ATOM 707 CA PHE A 76 -8.857 -21.678 -29.714 1.00 0.00 C ATOM 708 C PHE A 76 -7.617 -20.962 -29.191 1.00 0.00 C ATOM 709 O PHE A 76 -6.508 -21.491 -29.266 1.00 0.00 O ATOM 710 CB PHE A 76 -9.149 -21.209 -31.143 1.00 0.00 C ATOM 711 CG PHE A 76 -10.519 -21.678 -31.597 1.00 0.00 C ATOM 712 CD1 PHE A 76 -11.176 -22.732 -30.942 1.00 0.00 C ATOM 713 CD2 PHE A 76 -11.136 -21.043 -32.684 1.00 0.00 C ATOM 714 CE1 PHE A 76 -12.445 -23.146 -31.379 1.00 0.00 C ATOM 715 CE2 PHE A 76 -12.403 -21.458 -33.118 1.00 0.00 C ATOM 716 CZ PHE A 76 -13.056 -22.510 -32.465 1.00 0.00 C ATOM 0 H PHE A 76 -10.775 -20.921 -29.322 1.00 0.00 H new ATOM 0 HA PHE A 76 -8.676 -22.753 -29.712 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.098 -20.121 -31.191 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -8.386 -21.594 -31.819 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -10.706 -23.224 -30.103 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -10.634 -20.231 -33.189 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -12.950 -23.957 -30.876 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -12.875 -20.966 -33.956 1.00 0.00 H new ATOM 0 HZ PHE A 76 -14.032 -22.831 -32.800 1.00 0.00 H new ATOM 726 N GLN A 77 -7.806 -19.759 -28.665 1.00 0.00 N ATOM 727 CA GLN A 77 -6.686 -18.986 -28.134 1.00 0.00 C ATOM 728 C GLN A 77 -6.421 -19.360 -26.677 1.00 0.00 C ATOM 729 O GLN A 77 -5.404 -18.974 -26.104 1.00 0.00 O ATOM 730 CB GLN A 77 -6.999 -17.493 -28.215 1.00 0.00 C ATOM 731 CG GLN A 77 -7.342 -17.118 -29.655 1.00 0.00 C ATOM 732 CD GLN A 77 -7.478 -15.604 -29.781 1.00 0.00 C ATOM 733 OE1 GLN A 77 -7.417 -14.860 -28.711 1.00 0.00 O flip ATOM 734 NE2 GLN A 77 -7.643 -15.087 -30.885 1.00 0.00 N flip ATOM 0 H GLN A 77 -8.714 -19.299 -28.594 1.00 0.00 H new ATOM 0 HA GLN A 77 -5.801 -19.211 -28.730 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -7.833 -17.250 -27.557 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -6.143 -16.913 -27.872 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -6.565 -17.479 -30.329 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -8.272 -17.601 -29.954 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -7.690 -15.671 -31.720 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -7.732 -14.074 -30.966 1.00 0.00 H new ATOM 743 N MET A 78 -7.351 -20.096 -26.078 1.00 0.00 N ATOM 744 CA MET A 78 -7.214 -20.499 -24.682 1.00 0.00 C ATOM 745 C MET A 78 -6.758 -21.958 -24.544 1.00 0.00 C ATOM 746 O MET A 78 -6.551 -22.437 -23.430 1.00 0.00 O ATOM 747 CB MET A 78 -8.553 -20.306 -23.963 1.00 0.00 C ATOM 748 CG MET A 78 -8.845 -18.809 -23.804 1.00 0.00 C ATOM 749 SD MET A 78 -7.778 -18.111 -22.521 1.00 0.00 S ATOM 750 CE MET A 78 -8.765 -18.642 -21.099 1.00 0.00 C ATOM 0 H MET A 78 -8.203 -20.424 -26.533 1.00 0.00 H new ATOM 0 HA MET A 78 -6.447 -19.872 -24.228 1.00 0.00 H new ATOM 0 HB2 MET A 78 -9.353 -20.784 -24.529 1.00 0.00 H new ATOM 0 HB3 MET A 78 -8.524 -20.786 -22.985 1.00 0.00 H new ATOM 0 HG2 MET A 78 -8.677 -18.294 -24.750 1.00 0.00 H new ATOM 0 HG3 MET A 78 -9.892 -18.659 -23.541 1.00 0.00 H new ATOM 0 HE1 MET A 78 -8.102 -18.913 -20.277 1.00 0.00 H new ATOM 0 HE2 MET A 78 -9.419 -17.828 -20.785 1.00 0.00 H new ATOM 0 HE3 MET A 78 -9.369 -19.506 -21.377 1.00 0.00 H new ATOM 760 N GLU A 79 -6.614 -22.665 -25.667 1.00 0.00 N ATOM 761 CA GLU A 79 -6.194 -24.073 -25.613 1.00 0.00 C ATOM 762 C GLU A 79 -4.766 -24.243 -25.097 1.00 0.00 C ATOM 763 O GLU A 79 -4.511 -25.131 -24.278 1.00 0.00 O ATOM 764 CB GLU A 79 -6.317 -24.744 -26.988 1.00 0.00 C ATOM 765 CG GLU A 79 -7.761 -25.192 -27.220 1.00 0.00 C ATOM 766 CD GLU A 79 -7.843 -26.071 -28.466 1.00 0.00 C ATOM 767 OE1 GLU A 79 -7.099 -25.816 -29.400 1.00 0.00 O ATOM 768 OE2 GLU A 79 -8.645 -26.989 -28.464 1.00 0.00 O ATOM 0 H GLU A 79 -6.777 -22.300 -26.605 1.00 0.00 H new ATOM 0 HA GLU A 79 -6.869 -24.558 -24.908 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -6.012 -24.049 -27.770 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.647 -25.602 -27.045 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -8.123 -25.743 -26.352 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.406 -24.321 -27.336 1.00 0.00 H new ATOM 775 N ASN A 80 -3.826 -23.432 -25.571 1.00 0.00 N ATOM 776 CA ASN A 80 -2.440 -23.566 -25.129 1.00 0.00 C ATOM 777 C ASN A 80 -2.216 -22.943 -23.756 1.00 0.00 C ATOM 778 O ASN A 80 -2.319 -21.730 -23.580 1.00 0.00 O ATOM 779 CB ASN A 80 -1.508 -22.900 -26.144 1.00 0.00 C ATOM 780 CG ASN A 80 -0.053 -23.168 -25.776 1.00 0.00 C ATOM 781 OD1 ASN A 80 0.379 -24.319 -25.752 1.00 0.00 O ATOM 782 ND2 ASN A 80 0.732 -22.167 -25.486 1.00 0.00 N ATOM 0 H ASN A 80 -3.992 -22.688 -26.249 1.00 0.00 H new ATOM 0 HA ASN A 80 -2.221 -24.631 -25.055 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -1.714 -23.282 -27.144 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -1.693 -21.826 -26.169 1.00 0.00 H new ATOM 0 HD21 ASN A 80 1.707 -22.338 -25.239 1.00 0.00 H new ATOM 0 HD22 ASN A 80 0.371 -21.213 -25.507 1.00 0.00 H new ATOM 789 N VAL A 81 -1.906 -23.799 -22.791 1.00 0.00 N ATOM 790 CA VAL A 81 -1.656 -23.355 -21.425 1.00 0.00 C ATOM 791 C VAL A 81 -0.164 -23.408 -21.120 1.00 0.00 C ATOM 792 O VAL A 81 0.239 -23.678 -19.990 1.00 0.00 O ATOM 793 CB VAL A 81 -2.417 -24.240 -20.440 1.00 0.00 C ATOM 794 CG1 VAL A 81 -3.918 -24.107 -20.701 1.00 0.00 C ATOM 795 CG2 VAL A 81 -1.994 -25.699 -20.632 1.00 0.00 C ATOM 0 H VAL A 81 -1.821 -24.806 -22.929 1.00 0.00 H new ATOM 0 HA VAL A 81 -2.002 -22.327 -21.322 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.193 -23.929 -19.420 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.466 -24.737 -20.000 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.220 -23.068 -20.568 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.139 -24.421 -21.721 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.537 -26.331 -19.929 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.220 -26.012 -21.651 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.923 -25.794 -20.453 1.00 0.00 H new ATOM 805 N GLN A 82 0.650 -23.155 -22.145 1.00 0.00 N ATOM 806 CA GLN A 82 2.100 -23.187 -21.987 1.00 0.00 C ATOM 807 C GLN A 82 2.772 -22.086 -22.805 1.00 0.00 C ATOM 808 O GLN A 82 3.213 -22.322 -23.930 1.00 0.00 O ATOM 809 CB GLN A 82 2.640 -24.541 -22.439 1.00 0.00 C ATOM 810 CG GLN A 82 2.059 -25.642 -21.558 1.00 0.00 C ATOM 811 CD GLN A 82 2.650 -25.550 -20.157 1.00 0.00 C ATOM 812 OE1 GLN A 82 3.573 -26.395 -19.792 1.00 0.00 O flip ATOM 813 NE2 GLN A 82 2.262 -24.682 -19.376 1.00 0.00 N flip ATOM 0 H GLN A 82 0.331 -22.927 -23.087 1.00 0.00 H new ATOM 0 HA GLN A 82 2.324 -23.025 -20.933 1.00 0.00 H new ATOM 0 HB2 GLN A 82 2.378 -24.719 -23.482 1.00 0.00 H new ATOM 0 HB3 GLN A 82 3.728 -24.549 -22.378 1.00 0.00 H new ATOM 0 HG2 GLN A 82 0.974 -25.548 -21.511 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.276 -26.619 -21.990 1.00 0.00 H new ATOM 0 HE21 GLN A 82 1.540 -24.022 -19.665 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.663 -24.622 -18.440 1.00 0.00 H new ATOM 822 N CYS A 83 2.873 -20.895 -22.226 1.00 0.00 N ATOM 823 CA CYS A 83 3.523 -19.771 -22.899 1.00 0.00 C ATOM 824 C CYS A 83 4.277 -18.943 -21.862 1.00 0.00 C ATOM 825 O CYS A 83 3.701 -18.537 -20.853 1.00 0.00 O ATOM 826 CB CYS A 83 2.474 -18.912 -23.618 1.00 0.00 C ATOM 827 SG CYS A 83 3.301 -17.729 -24.710 1.00 0.00 S ATOM 0 H CYS A 83 2.515 -20.681 -21.295 1.00 0.00 H new ATOM 0 HA CYS A 83 4.227 -20.141 -23.644 1.00 0.00 H new ATOM 0 HB2 CYS A 83 1.803 -19.548 -24.196 1.00 0.00 H new ATOM 0 HB3 CYS A 83 1.862 -18.382 -22.889 1.00 0.00 H new ATOM 832 N TYR A 84 5.574 -18.718 -22.087 1.00 0.00 N ATOM 833 CA TYR A 84 6.379 -17.965 -21.120 1.00 0.00 C ATOM 834 C TYR A 84 7.293 -16.926 -21.781 1.00 0.00 C ATOM 835 O TYR A 84 7.772 -17.120 -22.899 1.00 0.00 O ATOM 836 CB TYR A 84 7.257 -18.933 -20.328 1.00 0.00 C ATOM 837 CG TYR A 84 6.403 -19.893 -19.533 1.00 0.00 C ATOM 838 CD1 TYR A 84 6.003 -21.109 -20.102 1.00 0.00 C ATOM 839 CD2 TYR A 84 6.034 -19.578 -18.222 1.00 0.00 C ATOM 840 CE1 TYR A 84 5.230 -22.008 -19.357 1.00 0.00 C ATOM 841 CE2 TYR A 84 5.266 -20.478 -17.475 1.00 0.00 C ATOM 842 CZ TYR A 84 4.863 -21.694 -18.044 1.00 0.00 C ATOM 843 OH TYR A 84 4.108 -22.583 -17.308 1.00 0.00 O ATOM 0 H TYR A 84 6.081 -19.038 -22.912 1.00 0.00 H new ATOM 0 HA TYR A 84 5.678 -17.436 -20.475 1.00 0.00 H new ATOM 0 HB2 TYR A 84 7.902 -19.489 -21.009 1.00 0.00 H new ATOM 0 HB3 TYR A 84 7.909 -18.375 -19.656 1.00 0.00 H new ATOM 0 HD1 TYR A 84 6.290 -21.353 -21.114 1.00 0.00 H new ATOM 0 HD2 TYR A 84 6.342 -18.639 -17.785 1.00 0.00 H new ATOM 0 HE1 TYR A 84 4.917 -22.944 -19.796 1.00 0.00 H new ATOM 0 HE2 TYR A 84 4.984 -20.236 -16.461 1.00 0.00 H new ATOM 0 HH TYR A 84 3.942 -22.211 -16.417 1.00 0.00 H new ATOM 853 N LEU A 85 7.555 -15.837 -21.052 1.00 0.00 N ATOM 854 CA LEU A 85 8.437 -14.773 -21.528 1.00 0.00 C ATOM 855 C LEU A 85 9.147 -14.123 -20.330 1.00 0.00 C ATOM 856 O LEU A 85 8.645 -13.157 -19.758 1.00 0.00 O ATOM 857 CB LEU A 85 7.615 -13.718 -22.276 1.00 0.00 C ATOM 858 CG LEU A 85 8.540 -12.608 -22.776 1.00 0.00 C ATOM 859 CD1 LEU A 85 9.233 -13.067 -24.060 1.00 0.00 C ATOM 860 CD2 LEU A 85 7.713 -11.352 -23.059 1.00 0.00 C ATOM 0 H LEU A 85 7.165 -15.671 -20.124 1.00 0.00 H new ATOM 0 HA LEU A 85 9.181 -15.194 -22.205 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.094 -14.177 -23.116 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.853 -13.301 -21.617 1.00 0.00 H new ATOM 0 HG LEU A 85 9.292 -12.385 -22.019 1.00 0.00 H new ATOM 0 HD11 LEU A 85 9.893 -12.278 -24.419 1.00 0.00 H new ATOM 0 HD12 LEU A 85 9.817 -13.965 -23.857 1.00 0.00 H new ATOM 0 HD13 LEU A 85 8.483 -13.286 -24.820 1.00 0.00 H new ATOM 0 HD21 LEU A 85 8.368 -10.558 -23.416 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.964 -11.573 -23.819 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.217 -11.029 -22.144 1.00 0.00 H new ATOM 872 N PRO A 86 10.283 -14.640 -19.927 1.00 0.00 N ATOM 873 CA PRO A 86 11.045 -14.097 -18.753 1.00 0.00 C ATOM 874 C PRO A 86 11.303 -12.588 -18.826 1.00 0.00 C ATOM 875 O PRO A 86 11.168 -11.888 -17.825 1.00 0.00 O ATOM 876 CB PRO A 86 12.363 -14.871 -18.784 1.00 0.00 C ATOM 877 CG PRO A 86 12.052 -16.139 -19.505 1.00 0.00 C ATOM 878 CD PRO A 86 10.971 -15.792 -20.531 1.00 0.00 C ATOM 0 HA PRO A 86 10.478 -14.223 -17.831 1.00 0.00 H new ATOM 0 HB2 PRO A 86 13.140 -14.306 -19.298 1.00 0.00 H new ATOM 0 HB3 PRO A 86 12.727 -15.070 -17.776 1.00 0.00 H new ATOM 0 HG2 PRO A 86 12.941 -16.536 -19.995 1.00 0.00 H new ATOM 0 HG3 PRO A 86 11.701 -16.904 -18.813 1.00 0.00 H new ATOM 0 HD2 PRO A 86 11.403 -15.539 -21.499 1.00 0.00 H new ATOM 0 HD3 PRO A 86 10.289 -16.627 -20.694 1.00 0.00 H new ATOM 886 N ASP A 87 11.709 -12.095 -19.995 1.00 0.00 N ATOM 887 CA ASP A 87 12.015 -10.671 -20.151 1.00 0.00 C ATOM 888 C ASP A 87 10.850 -9.805 -19.695 1.00 0.00 C ATOM 889 O ASP A 87 11.045 -8.647 -19.323 1.00 0.00 O ATOM 890 CB ASP A 87 12.322 -10.367 -21.618 1.00 0.00 C ATOM 891 CG ASP A 87 13.607 -11.072 -22.036 1.00 0.00 C ATOM 892 OD1 ASP A 87 14.285 -11.591 -21.164 1.00 0.00 O ATOM 893 OD2 ASP A 87 13.896 -11.081 -23.221 1.00 0.00 O ATOM 0 H ASP A 87 11.833 -12.652 -20.840 1.00 0.00 H new ATOM 0 HA ASP A 87 12.882 -10.442 -19.531 1.00 0.00 H new ATOM 0 HB2 ASP A 87 11.495 -10.696 -22.247 1.00 0.00 H new ATOM 0 HB3 ASP A 87 12.424 -9.291 -21.762 1.00 0.00 H new ATOM 898 N ALA A 88 9.650 -10.362 -19.725 1.00 0.00 N ATOM 899 CA ALA A 88 8.477 -9.615 -19.300 1.00 0.00 C ATOM 900 C ALA A 88 8.720 -9.028 -17.911 1.00 0.00 C ATOM 901 O ALA A 88 8.255 -7.929 -17.590 1.00 0.00 O ATOM 902 CB ALA A 88 7.271 -10.554 -19.265 1.00 0.00 C ATOM 0 H ALA A 88 9.463 -11.316 -20.035 1.00 0.00 H new ATOM 0 HA ALA A 88 8.284 -8.802 -20.000 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.388 -10.000 -18.947 1.00 0.00 H new ATOM 0 HB2 ALA A 88 7.102 -10.966 -20.260 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.462 -11.366 -18.563 1.00 0.00 H new ATOM 908 N PHE A 89 9.463 -9.775 -17.097 1.00 0.00 N ATOM 909 CA PHE A 89 9.799 -9.358 -15.741 1.00 0.00 C ATOM 910 C PHE A 89 10.679 -8.109 -15.715 1.00 0.00 C ATOM 911 O PHE A 89 10.473 -7.220 -14.888 1.00 0.00 O ATOM 912 CB PHE A 89 10.525 -10.497 -15.028 1.00 0.00 C ATOM 913 CG PHE A 89 11.206 -9.966 -13.792 1.00 0.00 C ATOM 914 CD1 PHE A 89 10.460 -9.679 -12.644 1.00 0.00 C ATOM 915 CD2 PHE A 89 12.590 -9.765 -13.797 1.00 0.00 C ATOM 916 CE1 PHE A 89 11.100 -9.188 -11.500 1.00 0.00 C ATOM 917 CE2 PHE A 89 13.229 -9.276 -12.654 1.00 0.00 C ATOM 918 CZ PHE A 89 12.486 -8.987 -11.504 1.00 0.00 C ATOM 0 H PHE A 89 9.847 -10.683 -17.359 1.00 0.00 H new ATOM 0 HA PHE A 89 8.866 -9.114 -15.234 1.00 0.00 H new ATOM 0 HB2 PHE A 89 9.817 -11.280 -14.757 1.00 0.00 H new ATOM 0 HB3 PHE A 89 11.260 -10.948 -15.695 1.00 0.00 H new ATOM 0 HD1 PHE A 89 9.391 -9.836 -12.640 1.00 0.00 H new ATOM 0 HD2 PHE A 89 13.165 -9.988 -14.684 1.00 0.00 H new ATOM 0 HE1 PHE A 89 10.525 -8.964 -10.614 1.00 0.00 H new ATOM 0 HE2 PHE A 89 14.298 -9.121 -12.658 1.00 0.00 H new ATOM 0 HZ PHE A 89 12.980 -8.610 -10.621 1.00 0.00 H new ATOM 928 N LYS A 90 11.670 -8.049 -16.604 1.00 0.00 N ATOM 929 CA LYS A 90 12.562 -6.903 -16.624 1.00 0.00 C ATOM 930 C LYS A 90 11.815 -5.636 -17.018 1.00 0.00 C ATOM 931 O LYS A 90 12.104 -4.557 -16.504 1.00 0.00 O ATOM 932 CB LYS A 90 13.756 -7.141 -17.564 1.00 0.00 C ATOM 933 CG LYS A 90 13.306 -7.255 -19.020 1.00 0.00 C ATOM 934 CD LYS A 90 14.273 -6.467 -19.911 1.00 0.00 C ATOM 935 CE LYS A 90 15.710 -6.923 -19.640 1.00 0.00 C ATOM 936 NZ LYS A 90 16.440 -5.862 -18.886 1.00 0.00 N ATOM 0 H LYS A 90 11.869 -8.765 -17.303 1.00 0.00 H new ATOM 0 HA LYS A 90 12.950 -6.771 -15.614 1.00 0.00 H new ATOM 0 HB2 LYS A 90 14.468 -6.322 -17.465 1.00 0.00 H new ATOM 0 HB3 LYS A 90 14.276 -8.053 -17.270 1.00 0.00 H new ATOM 0 HG2 LYS A 90 13.283 -8.301 -19.325 1.00 0.00 H new ATOM 0 HG3 LYS A 90 12.293 -6.868 -19.131 1.00 0.00 H new ATOM 0 HD2 LYS A 90 14.024 -6.621 -20.961 1.00 0.00 H new ATOM 0 HD3 LYS A 90 14.176 -5.399 -19.714 1.00 0.00 H new ATOM 0 HE2 LYS A 90 15.706 -7.851 -19.069 1.00 0.00 H new ATOM 0 HE3 LYS A 90 16.220 -7.130 -20.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 17.421 -5.807 -19.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 15.971 -4.946 -19.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 16.437 -6.093 -17.872 1.00 0.00 H new ATOM 950 N ILE A 91 10.856 -5.769 -17.928 1.00 0.00 N ATOM 951 CA ILE A 91 10.081 -4.622 -18.374 1.00 0.00 C ATOM 952 C ILE A 91 9.279 -4.016 -17.226 1.00 0.00 C ATOM 953 O ILE A 91 9.319 -2.808 -17.002 1.00 0.00 O ATOM 954 CB ILE A 91 9.130 -5.036 -19.500 1.00 0.00 C ATOM 955 CG1 ILE A 91 9.936 -5.525 -20.708 1.00 0.00 C ATOM 956 CG2 ILE A 91 8.278 -3.835 -19.907 1.00 0.00 C ATOM 957 CD1 ILE A 91 8.977 -5.964 -21.819 1.00 0.00 C ATOM 0 H ILE A 91 10.600 -6.653 -18.367 1.00 0.00 H new ATOM 0 HA ILE A 91 10.779 -3.870 -18.742 1.00 0.00 H new ATOM 0 HB ILE A 91 8.485 -5.843 -19.151 1.00 0.00 H new ATOM 0 HG12 ILE A 91 10.588 -4.730 -21.069 1.00 0.00 H new ATOM 0 HG13 ILE A 91 10.578 -6.357 -20.418 1.00 0.00 H new ATOM 0 HG21 ILE A 91 7.599 -4.125 -20.709 1.00 0.00 H new ATOM 0 HG22 ILE A 91 7.700 -3.491 -19.049 1.00 0.00 H new ATOM 0 HG23 ILE A 91 8.926 -3.030 -20.254 1.00 0.00 H new ATOM 0 HD11 ILE A 91 9.550 -6.312 -22.678 1.00 0.00 H new ATOM 0 HD12 ILE A 91 8.343 -6.772 -21.454 1.00 0.00 H new ATOM 0 HD13 ILE A 91 8.354 -5.120 -22.116 1.00 0.00 H new ATOM 969 N MET A 92 8.543 -4.859 -16.508 1.00 0.00 N ATOM 970 CA MET A 92 7.724 -4.382 -15.399 1.00 0.00 C ATOM 971 C MET A 92 8.596 -3.866 -14.268 1.00 0.00 C ATOM 972 O MET A 92 8.272 -2.866 -13.626 1.00 0.00 O ATOM 973 CB MET A 92 6.855 -5.523 -14.880 1.00 0.00 C ATOM 974 CG MET A 92 5.891 -5.961 -15.980 1.00 0.00 C ATOM 975 SD MET A 92 4.736 -4.617 -16.355 1.00 0.00 S ATOM 976 CE MET A 92 3.811 -4.646 -14.798 1.00 0.00 C ATOM 0 H MET A 92 8.497 -5.865 -16.671 1.00 0.00 H new ATOM 0 HA MET A 92 7.097 -3.567 -15.759 1.00 0.00 H new ATOM 0 HB2 MET A 92 7.480 -6.361 -14.573 1.00 0.00 H new ATOM 0 HB3 MET A 92 6.299 -5.201 -14.000 1.00 0.00 H new ATOM 0 HG2 MET A 92 6.448 -6.235 -16.876 1.00 0.00 H new ATOM 0 HG3 MET A 92 5.341 -6.847 -15.663 1.00 0.00 H new ATOM 0 HE1 MET A 92 2.844 -5.123 -14.958 1.00 0.00 H new ATOM 0 HE2 MET A 92 4.373 -5.207 -14.051 1.00 0.00 H new ATOM 0 HE3 MET A 92 3.658 -3.626 -14.446 1.00 0.00 H new ATOM 986 N SER A 93 9.702 -4.552 -14.027 1.00 0.00 N ATOM 987 CA SER A 93 10.605 -4.155 -12.969 1.00 0.00 C ATOM 988 C SER A 93 11.096 -2.728 -13.184 1.00 0.00 C ATOM 989 O SER A 93 11.110 -1.928 -12.256 1.00 0.00 O ATOM 990 CB SER A 93 11.794 -5.114 -12.938 1.00 0.00 C ATOM 991 OG SER A 93 11.366 -6.380 -12.444 1.00 0.00 O ATOM 0 H SER A 93 9.991 -5.380 -14.548 1.00 0.00 H new ATOM 0 HA SER A 93 10.074 -4.193 -12.018 1.00 0.00 H new ATOM 0 HB2 SER A 93 12.213 -5.224 -13.938 1.00 0.00 H new ATOM 0 HB3 SER A 93 12.584 -4.712 -12.304 1.00 0.00 H new ATOM 0 HG SER A 93 12.146 -6.955 -12.300 1.00 0.00 H new ATOM 997 N GLN A 94 11.492 -2.415 -14.406 1.00 0.00 N ATOM 998 CA GLN A 94 11.981 -1.079 -14.728 1.00 0.00 C ATOM 999 C GLN A 94 10.884 -0.016 -14.619 1.00 0.00 C ATOM 1000 O GLN A 94 11.144 1.121 -14.225 1.00 0.00 O ATOM 1001 CB GLN A 94 12.552 -1.076 -16.146 1.00 0.00 C ATOM 1002 CG GLN A 94 13.812 -1.942 -16.191 1.00 0.00 C ATOM 1003 CD GLN A 94 14.384 -1.954 -17.604 1.00 0.00 C ATOM 1004 OE1 GLN A 94 13.989 -1.146 -18.442 1.00 0.00 O ATOM 1005 NE2 GLN A 94 15.296 -2.834 -17.921 1.00 0.00 N ATOM 0 H GLN A 94 11.486 -3.064 -15.193 1.00 0.00 H new ATOM 0 HA GLN A 94 12.755 -0.828 -14.002 1.00 0.00 H new ATOM 0 HB2 GLN A 94 11.811 -1.457 -16.849 1.00 0.00 H new ATOM 0 HB3 GLN A 94 12.787 -0.057 -16.452 1.00 0.00 H new ATOM 0 HG2 GLN A 94 14.554 -1.556 -15.492 1.00 0.00 H new ATOM 0 HG3 GLN A 94 13.576 -2.959 -15.876 1.00 0.00 H new ATOM 0 HE21 GLN A 94 15.623 -3.504 -17.224 1.00 0.00 H new ATOM 0 HE22 GLN A 94 15.682 -2.851 -18.865 1.00 0.00 H new ATOM 1014 N ARG A 95 9.670 -0.389 -15.002 1.00 0.00 N ATOM 1015 CA ARG A 95 8.539 0.541 -14.985 1.00 0.00 C ATOM 1016 C ARG A 95 7.931 0.757 -13.595 1.00 0.00 C ATOM 1017 O ARG A 95 7.373 1.820 -13.327 1.00 0.00 O ATOM 1018 CB ARG A 95 7.450 0.033 -15.927 1.00 0.00 C ATOM 1019 CG ARG A 95 8.002 -0.038 -17.351 1.00 0.00 C ATOM 1020 CD ARG A 95 6.914 -0.561 -18.284 1.00 0.00 C ATOM 1021 NE ARG A 95 7.479 -0.930 -19.570 1.00 0.00 N ATOM 1022 CZ ARG A 95 6.746 -0.874 -20.678 1.00 0.00 C ATOM 1023 NH1 ARG A 95 5.523 -0.424 -20.621 1.00 0.00 N ATOM 1024 NH2 ARG A 95 7.253 -1.253 -21.813 1.00 0.00 N ATOM 0 H ARG A 95 9.439 -1.327 -15.329 1.00 0.00 H new ATOM 0 HA ARG A 95 8.932 1.504 -15.309 1.00 0.00 H new ATOM 0 HB2 ARG A 95 7.109 -0.952 -15.608 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.586 0.696 -15.893 1.00 0.00 H new ATOM 0 HG2 ARG A 95 8.333 0.949 -17.675 1.00 0.00 H new ATOM 0 HG3 ARG A 95 8.873 -0.693 -17.384 1.00 0.00 H new ATOM 0 HD2 ARG A 95 6.425 -1.425 -17.834 1.00 0.00 H new ATOM 0 HD3 ARG A 95 6.148 0.202 -18.422 1.00 0.00 H new ATOM 0 HE ARG A 95 8.451 -1.236 -19.624 1.00 0.00 H new ATOM 0 HH11 ARG A 95 5.133 -0.117 -19.730 1.00 0.00 H new ATOM 0 HH12 ARG A 95 4.956 -0.379 -21.468 1.00 0.00 H new ATOM 0 HH21 ARG A 95 8.214 -1.594 -21.854 1.00 0.00 H new ATOM 0 HH22 ARG A 95 6.690 -1.210 -22.663 1.00 0.00 H new ATOM 1038 N CYS A 96 7.969 -0.254 -12.731 1.00 0.00 N ATOM 1039 CA CYS A 96 7.338 -0.115 -11.415 1.00 0.00 C ATOM 1040 C CYS A 96 8.324 -0.082 -10.245 1.00 0.00 C ATOM 1041 O CYS A 96 7.961 0.352 -9.153 1.00 0.00 O ATOM 1042 CB CYS A 96 6.356 -1.270 -11.191 1.00 0.00 C ATOM 1043 SG CYS A 96 5.318 -1.488 -12.658 1.00 0.00 S ATOM 0 H CYS A 96 8.415 -1.154 -12.907 1.00 0.00 H new ATOM 0 HA CYS A 96 6.832 0.850 -11.430 1.00 0.00 H new ATOM 0 HB2 CYS A 96 6.903 -2.189 -10.982 1.00 0.00 H new ATOM 0 HB3 CYS A 96 5.733 -1.065 -10.321 1.00 0.00 H new ATOM 1048 N ASN A 97 9.541 -0.566 -10.434 1.00 0.00 N ATOM 1049 CA ASN A 97 10.491 -0.593 -9.325 1.00 0.00 C ATOM 1050 C ASN A 97 10.716 0.789 -8.718 1.00 0.00 C ATOM 1051 O ASN A 97 10.930 1.772 -9.429 1.00 0.00 O ATOM 1052 CB ASN A 97 11.827 -1.167 -9.783 1.00 0.00 C ATOM 1053 CG ASN A 97 11.731 -2.689 -9.857 1.00 0.00 C ATOM 1054 OD1 ASN A 97 10.802 -3.278 -9.305 1.00 0.00 O ATOM 1055 ND2 ASN A 97 12.639 -3.366 -10.504 1.00 0.00 N ATOM 0 H ASN A 97 9.891 -0.937 -11.317 1.00 0.00 H new ATOM 0 HA ASN A 97 10.057 -1.230 -8.555 1.00 0.00 H new ATOM 0 HB2 ASN A 97 12.093 -0.761 -10.759 1.00 0.00 H new ATOM 0 HB3 ASN A 97 12.616 -0.875 -9.090 1.00 0.00 H new ATOM 0 HD21 ASN A 97 12.579 -4.383 -10.552 1.00 0.00 H new ATOM 0 HD22 ASN A 97 13.409 -2.878 -10.962 1.00 0.00 H new ATOM 1062 N ASN A 98 10.686 0.831 -7.384 1.00 0.00 N ATOM 1063 CA ASN A 98 10.905 2.061 -6.628 1.00 0.00 C ATOM 1064 C ASN A 98 9.796 3.077 -6.825 1.00 0.00 C ATOM 1065 O ASN A 98 9.938 4.239 -6.437 1.00 0.00 O ATOM 1066 CB ASN A 98 12.254 2.673 -6.982 1.00 0.00 C ATOM 1067 CG ASN A 98 13.345 1.865 -6.300 1.00 0.00 C ATOM 1068 OD1 ASN A 98 13.077 0.818 -5.708 1.00 0.00 O ATOM 1069 ND2 ASN A 98 14.574 2.352 -6.367 1.00 0.00 N ATOM 0 H ASN A 98 10.509 0.013 -6.800 1.00 0.00 H new ATOM 0 HA ASN A 98 10.899 1.786 -5.573 1.00 0.00 H new ATOM 0 HB2 ASN A 98 12.400 2.670 -8.062 1.00 0.00 H new ATOM 0 HB3 ASN A 98 12.295 3.713 -6.658 1.00 0.00 H new ATOM 0 HD22 ASN A 98 14.751 3.223 -6.868 1.00 0.00 H new ATOM 1075 N ARG A 99 8.691 2.647 -7.400 1.00 0.00 N ATOM 1076 CA ARG A 99 7.575 3.547 -7.599 1.00 0.00 C ATOM 1077 C ARG A 99 6.405 3.125 -6.736 1.00 0.00 C ATOM 1078 O ARG A 99 6.176 1.938 -6.503 1.00 0.00 O ATOM 1079 CB ARG A 99 7.147 3.555 -9.058 1.00 0.00 C ATOM 1080 CG ARG A 99 8.207 4.264 -9.888 1.00 0.00 C ATOM 1081 CD ARG A 99 7.711 4.385 -11.323 1.00 0.00 C ATOM 1082 NE ARG A 99 8.827 4.604 -12.229 1.00 0.00 N ATOM 1083 CZ ARG A 99 8.710 4.323 -13.521 1.00 0.00 C ATOM 1084 NH1 ARG A 99 7.550 3.963 -14.000 1.00 0.00 N ATOM 1085 NH2 ARG A 99 9.742 4.430 -14.309 1.00 0.00 N ATOM 0 H ARG A 99 8.543 1.694 -7.733 1.00 0.00 H new ATOM 0 HA ARG A 99 7.893 4.551 -7.316 1.00 0.00 H new ATOM 0 HB2 ARG A 99 7.012 2.534 -9.415 1.00 0.00 H new ATOM 0 HB3 ARG A 99 6.187 4.060 -9.165 1.00 0.00 H new ATOM 0 HG2 ARG A 99 8.411 5.252 -9.475 1.00 0.00 H new ATOM 0 HG3 ARG A 99 9.144 3.707 -9.859 1.00 0.00 H new ATOM 0 HD2 ARG A 99 7.176 3.479 -11.607 1.00 0.00 H new ATOM 0 HD3 ARG A 99 7.003 5.210 -11.401 1.00 0.00 H new ATOM 0 HE ARG A 99 9.706 4.976 -11.869 1.00 0.00 H new ATOM 0 HH11 ARG A 99 6.741 3.899 -13.382 1.00 0.00 H new ATOM 0 HH12 ARG A 99 7.453 3.746 -14.992 1.00 0.00 H new ATOM 0 HH21 ARG A 99 10.642 4.730 -13.933 1.00 0.00 H new ATOM 0 HH22 ARG A 99 9.650 4.214 -15.302 1.00 0.00 H new ATOM 1099 N THR A 100 5.661 4.108 -6.271 1.00 0.00 N ATOM 1100 CA THR A 100 4.505 3.842 -5.440 1.00 0.00 C ATOM 1101 C THR A 100 3.406 3.196 -6.286 1.00 0.00 C ATOM 1102 O THR A 100 2.659 2.342 -5.807 1.00 0.00 O ATOM 1103 CB THR A 100 4.023 5.156 -4.824 1.00 0.00 C ATOM 1104 OG1 THR A 100 5.103 5.771 -4.131 1.00 0.00 O ATOM 1105 CG2 THR A 100 2.881 4.889 -3.844 1.00 0.00 C ATOM 0 H THR A 100 5.836 5.096 -6.454 1.00 0.00 H new ATOM 0 HA THR A 100 4.766 3.153 -4.637 1.00 0.00 H new ATOM 0 HB THR A 100 3.666 5.814 -5.617 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.800 6.615 -3.736 1.00 0.00 H new ATOM 0 HG21 THR A 100 2.545 5.831 -3.411 1.00 0.00 H new ATOM 0 HG22 THR A 100 2.052 4.416 -4.371 1.00 0.00 H new ATOM 0 HG23 THR A 100 3.230 4.229 -3.050 1.00 0.00 H new ATOM 1113 N GLN A 101 3.340 3.597 -7.557 1.00 0.00 N ATOM 1114 CA GLN A 101 2.352 3.038 -8.485 1.00 0.00 C ATOM 1115 C GLN A 101 2.893 3.047 -9.912 1.00 0.00 C ATOM 1116 O GLN A 101 3.766 3.847 -10.249 1.00 0.00 O ATOM 1117 CB GLN A 101 1.052 3.841 -8.447 1.00 0.00 C ATOM 1118 CG GLN A 101 1.284 5.223 -9.055 1.00 0.00 C ATOM 1119 CD GLN A 101 0.747 5.273 -10.486 1.00 0.00 C ATOM 1120 OE1 GLN A 101 1.412 5.801 -11.377 1.00 0.00 O ATOM 1121 NE2 GLN A 101 -0.418 4.753 -10.762 1.00 0.00 N ATOM 0 H GLN A 101 3.954 4.302 -7.966 1.00 0.00 H new ATOM 0 HA GLN A 101 2.152 2.013 -8.173 1.00 0.00 H new ATOM 0 HB2 GLN A 101 0.273 3.316 -8.999 1.00 0.00 H new ATOM 0 HB3 GLN A 101 0.703 3.939 -7.419 1.00 0.00 H new ATOM 0 HG2 GLN A 101 0.790 5.982 -8.448 1.00 0.00 H new ATOM 0 HG3 GLN A 101 2.349 5.455 -9.051 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -0.969 4.315 -10.024 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -0.777 4.784 -11.716 1.00 0.00 H new ATOM 1130 N CYS A 102 2.360 2.156 -10.746 1.00 0.00 N ATOM 1131 CA CYS A 102 2.795 2.078 -12.138 1.00 0.00 C ATOM 1132 C CYS A 102 1.703 1.491 -13.032 1.00 0.00 C ATOM 1133 O CYS A 102 0.944 0.614 -12.612 1.00 0.00 O ATOM 1134 CB CYS A 102 4.054 1.217 -12.233 1.00 0.00 C ATOM 1135 SG CYS A 102 3.601 -0.532 -12.195 1.00 0.00 S ATOM 0 H CYS A 102 1.636 1.486 -10.486 1.00 0.00 H new ATOM 0 HA CYS A 102 3.008 3.089 -12.484 1.00 0.00 H new ATOM 0 HB2 CYS A 102 4.592 1.443 -13.154 1.00 0.00 H new ATOM 0 HB3 CYS A 102 4.726 1.446 -11.406 1.00 0.00 H new ATOM 1140 N VAL A 103 1.646 1.971 -14.274 1.00 0.00 N ATOM 1141 CA VAL A 103 0.664 1.481 -15.241 1.00 0.00 C ATOM 1142 C VAL A 103 1.377 0.968 -16.482 1.00 0.00 C ATOM 1143 O VAL A 103 2.194 1.674 -17.073 1.00 0.00 O ATOM 1144 CB VAL A 103 -0.293 2.607 -15.640 1.00 0.00 C ATOM 1145 CG1 VAL A 103 -1.309 2.088 -16.665 1.00 0.00 C ATOM 1146 CG2 VAL A 103 -1.034 3.105 -14.399 1.00 0.00 C ATOM 0 H VAL A 103 2.266 2.697 -14.634 1.00 0.00 H new ATOM 0 HA VAL A 103 0.096 0.672 -14.782 1.00 0.00 H new ATOM 0 HB VAL A 103 0.277 3.424 -16.081 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -1.987 2.894 -16.945 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.783 1.732 -17.551 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -1.880 1.268 -16.229 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -1.716 3.907 -14.680 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -1.600 2.284 -13.960 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -0.314 3.479 -13.671 1.00 0.00 H new ATOM 1156 N VAL A 104 1.069 -0.260 -16.871 1.00 0.00 N ATOM 1157 CA VAL A 104 1.706 -0.843 -18.042 1.00 0.00 C ATOM 1158 C VAL A 104 0.698 -1.585 -18.910 1.00 0.00 C ATOM 1159 O VAL A 104 -0.229 -2.219 -18.408 1.00 0.00 O ATOM 1160 CB VAL A 104 2.813 -1.797 -17.602 1.00 0.00 C ATOM 1161 CG1 VAL A 104 3.524 -2.355 -18.836 1.00 0.00 C ATOM 1162 CG2 VAL A 104 3.816 -1.029 -16.734 1.00 0.00 C ATOM 0 H VAL A 104 0.394 -0.864 -16.402 1.00 0.00 H new ATOM 0 HA VAL A 104 2.131 -0.034 -18.637 1.00 0.00 H new ATOM 0 HB VAL A 104 2.387 -2.621 -17.030 1.00 0.00 H new ATOM 0 HG11 VAL A 104 4.315 -3.037 -18.523 1.00 0.00 H new ATOM 0 HG12 VAL A 104 2.807 -2.892 -19.457 1.00 0.00 H new ATOM 0 HG13 VAL A 104 3.957 -1.535 -19.408 1.00 0.00 H new ATOM 0 HG21 VAL A 104 4.611 -1.703 -16.414 1.00 0.00 H new ATOM 0 HG22 VAL A 104 4.244 -0.210 -17.311 1.00 0.00 H new ATOM 0 HG23 VAL A 104 3.307 -0.628 -15.858 1.00 0.00 H new ATOM 1172 N VAL A 105 0.892 -1.507 -20.220 1.00 0.00 N ATOM 1173 CA VAL A 105 0.004 -2.183 -21.152 1.00 0.00 C ATOM 1174 C VAL A 105 0.344 -3.667 -21.203 1.00 0.00 C ATOM 1175 O VAL A 105 1.435 -4.037 -21.622 1.00 0.00 O ATOM 1176 CB VAL A 105 0.166 -1.572 -22.545 1.00 0.00 C ATOM 1177 CG1 VAL A 105 -0.645 -2.374 -23.567 1.00 0.00 C ATOM 1178 CG2 VAL A 105 -0.330 -0.124 -22.522 1.00 0.00 C ATOM 0 H VAL A 105 1.652 -0.986 -20.658 1.00 0.00 H new ATOM 0 HA VAL A 105 -1.027 -2.062 -20.819 1.00 0.00 H new ATOM 0 HB VAL A 105 1.218 -1.597 -22.828 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.524 -1.932 -24.556 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -0.291 -3.405 -23.585 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -1.699 -2.357 -23.289 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -0.216 0.315 -23.513 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -1.381 -0.104 -22.235 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.254 0.449 -21.802 1.00 0.00 H new ATOM 1188 N ALA A 106 -0.582 -4.514 -20.767 1.00 0.00 N ATOM 1189 CA ALA A 106 -0.333 -5.951 -20.770 1.00 0.00 C ATOM 1190 C ALA A 106 -0.247 -6.494 -22.195 1.00 0.00 C ATOM 1191 O ALA A 106 -0.681 -7.615 -22.458 1.00 0.00 O ATOM 1192 CB ALA A 106 -1.443 -6.688 -20.012 1.00 0.00 C ATOM 0 H ALA A 106 -1.497 -4.237 -20.412 1.00 0.00 H new ATOM 0 HA ALA A 106 0.622 -6.121 -20.273 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -1.242 -7.759 -20.024 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -1.475 -6.336 -18.981 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -2.402 -6.494 -20.492 1.00 0.00 H new ATOM 1198 N GLY A 107 0.303 -5.705 -23.118 1.00 0.00 N ATOM 1199 CA GLY A 107 0.420 -6.157 -24.503 1.00 0.00 C ATOM 1200 C GLY A 107 1.088 -5.113 -25.400 1.00 0.00 C ATOM 1201 O GLY A 107 2.238 -4.728 -25.178 1.00 0.00 O ATOM 0 H GLY A 107 0.667 -4.770 -22.938 1.00 0.00 H new ATOM 0 HA2 GLY A 107 0.997 -7.081 -24.534 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -0.572 -6.387 -24.893 1.00 0.00 H new ATOM 1205 N SER A 108 0.356 -4.673 -26.421 1.00 0.00 N ATOM 1206 CA SER A 108 0.863 -3.683 -27.372 1.00 0.00 C ATOM 1207 C SER A 108 2.374 -3.807 -27.553 1.00 0.00 C ATOM 1208 O SER A 108 2.964 -4.850 -27.261 1.00 0.00 O ATOM 1209 CB SER A 108 0.527 -2.277 -26.883 1.00 0.00 C ATOM 1210 OG SER A 108 0.518 -1.383 -27.988 1.00 0.00 O ATOM 0 H SER A 108 -0.595 -4.988 -26.613 1.00 0.00 H new ATOM 0 HA SER A 108 0.385 -3.868 -28.334 1.00 0.00 H new ATOM 0 HB2 SER A 108 -0.445 -2.274 -26.391 1.00 0.00 H new ATOM 0 HB3 SER A 108 1.260 -1.952 -26.144 1.00 0.00 H new ATOM 0 HG SER A 108 0.301 -0.480 -27.676 1.00 0.00 H new ATOM 1216 N ASP A 109 2.991 -2.741 -28.055 1.00 0.00 N ATOM 1217 CA ASP A 109 4.429 -2.743 -28.287 1.00 0.00 C ATOM 1218 C ASP A 109 5.173 -2.780 -26.962 1.00 0.00 C ATOM 1219 O ASP A 109 6.404 -2.763 -26.928 1.00 0.00 O ATOM 1220 CB ASP A 109 4.838 -1.496 -29.076 1.00 0.00 C ATOM 1221 CG ASP A 109 3.980 -1.374 -30.332 1.00 0.00 C ATOM 1222 OD1 ASP A 109 3.294 -2.331 -30.651 1.00 0.00 O ATOM 1223 OD2 ASP A 109 4.021 -0.327 -30.957 1.00 0.00 O ATOM 0 H ASP A 109 2.521 -1.872 -28.307 1.00 0.00 H new ATOM 0 HA ASP A 109 4.688 -3.630 -28.865 1.00 0.00 H new ATOM 0 HB2 ASP A 109 4.720 -0.607 -28.456 1.00 0.00 H new ATOM 0 HB3 ASP A 109 5.892 -1.556 -29.349 1.00 0.00 H new ATOM 1228 N ALA A 110 4.419 -2.838 -25.869 1.00 0.00 N ATOM 1229 CA ALA A 110 5.030 -2.884 -24.551 1.00 0.00 C ATOM 1230 C ALA A 110 5.420 -4.316 -24.218 1.00 0.00 C ATOM 1231 O ALA A 110 6.170 -4.558 -23.272 1.00 0.00 O ATOM 1232 CB ALA A 110 4.058 -2.354 -23.492 1.00 0.00 C ATOM 0 H ALA A 110 3.399 -2.854 -25.871 1.00 0.00 H new ATOM 0 HA ALA A 110 5.920 -2.255 -24.555 1.00 0.00 H new ATOM 0 HB1 ALA A 110 4.531 -2.395 -22.511 1.00 0.00 H new ATOM 0 HB2 ALA A 110 3.794 -1.322 -23.724 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.157 -2.967 -23.486 1.00 0.00 H new ATOM 1238 N PHE A 111 4.909 -5.270 -25.002 1.00 0.00 N ATOM 1239 CA PHE A 111 5.229 -6.673 -24.770 1.00 0.00 C ATOM 1240 C PHE A 111 5.343 -7.453 -26.078 1.00 0.00 C ATOM 1241 O PHE A 111 4.456 -7.376 -26.931 1.00 0.00 O ATOM 1242 CB PHE A 111 4.146 -7.322 -23.928 1.00 0.00 C ATOM 1243 CG PHE A 111 4.320 -6.883 -22.508 1.00 0.00 C ATOM 1244 CD1 PHE A 111 5.376 -7.392 -21.750 1.00 0.00 C ATOM 1245 CD2 PHE A 111 3.438 -5.957 -21.954 1.00 0.00 C ATOM 1246 CE1 PHE A 111 5.548 -6.975 -20.428 1.00 0.00 C ATOM 1247 CE2 PHE A 111 3.609 -5.535 -20.631 1.00 0.00 C ATOM 1248 CZ PHE A 111 4.666 -6.045 -19.868 1.00 0.00 C ATOM 0 H PHE A 111 4.283 -5.097 -25.789 1.00 0.00 H new ATOM 0 HA PHE A 111 6.189 -6.700 -24.255 1.00 0.00 H new ATOM 0 HB2 PHE A 111 3.160 -7.037 -24.294 1.00 0.00 H new ATOM 0 HB3 PHE A 111 4.211 -8.408 -23.999 1.00 0.00 H new ATOM 0 HD1 PHE A 111 6.059 -8.107 -22.185 1.00 0.00 H new ATOM 0 HD2 PHE A 111 2.623 -5.566 -22.545 1.00 0.00 H new ATOM 0 HE1 PHE A 111 6.362 -7.371 -19.838 1.00 0.00 H new ATOM 0 HE2 PHE A 111 2.927 -4.817 -20.199 1.00 0.00 H new ATOM 0 HZ PHE A 111 4.800 -5.720 -18.847 1.00 0.00 H new ATOM 1258 N PRO A 112 6.388 -8.226 -26.244 1.00 0.00 N ATOM 1259 CA PRO A 112 6.572 -9.057 -27.467 1.00 0.00 C ATOM 1260 C PRO A 112 5.396 -10.001 -27.710 1.00 0.00 C ATOM 1261 O PRO A 112 4.246 -9.680 -27.406 1.00 0.00 O ATOM 1262 CB PRO A 112 7.839 -9.870 -27.202 1.00 0.00 C ATOM 1263 CG PRO A 112 8.536 -9.216 -26.056 1.00 0.00 C ATOM 1264 CD PRO A 112 7.510 -8.380 -25.301 1.00 0.00 C ATOM 0 HA PRO A 112 6.641 -8.428 -28.354 1.00 0.00 H new ATOM 0 HB2 PRO A 112 7.592 -10.905 -26.965 1.00 0.00 H new ATOM 0 HB3 PRO A 112 8.479 -9.889 -28.084 1.00 0.00 H new ATOM 0 HG2 PRO A 112 8.976 -9.966 -25.398 1.00 0.00 H new ATOM 0 HG3 PRO A 112 9.352 -8.588 -26.414 1.00 0.00 H new ATOM 0 HD2 PRO A 112 7.192 -8.876 -24.384 1.00 0.00 H new ATOM 0 HD3 PRO A 112 7.922 -7.413 -25.013 1.00 0.00 H new ATOM 1272 N ASP A 113 5.704 -11.166 -28.276 1.00 0.00 N ATOM 1273 CA ASP A 113 4.689 -12.169 -28.580 1.00 0.00 C ATOM 1274 C ASP A 113 5.262 -13.580 -28.412 1.00 0.00 C ATOM 1275 O ASP A 113 5.742 -14.173 -29.377 1.00 0.00 O ATOM 1276 CB ASP A 113 4.219 -11.978 -30.022 1.00 0.00 C ATOM 1277 CG ASP A 113 2.915 -12.729 -30.264 1.00 0.00 C ATOM 1278 OD1 ASP A 113 2.680 -13.706 -29.572 1.00 0.00 O ATOM 1279 OD2 ASP A 113 2.172 -12.318 -31.140 1.00 0.00 O ATOM 0 H ASP A 113 6.653 -11.438 -28.534 1.00 0.00 H new ATOM 0 HA ASP A 113 3.851 -12.050 -27.893 1.00 0.00 H new ATOM 0 HB2 ASP A 113 4.077 -10.917 -30.227 1.00 0.00 H new ATOM 0 HB3 ASP A 113 4.985 -12.336 -30.710 1.00 0.00 H new ATOM 1284 N PRO A 114 5.231 -14.124 -27.219 1.00 0.00 N ATOM 1285 CA PRO A 114 5.775 -15.490 -26.943 1.00 0.00 C ATOM 1286 C PRO A 114 4.902 -16.604 -27.522 1.00 0.00 C ATOM 1287 O PRO A 114 5.305 -17.767 -27.555 1.00 0.00 O ATOM 1288 CB PRO A 114 5.817 -15.565 -25.417 1.00 0.00 C ATOM 1289 CG PRO A 114 4.787 -14.596 -24.941 1.00 0.00 C ATOM 1290 CD PRO A 114 4.678 -13.501 -26.004 1.00 0.00 C ATOM 0 HA PRO A 114 6.749 -15.636 -27.410 1.00 0.00 H new ATOM 0 HB2 PRO A 114 5.598 -16.574 -25.068 1.00 0.00 H new ATOM 0 HB3 PRO A 114 6.805 -15.304 -25.038 1.00 0.00 H new ATOM 0 HG2 PRO A 114 3.827 -15.092 -24.799 1.00 0.00 H new ATOM 0 HG3 PRO A 114 5.072 -14.172 -23.978 1.00 0.00 H new ATOM 0 HD2 PRO A 114 3.644 -13.190 -26.151 1.00 0.00 H new ATOM 0 HD3 PRO A 114 5.241 -12.612 -25.720 1.00 0.00 H new ATOM 1298 N CYS A 115 3.716 -16.238 -27.991 1.00 0.00 N ATOM 1299 CA CYS A 115 2.804 -17.220 -28.579 1.00 0.00 C ATOM 1300 C CYS A 115 1.673 -16.532 -29.338 1.00 0.00 C ATOM 1301 O CYS A 115 0.533 -16.449 -28.868 1.00 0.00 O ATOM 1302 CB CYS A 115 2.221 -18.130 -27.498 1.00 0.00 C ATOM 1303 SG CYS A 115 1.863 -17.164 -26.013 1.00 0.00 S ATOM 0 H CYS A 115 3.363 -15.281 -27.978 1.00 0.00 H new ATOM 0 HA CYS A 115 3.378 -17.825 -29.281 1.00 0.00 H new ATOM 0 HB2 CYS A 115 1.310 -18.605 -27.862 1.00 0.00 H new ATOM 0 HB3 CYS A 115 2.925 -18.928 -27.263 1.00 0.00 H new ATOM 1308 N PRO A 116 1.969 -16.055 -30.512 1.00 0.00 N ATOM 1309 CA PRO A 116 0.965 -15.378 -31.370 1.00 0.00 C ATOM 1310 C PRO A 116 -0.244 -16.275 -31.601 1.00 0.00 C ATOM 1311 O PRO A 116 -0.123 -17.501 -31.627 1.00 0.00 O ATOM 1312 CB PRO A 116 1.705 -15.104 -32.685 1.00 0.00 C ATOM 1313 CG PRO A 116 3.162 -15.222 -32.376 1.00 0.00 C ATOM 1314 CD PRO A 116 3.292 -16.116 -31.144 1.00 0.00 C ATOM 0 HA PRO A 116 0.580 -14.465 -30.916 1.00 0.00 H new ATOM 0 HB2 PRO A 116 1.411 -15.819 -33.453 1.00 0.00 H new ATOM 0 HB3 PRO A 116 1.467 -14.111 -33.066 1.00 0.00 H new ATOM 0 HG2 PRO A 116 3.701 -15.651 -33.221 1.00 0.00 H new ATOM 0 HG3 PRO A 116 3.596 -14.240 -32.186 1.00 0.00 H new ATOM 0 HD2 PRO A 116 3.555 -17.137 -31.419 1.00 0.00 H new ATOM 0 HD3 PRO A 116 4.071 -15.757 -30.472 1.00 0.00 H new ATOM 1322 N GLY A 117 -1.408 -15.670 -31.783 1.00 0.00 N ATOM 1323 CA GLY A 117 -2.619 -16.438 -32.031 1.00 0.00 C ATOM 1324 C GLY A 117 -3.221 -17.007 -30.746 1.00 0.00 C ATOM 1325 O GLY A 117 -4.306 -17.589 -30.780 1.00 0.00 O ATOM 0 H GLY A 117 -1.540 -14.659 -31.764 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -3.355 -15.802 -32.523 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -2.394 -17.255 -32.717 1.00 0.00 H new ATOM 1329 N THR A 118 -2.544 -16.833 -29.607 1.00 0.00 N ATOM 1330 CA THR A 118 -3.066 -17.332 -28.337 1.00 0.00 C ATOM 1331 C THR A 118 -3.413 -16.150 -27.433 1.00 0.00 C ATOM 1332 O THR A 118 -2.759 -15.108 -27.502 1.00 0.00 O ATOM 1333 CB THR A 118 -2.009 -18.210 -27.655 1.00 0.00 C ATOM 1334 OG1 THR A 118 -1.572 -19.215 -28.561 1.00 0.00 O ATOM 1335 CG2 THR A 118 -2.600 -18.867 -26.408 1.00 0.00 C ATOM 0 H THR A 118 -1.645 -16.356 -29.540 1.00 0.00 H new ATOM 0 HA THR A 118 -3.962 -17.926 -28.520 1.00 0.00 H new ATOM 0 HB THR A 118 -1.163 -17.589 -27.362 1.00 0.00 H new ATOM 0 HG1 THR A 118 -0.895 -19.775 -28.127 1.00 0.00 H new ATOM 0 HG21 THR A 118 -1.842 -19.488 -25.930 1.00 0.00 H new ATOM 0 HG22 THR A 118 -2.929 -18.096 -25.711 1.00 0.00 H new ATOM 0 HG23 THR A 118 -3.451 -19.486 -26.692 1.00 0.00 H new ATOM 1343 N TYR A 119 -4.427 -16.299 -26.584 1.00 0.00 N ATOM 1344 CA TYR A 119 -4.796 -15.208 -25.687 1.00 0.00 C ATOM 1345 C TYR A 119 -3.930 -15.270 -24.443 1.00 0.00 C ATOM 1346 O TYR A 119 -3.987 -16.238 -23.696 1.00 0.00 O ATOM 1347 CB TYR A 119 -6.269 -15.301 -25.286 1.00 0.00 C ATOM 1348 CG TYR A 119 -6.706 -13.976 -24.706 1.00 0.00 C ATOM 1349 CD1 TYR A 119 -6.512 -13.703 -23.346 1.00 0.00 C ATOM 1350 CD2 TYR A 119 -7.296 -13.016 -25.534 1.00 0.00 C ATOM 1351 CE1 TYR A 119 -6.910 -12.468 -22.817 1.00 0.00 C ATOM 1352 CE2 TYR A 119 -7.692 -11.782 -25.007 1.00 0.00 C ATOM 1353 CZ TYR A 119 -7.501 -11.508 -23.648 1.00 0.00 C ATOM 1354 OH TYR A 119 -7.889 -10.291 -23.128 1.00 0.00 O ATOM 0 H TYR A 119 -4.995 -17.142 -26.498 1.00 0.00 H new ATOM 0 HA TYR A 119 -4.641 -14.263 -26.208 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -6.880 -15.552 -26.153 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -6.411 -16.097 -24.555 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -6.056 -14.444 -22.706 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -7.446 -13.228 -26.582 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -6.761 -12.256 -21.768 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -8.145 -11.041 -25.649 1.00 0.00 H new ATOM 0 HH TYR A 119 -7.199 -9.620 -23.315 1.00 0.00 H new ATOM 1364 N LYS A 120 -3.084 -14.269 -24.266 1.00 0.00 N ATOM 1365 CA LYS A 120 -2.158 -14.260 -23.143 1.00 0.00 C ATOM 1366 C LYS A 120 -2.681 -13.507 -21.916 1.00 0.00 C ATOM 1367 O LYS A 120 -3.858 -13.157 -21.797 1.00 0.00 O ATOM 1368 CB LYS A 120 -0.832 -13.646 -23.605 1.00 0.00 C ATOM 1369 CG LYS A 120 -0.275 -14.481 -24.753 1.00 0.00 C ATOM 1370 CD LYS A 120 1.000 -13.831 -25.286 1.00 0.00 C ATOM 1371 CE LYS A 120 0.659 -13.036 -26.543 1.00 0.00 C ATOM 1372 NZ LYS A 120 0.770 -13.927 -27.730 1.00 0.00 N ATOM 0 H LYS A 120 -3.018 -13.457 -24.880 1.00 0.00 H new ATOM 0 HA LYS A 120 -2.027 -15.294 -22.826 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -0.986 -12.616 -23.928 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -0.121 -13.619 -22.779 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -0.063 -15.494 -24.410 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -1.015 -14.562 -25.550 1.00 0.00 H new ATOM 0 HD2 LYS A 120 1.433 -13.175 -24.531 1.00 0.00 H new ATOM 0 HD3 LYS A 120 1.746 -14.593 -25.512 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -0.351 -12.632 -26.470 1.00 0.00 H new ATOM 0 HE3 LYS A 120 1.335 -12.187 -26.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 0.012 -13.701 -28.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 1.694 -13.785 -28.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 0.681 -14.919 -27.429 1.00 0.00 H new ATOM 1386 N TYR A 121 -1.722 -13.200 -21.063 1.00 0.00 N ATOM 1387 CA TYR A 121 -1.959 -12.421 -19.860 1.00 0.00 C ATOM 1388 C TYR A 121 -0.645 -12.000 -19.231 1.00 0.00 C ATOM 1389 O TYR A 121 0.421 -12.481 -19.615 1.00 0.00 O ATOM 1390 CB TYR A 121 -2.862 -13.174 -18.865 1.00 0.00 C ATOM 1391 CG TYR A 121 -2.192 -14.401 -18.278 1.00 0.00 C ATOM 1392 CD1 TYR A 121 -1.086 -14.277 -17.427 1.00 0.00 C ATOM 1393 CD2 TYR A 121 -2.720 -15.668 -18.559 1.00 0.00 C ATOM 1394 CE1 TYR A 121 -0.504 -15.422 -16.865 1.00 0.00 C ATOM 1395 CE2 TYR A 121 -2.143 -16.810 -17.989 1.00 0.00 C ATOM 1396 CZ TYR A 121 -1.034 -16.687 -17.146 1.00 0.00 C ATOM 1397 OH TYR A 121 -0.470 -17.815 -16.580 1.00 0.00 O ATOM 0 H TYR A 121 -0.750 -13.485 -21.185 1.00 0.00 H new ATOM 0 HA TYR A 121 -2.496 -11.515 -20.142 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -3.147 -12.500 -18.057 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -3.781 -13.473 -19.369 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -0.682 -13.300 -17.204 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -3.572 -15.764 -19.215 1.00 0.00 H new ATOM 0 HE1 TYR A 121 0.353 -15.328 -16.215 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -2.555 -17.786 -18.201 1.00 0.00 H new ATOM 0 HH TYR A 121 -0.082 -17.585 -15.710 1.00 0.00 H new ATOM 1407 N LEU A 122 -0.729 -11.123 -18.247 1.00 0.00 N ATOM 1408 CA LEU A 122 0.457 -10.655 -17.551 1.00 0.00 C ATOM 1409 C LEU A 122 0.247 -10.806 -16.056 1.00 0.00 C ATOM 1410 O LEU A 122 -0.728 -10.302 -15.503 1.00 0.00 O ATOM 1411 CB LEU A 122 0.722 -9.185 -17.900 1.00 0.00 C ATOM 1412 CG LEU A 122 1.911 -8.654 -17.091 1.00 0.00 C ATOM 1413 CD1 LEU A 122 3.209 -9.291 -17.589 1.00 0.00 C ATOM 1414 CD2 LEU A 122 1.997 -7.131 -17.253 1.00 0.00 C ATOM 0 H LEU A 122 -1.604 -10.721 -17.912 1.00 0.00 H new ATOM 0 HA LEU A 122 1.319 -11.247 -17.858 1.00 0.00 H new ATOM 0 HB2 LEU A 122 0.926 -9.088 -18.966 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -0.166 -8.588 -17.690 1.00 0.00 H new ATOM 0 HG LEU A 122 1.769 -8.906 -16.040 1.00 0.00 H new ATOM 0 HD11 LEU A 122 4.048 -8.908 -17.009 1.00 0.00 H new ATOM 0 HD12 LEU A 122 3.151 -10.373 -17.473 1.00 0.00 H new ATOM 0 HD13 LEU A 122 3.354 -9.047 -18.641 1.00 0.00 H new ATOM 0 HD21 LEU A 122 2.842 -6.751 -16.679 1.00 0.00 H new ATOM 0 HD22 LEU A 122 2.134 -6.884 -18.306 1.00 0.00 H new ATOM 0 HD23 LEU A 122 1.076 -6.674 -16.890 1.00 0.00 H new ATOM 1426 N GLU A 123 1.161 -11.511 -15.409 1.00 0.00 N ATOM 1427 CA GLU A 123 1.067 -11.732 -13.975 1.00 0.00 C ATOM 1428 C GLU A 123 2.316 -11.183 -13.307 1.00 0.00 C ATOM 1429 O GLU A 123 3.435 -11.501 -13.711 1.00 0.00 O ATOM 1430 CB GLU A 123 0.919 -13.232 -13.710 1.00 0.00 C ATOM 1431 CG GLU A 123 0.715 -13.493 -12.218 1.00 0.00 C ATOM 1432 CD GLU A 123 0.565 -14.993 -11.980 1.00 0.00 C ATOM 1433 OE1 GLU A 123 0.451 -15.716 -12.956 1.00 0.00 O ATOM 1434 OE2 GLU A 123 0.551 -15.396 -10.828 1.00 0.00 O ATOM 0 H GLU A 123 1.974 -11.939 -15.852 1.00 0.00 H new ATOM 0 HA GLU A 123 0.198 -11.219 -13.564 1.00 0.00 H new ATOM 0 HB2 GLU A 123 0.073 -13.625 -14.273 1.00 0.00 H new ATOM 0 HB3 GLU A 123 1.807 -13.759 -14.060 1.00 0.00 H new ATOM 0 HG2 GLU A 123 1.562 -13.107 -11.651 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -0.172 -12.967 -11.864 1.00 0.00 H new ATOM 1441 N VAL A 124 2.131 -10.317 -12.313 1.00 0.00 N ATOM 1442 CA VAL A 124 3.284 -9.707 -11.654 1.00 0.00 C ATOM 1443 C VAL A 124 3.202 -9.793 -10.132 1.00 0.00 C ATOM 1444 O VAL A 124 2.223 -9.357 -9.523 1.00 0.00 O ATOM 1445 CB VAL A 124 3.377 -8.228 -12.066 1.00 0.00 C ATOM 1446 CG1 VAL A 124 4.677 -7.619 -11.534 1.00 0.00 C ATOM 1447 CG2 VAL A 124 3.349 -8.097 -13.595 1.00 0.00 C ATOM 0 H VAL A 124 1.221 -10.028 -11.954 1.00 0.00 H new ATOM 0 HA VAL A 124 4.169 -10.259 -11.969 1.00 0.00 H new ATOM 0 HB VAL A 124 2.523 -7.698 -11.644 1.00 0.00 H new ATOM 0 HG11 VAL A 124 4.736 -6.572 -11.830 1.00 0.00 H new ATOM 0 HG12 VAL A 124 4.694 -7.691 -10.446 1.00 0.00 H new ATOM 0 HG13 VAL A 124 5.528 -8.161 -11.947 1.00 0.00 H new ATOM 0 HG21 VAL A 124 3.416 -7.045 -13.871 1.00 0.00 H new ATOM 0 HG22 VAL A 124 4.193 -8.638 -14.022 1.00 0.00 H new ATOM 0 HG23 VAL A 124 2.418 -8.515 -13.979 1.00 0.00 H new ATOM 1457 N GLN A 125 4.250 -10.360 -9.528 1.00 0.00 N ATOM 1458 CA GLN A 125 4.316 -10.495 -8.080 1.00 0.00 C ATOM 1459 C GLN A 125 5.306 -9.480 -7.526 1.00 0.00 C ATOM 1460 O GLN A 125 6.445 -9.398 -7.988 1.00 0.00 O ATOM 1461 CB GLN A 125 4.770 -11.908 -7.699 1.00 0.00 C ATOM 1462 CG GLN A 125 3.697 -12.917 -8.105 1.00 0.00 C ATOM 1463 CD GLN A 125 4.137 -13.686 -9.343 1.00 0.00 C ATOM 1464 OE1 GLN A 125 5.331 -13.784 -9.627 1.00 0.00 O ATOM 1465 NE2 GLN A 125 3.234 -14.242 -10.101 1.00 0.00 N ATOM 0 H GLN A 125 5.061 -10.731 -10.023 1.00 0.00 H new ATOM 0 HA GLN A 125 3.326 -10.316 -7.660 1.00 0.00 H new ATOM 0 HB2 GLN A 125 5.712 -12.144 -8.194 1.00 0.00 H new ATOM 0 HB3 GLN A 125 4.951 -11.966 -6.626 1.00 0.00 H new ATOM 0 HG2 GLN A 125 3.511 -13.610 -7.285 1.00 0.00 H new ATOM 0 HG3 GLN A 125 2.758 -12.400 -8.304 1.00 0.00 H new ATOM 0 HE21 GLN A 125 2.246 -14.158 -9.862 1.00 0.00 H new ATOM 0 HE22 GLN A 125 3.516 -14.761 -10.933 1.00 0.00 H new ATOM 1474 N TYR A 126 4.868 -8.701 -6.545 1.00 0.00 N ATOM 1475 CA TYR A 126 5.731 -7.691 -5.961 1.00 0.00 C ATOM 1476 C TYR A 126 5.363 -7.419 -4.509 1.00 0.00 C ATOM 1477 O TYR A 126 4.336 -7.879 -4.012 1.00 0.00 O ATOM 1478 CB TYR A 126 5.618 -6.395 -6.766 1.00 0.00 C ATOM 1479 CG TYR A 126 4.286 -5.746 -6.485 1.00 0.00 C ATOM 1480 CD1 TYR A 126 3.153 -6.123 -7.220 1.00 0.00 C ATOM 1481 CD2 TYR A 126 4.183 -4.763 -5.497 1.00 0.00 C ATOM 1482 CE1 TYR A 126 1.918 -5.516 -6.964 1.00 0.00 C ATOM 1483 CE2 TYR A 126 2.949 -4.155 -5.240 1.00 0.00 C ATOM 1484 CZ TYR A 126 1.818 -4.530 -5.972 1.00 0.00 C ATOM 1485 OH TYR A 126 0.605 -3.931 -5.718 1.00 0.00 O ATOM 0 H TYR A 126 3.932 -8.750 -6.143 1.00 0.00 H new ATOM 0 HA TYR A 126 6.755 -8.062 -5.989 1.00 0.00 H new ATOM 0 HB2 TYR A 126 6.429 -5.717 -6.500 1.00 0.00 H new ATOM 0 HB3 TYR A 126 5.715 -6.606 -7.831 1.00 0.00 H new ATOM 0 HD1 TYR A 126 3.233 -6.882 -7.984 1.00 0.00 H new ATOM 0 HD2 TYR A 126 5.056 -4.472 -4.932 1.00 0.00 H new ATOM 0 HE1 TYR A 126 1.045 -5.806 -7.529 1.00 0.00 H new ATOM 0 HE2 TYR A 126 2.870 -3.396 -4.476 1.00 0.00 H new ATOM 0 HH TYR A 126 0.710 -3.271 -5.001 1.00 0.00 H new ATOM 1495 N ASP A 127 6.220 -6.661 -3.837 1.00 0.00 N ATOM 1496 CA ASP A 127 5.999 -6.317 -2.437 1.00 0.00 C ATOM 1497 C ASP A 127 6.089 -4.805 -2.249 1.00 0.00 C ATOM 1498 O ASP A 127 6.706 -4.110 -3.057 1.00 0.00 O ATOM 1499 CB ASP A 127 7.066 -6.982 -1.567 1.00 0.00 C ATOM 1500 CG ASP A 127 6.898 -8.496 -1.569 1.00 0.00 C ATOM 1501 OD1 ASP A 127 5.949 -8.965 -2.168 1.00 0.00 O ATOM 1502 OD2 ASP A 127 7.729 -9.165 -0.975 1.00 0.00 O ATOM 0 H ASP A 127 7.074 -6.273 -4.238 1.00 0.00 H new ATOM 0 HA ASP A 127 5.008 -6.666 -2.145 1.00 0.00 H new ATOM 0 HB2 ASP A 127 8.058 -6.721 -1.937 1.00 0.00 H new ATOM 0 HB3 ASP A 127 6.997 -6.605 -0.547 1.00 0.00 H new ATOM 1507 N CYS A 128 5.499 -4.298 -1.168 1.00 0.00 N ATOM 1508 CA CYS A 128 5.561 -2.874 -0.887 1.00 0.00 C ATOM 1509 C CYS A 128 6.491 -2.632 0.298 1.00 0.00 C ATOM 1510 O CYS A 128 6.212 -3.068 1.415 1.00 0.00 O ATOM 1511 CB CYS A 128 4.162 -2.344 -0.572 1.00 0.00 C ATOM 1512 SG CYS A 128 3.142 -2.436 -2.066 1.00 0.00 S ATOM 0 H CYS A 128 4.980 -4.848 -0.483 1.00 0.00 H new ATOM 0 HA CYS A 128 5.946 -2.348 -1.761 1.00 0.00 H new ATOM 0 HB2 CYS A 128 3.710 -2.929 0.229 1.00 0.00 H new ATOM 0 HB3 CYS A 128 4.221 -1.314 -0.220 1.00 0.00 H new ATOM 1517 N VAL A 129 7.607 -1.950 0.047 1.00 0.00 N ATOM 1518 CA VAL A 129 8.572 -1.676 1.113 1.00 0.00 C ATOM 1519 C VAL A 129 8.720 -0.168 1.344 1.00 0.00 C ATOM 1520 O VAL A 129 8.414 0.626 0.455 1.00 0.00 O ATOM 1521 CB VAL A 129 9.937 -2.264 0.749 1.00 0.00 C ATOM 1522 CG1 VAL A 129 9.907 -3.786 0.901 1.00 0.00 C ATOM 1523 CG2 VAL A 129 10.267 -1.899 -0.697 1.00 0.00 C ATOM 0 H VAL A 129 7.864 -1.582 -0.869 1.00 0.00 H new ATOM 0 HA VAL A 129 8.202 -2.139 2.028 1.00 0.00 H new ATOM 0 HB VAL A 129 10.698 -1.858 1.416 1.00 0.00 H new ATOM 0 HG11 VAL A 129 10.882 -4.197 0.640 1.00 0.00 H new ATOM 0 HG12 VAL A 129 9.669 -4.044 1.933 1.00 0.00 H new ATOM 0 HG13 VAL A 129 9.149 -4.203 0.238 1.00 0.00 H new ATOM 0 HG21 VAL A 129 11.239 -2.314 -0.964 1.00 0.00 H new ATOM 0 HG22 VAL A 129 9.503 -2.307 -1.359 1.00 0.00 H new ATOM 0 HG23 VAL A 129 10.295 -0.814 -0.801 1.00 0.00 H new ATOM 1533 N PRO A 130 9.184 0.244 2.505 1.00 0.00 N ATOM 1534 CA PRO A 130 9.372 1.696 2.822 1.00 0.00 C ATOM 1535 C PRO A 130 10.409 2.368 1.925 1.00 0.00 C ATOM 1536 O PRO A 130 11.375 1.737 1.497 1.00 0.00 O ATOM 1537 CB PRO A 130 9.861 1.710 4.275 1.00 0.00 C ATOM 1538 CG PRO A 130 9.583 0.351 4.824 1.00 0.00 C ATOM 1539 CD PRO A 130 9.573 -0.610 3.640 1.00 0.00 C ATOM 0 HA PRO A 130 8.446 2.248 2.664 1.00 0.00 H new ATOM 0 HB2 PRO A 130 10.926 1.939 4.325 1.00 0.00 H new ATOM 0 HB3 PRO A 130 9.343 2.476 4.852 1.00 0.00 H new ATOM 0 HG2 PRO A 130 10.345 0.064 5.548 1.00 0.00 H new ATOM 0 HG3 PRO A 130 8.625 0.333 5.344 1.00 0.00 H new ATOM 0 HD2 PRO A 130 10.552 -1.064 3.484 1.00 0.00 H new ATOM 0 HD3 PRO A 130 8.864 -1.424 3.790 1.00 0.00 H new ATOM 1547 N TYR A 131 10.216 3.658 1.669 1.00 0.00 N ATOM 1548 CA TYR A 131 11.160 4.406 0.845 1.00 0.00 C ATOM 1549 C TYR A 131 12.405 4.761 1.654 1.00 0.00 C ATOM 1550 O TYR A 131 13.216 5.584 1.232 1.00 0.00 O ATOM 1551 CB TYR A 131 10.526 5.688 0.295 1.00 0.00 C ATOM 1552 CG TYR A 131 11.492 6.321 -0.680 1.00 0.00 C ATOM 1553 CD1 TYR A 131 11.576 5.840 -1.994 1.00 0.00 C ATOM 1554 CD2 TYR A 131 12.322 7.370 -0.267 1.00 0.00 C ATOM 1555 CE1 TYR A 131 12.487 6.410 -2.893 1.00 0.00 C ATOM 1556 CE2 TYR A 131 13.236 7.937 -1.165 1.00 0.00 C ATOM 1557 CZ TYR A 131 13.319 7.458 -2.477 1.00 0.00 C ATOM 1558 OH TYR A 131 14.222 8.015 -3.360 1.00 0.00 O ATOM 0 H TYR A 131 9.425 4.202 2.015 1.00 0.00 H new ATOM 0 HA TYR A 131 11.440 3.770 0.005 1.00 0.00 H new ATOM 0 HB2 TYR A 131 9.582 5.461 -0.200 1.00 0.00 H new ATOM 0 HB3 TYR A 131 10.302 6.378 1.108 1.00 0.00 H new ATOM 0 HD1 TYR A 131 10.938 5.029 -2.314 1.00 0.00 H new ATOM 0 HD2 TYR A 131 12.258 7.743 0.745 1.00 0.00 H new ATOM 0 HE1 TYR A 131 12.548 6.042 -3.906 1.00 0.00 H new ATOM 0 HE2 TYR A 131 13.877 8.745 -0.844 1.00 0.00 H new ATOM 0 HH TYR A 131 14.720 8.730 -2.911 1.00 0.00 H new ATOM 1568 N LYS A 132 12.551 4.138 2.822 1.00 0.00 N ATOM 1569 CA LYS A 132 13.709 4.406 3.675 1.00 0.00 C ATOM 1570 C LYS A 132 14.844 3.438 3.341 1.00 0.00 C ATOM 1571 O LYS A 132 14.631 2.442 2.649 1.00 0.00 O ATOM 1572 CB LYS A 132 13.325 4.279 5.155 1.00 0.00 C ATOM 1573 CG LYS A 132 12.135 5.197 5.473 1.00 0.00 C ATOM 1574 CD LYS A 132 12.550 6.665 5.326 1.00 0.00 C ATOM 1575 CE LYS A 132 11.434 7.567 5.860 1.00 0.00 C ATOM 1576 NZ LYS A 132 12.033 8.725 6.584 1.00 0.00 N ATOM 0 H LYS A 132 11.893 3.454 3.196 1.00 0.00 H new ATOM 0 HA LYS A 132 14.048 5.425 3.490 1.00 0.00 H new ATOM 0 HB2 LYS A 132 13.068 3.245 5.384 1.00 0.00 H new ATOM 0 HB3 LYS A 132 14.176 4.543 5.783 1.00 0.00 H new ATOM 0 HG2 LYS A 132 11.305 4.976 4.801 1.00 0.00 H new ATOM 0 HG3 LYS A 132 11.782 5.010 6.487 1.00 0.00 H new ATOM 0 HD2 LYS A 132 13.474 6.849 5.873 1.00 0.00 H new ATOM 0 HD3 LYS A 132 12.748 6.895 4.279 1.00 0.00 H new ATOM 0 HE2 LYS A 132 10.813 7.921 5.037 1.00 0.00 H new ATOM 0 HE3 LYS A 132 10.785 7.003 6.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 11.275 9.338 6.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 12.608 8.378 7.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 12.635 9.268 5.933 1.00 0.00 H new ATOM 1590 N VAL A 133 16.051 3.743 3.815 1.00 0.00 N ATOM 1591 CA VAL A 133 17.207 2.891 3.535 1.00 0.00 C ATOM 1592 C VAL A 133 17.381 1.822 4.601 1.00 0.00 C ATOM 1593 O VAL A 133 17.273 2.097 5.798 1.00 0.00 O ATOM 1594 CB VAL A 133 18.492 3.718 3.478 1.00 0.00 C ATOM 1595 CG1 VAL A 133 19.659 2.799 3.111 1.00 0.00 C ATOM 1596 CG2 VAL A 133 18.362 4.818 2.424 1.00 0.00 C ATOM 0 H VAL A 133 16.254 4.563 4.387 1.00 0.00 H new ATOM 0 HA VAL A 133 17.021 2.418 2.571 1.00 0.00 H new ATOM 0 HB VAL A 133 18.669 4.178 4.450 1.00 0.00 H new ATOM 0 HG11 VAL A 133 20.580 3.380 3.068 1.00 0.00 H new ATOM 0 HG12 VAL A 133 19.758 2.018 3.865 1.00 0.00 H new ATOM 0 HG13 VAL A 133 19.472 2.344 2.139 1.00 0.00 H new ATOM 0 HG21 VAL A 133 19.282 5.401 2.391 1.00 0.00 H new ATOM 0 HG22 VAL A 133 18.183 4.367 1.448 1.00 0.00 H new ATOM 0 HG23 VAL A 133 17.528 5.471 2.680 1.00 0.00 H new ATOM 1606 N GLU A 134 17.677 0.605 4.159 1.00 0.00 N ATOM 1607 CA GLU A 134 17.892 -0.495 5.084 1.00 0.00 C ATOM 1608 C GLU A 134 16.678 -0.688 5.984 1.00 0.00 C ATOM 1609 O GLU A 134 15.908 -1.591 5.717 1.00 0.00 O ATOM 1610 CB GLU A 134 19.126 -0.202 5.938 1.00 0.00 C ATOM 1611 CG GLU A 134 19.399 -1.383 6.871 1.00 0.00 C ATOM 1612 CD GLU A 134 20.024 -2.533 6.090 1.00 0.00 C ATOM 1613 OE1 GLU A 134 20.624 -2.268 5.059 1.00 0.00 O ATOM 1614 OE2 GLU A 134 19.899 -3.660 6.535 1.00 0.00 O ATOM 1615 OXT GLU A 134 16.538 0.073 6.930 1.00 0.00 O ATOM 0 H GLU A 134 17.772 0.359 3.174 1.00 0.00 H new ATOM 0 HA GLU A 134 18.045 -1.411 4.513 1.00 0.00 H new ATOM 0 HB2 GLU A 134 19.990 -0.025 5.297 1.00 0.00 H new ATOM 0 HB3 GLU A 134 18.970 0.706 6.521 1.00 0.00 H new ATOM 0 HG2 GLU A 134 20.066 -1.074 7.676 1.00 0.00 H new ATOM 0 HG3 GLU A 134 18.470 -1.712 7.336 1.00 0.00 H new TER 1622 GLU A 134 HETATM 1623 C1 NAG A 135 15.659 1.634 -5.736 1.00 0.00 C HETATM 1624 C2 NAG A 135 16.677 1.252 -6.773 1.00 0.00 C HETATM 1625 C3 NAG A 135 17.802 0.491 -6.119 1.00 0.00 C HETATM 1626 C4 NAG A 135 18.427 1.342 -5.047 1.00 0.00 C HETATM 1627 C5 NAG A 135 17.365 1.791 -4.058 1.00 0.00 C HETATM 1628 C6 NAG A 135 17.916 2.783 -3.036 1.00 0.00 C HETATM 1629 C7 NAG A 135 16.096 0.834 -9.087 1.00 0.00 C HETATM 1630 C8 NAG A 135 15.453 -0.047 -10.129 1.00 0.00 C HETATM 1631 N2 NAG A 135 16.057 0.424 -7.821 1.00 0.00 N HETATM 1632 O3 NAG A 135 18.781 0.138 -7.106 1.00 0.00 O HETATM 1633 O4 NAG A 135 19.440 0.588 -4.365 1.00 0.00 O HETATM 1634 O5 NAG A 135 16.267 2.439 -4.745 1.00 0.00 O HETATM 1635 O6 NAG A 135 18.242 2.137 -1.795 1.00 0.00 O HETATM 1636 O7 NAG A 135 16.632 1.887 -9.426 1.00 0.00 O HETATM 0 HO6 NAG A 135 18.593 2.799 -1.164 1.00 0.00 H new HETATM 0 HO4 NAG A 135 19.954 1.184 -3.782 1.00 0.00 H new HETATM 0 HO3 NAG A 135 19.513 -0.355 -6.679 1.00 0.00 H new HETATM 0 HN2 NAG A 135 15.602 -0.456 -7.579 1.00 0.00 H new HETATM 0 H83 NAG A 135 15.938 -1.023 -10.130 1.00 0.00 H new HETATM 0 H82 NAG A 135 14.394 -0.168 -9.900 1.00 0.00 H new HETATM 0 H81 NAG A 135 15.562 0.413 -11.111 1.00 0.00 H new HETATM 0 H62 NAG A 135 18.806 3.266 -3.440 1.00 0.00 H new HETATM 0 H61 NAG A 135 17.181 3.567 -2.856 1.00 0.00 H new HETATM 0 H5 NAG A 135 17.026 0.891 -3.546 1.00 0.00 H new HETATM 0 H4 NAG A 135 18.879 2.222 -5.505 1.00 0.00 H new HETATM 0 H3 NAG A 135 17.413 -0.421 -5.666 1.00 0.00 H new HETATM 0 H2 NAG A 135 17.070 2.159 -7.233 1.00 0.00 H new