USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 817 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 HIS : no HE2:sc= -1.16 K(o=-3.2,f=-23!) USER MOD Set 1.2: A 80 MET CE :methyl 164:sc= -1.99 (180deg=0) USER MOD Set 2.1: A 63 ASN : amide:sc= -4.3! C(o=-12!,f=-12!) USER MOD Set 2.2: A 74 TYR OH : rot 154:sc= -7.88! USER MOD Set 3.1: A 40 SER OG : rot -70:sc= 0.321 USER MOD Set 3.2: A 52 ASN : amide:sc= -0.748 K(o=-0.073,f=-3.5!) USER MOD Set 3.3: A 56 ASN :FLIP amide:sc= 0.354 F(o=-5.5!,f=-0.073) USER MOD Set 4.1: A 22 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.113) USER MOD Set 4.2: A 33 HIS : no HE2:sc= -1.03 K(o=-1,f=-2.9!) USER MOD Set 5.1: A 19 THR OG1 : rot -83:sc= 1.19 USER MOD Set 5.2: A 31 ASN :FLIP amide:sc= -2.61! C(o=-5.7!,f=-1.4!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -50:sc= 0.549 USER MOD Single : A -2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -3 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -21:sc= 0.848 USER MOD Single : A 14 CYS SG : rot -95:sc= -3.22! USER MOD Single : A 16 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 17 CYS SG : rot 180:sc= -0.653 USER MOD Single : A 18 HIS : no HE2:sc= -1.25 K(o=-1.3,f=-9.6!) USER MOD Single : A 26 HIS : no HD1:sc= 0.0426 K(o=0.043,f=-1.8) USER MOD Single : A 27 LYS NZ :NH3+ 158:sc= -0.0477 (180deg=-0.474) USER MOD Single : A 39 HIS : no HD1:sc= -1.03 K(o=-1,f=-2!) USER MOD Single : A 42 GLN :FLIP amide:sc= -2.94! C(o=-11!,f=-2.9!) USER MOD Single : A 46 TYR OH : rot 107:sc= 1.2 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 30:sc= -0.583 USER MOD Single : A 49 THR OG1 : rot -130:sc= -1.24 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 168:sc= 0.776 (180deg=0.713) USER MOD Single : A 62 ASN : amide:sc= -1.61! C(o=-1.6!,f=-8.2!) USER MOD Single : A 64 MET CE :methyl 148:sc= -2.14 (180deg=-4.96) USER MOD Single : A 65 SER OG : rot -62:sc= 1.04 USER MOD Single : A 69 THR OG1 : rot 102:sc= -4.59! USER MOD Single : A 70 ASN : amide:sc= -0.724 K(o=-0.72,f=-2.2) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc=-0.00257 USER MOD Single : A 79 LYS NZ :NH3+ -135:sc= -0.137 (180deg=-0.824) USER MOD Single : A 86 LYS NZ :NH3+ -113:sc= -1.36 (180deg=-3.69!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= 0.0984 K(o=0.098,f=-1.1) USER MOD Single : A 96 THR OG1 : rot 73:sc= 0.654 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -171:sc= -1.52! (180deg=-1.72!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 32 N PHE A -3 -14.719 -5.974 2.449 1.00 0.00 N ATOM 33 CA PHE A -3 -13.919 -5.592 3.647 1.00 0.00 C ATOM 34 C PHE A -3 -14.622 -6.090 4.911 1.00 0.00 C ATOM 35 O PHE A -3 -15.801 -5.873 5.104 1.00 0.00 O ATOM 36 CB PHE A -3 -13.794 -4.069 3.714 1.00 0.00 C ATOM 37 CG PHE A -3 -12.895 -3.687 4.867 1.00 0.00 C ATOM 38 CD1 PHE A -3 -13.408 -3.649 6.169 1.00 0.00 C ATOM 39 CD2 PHE A -3 -11.551 -3.370 4.633 1.00 0.00 C ATOM 40 CE1 PHE A -3 -12.575 -3.294 7.239 1.00 0.00 C ATOM 41 CE2 PHE A -3 -10.721 -3.014 5.703 1.00 0.00 C ATOM 42 CZ PHE A -3 -11.234 -2.977 7.005 1.00 0.00 C ATOM 0 H1 PHE A -3 -14.241 -5.635 1.590 1.00 0.00 H new ATOM 0 H2 PHE A -3 -14.811 -7.009 2.409 1.00 0.00 H new ATOM 0 H3 PHE A -3 -15.664 -5.544 2.511 1.00 0.00 H new ATOM 0 HA PHE A -3 -12.928 -6.040 3.575 1.00 0.00 H new ATOM 0 HB2 PHE A -3 -13.386 -3.686 2.779 1.00 0.00 H new ATOM 0 HB3 PHE A -3 -14.778 -3.618 3.841 1.00 0.00 H new ATOM 0 HD1 PHE A -3 -14.445 -3.893 6.349 1.00 0.00 H new ATOM 0 HD2 PHE A -3 -11.155 -3.400 3.629 1.00 0.00 H new ATOM 0 HE1 PHE A -3 -12.969 -3.265 8.244 1.00 0.00 H new ATOM 0 HE2 PHE A -3 -9.685 -2.768 5.524 1.00 0.00 H new ATOM 0 HZ PHE A -3 -10.593 -2.703 7.830 1.00 0.00 H new ATOM 52 N LYS A -2 -13.903 -6.752 5.775 1.00 0.00 N ATOM 53 CA LYS A -2 -14.524 -7.259 7.029 1.00 0.00 C ATOM 54 C LYS A -2 -14.110 -6.361 8.194 1.00 0.00 C ATOM 55 O LYS A -2 -13.144 -5.628 8.111 1.00 0.00 O ATOM 56 CB LYS A -2 -14.045 -8.685 7.291 1.00 0.00 C ATOM 57 CG LYS A -2 -12.534 -8.676 7.531 1.00 0.00 C ATOM 58 CD LYS A -2 -12.031 -10.114 7.637 1.00 0.00 C ATOM 59 CE LYS A -2 -12.690 -10.793 8.837 1.00 0.00 C ATOM 60 NZ LYS A -2 -11.723 -11.728 9.474 1.00 0.00 N ATOM 0 H LYS A -2 -12.911 -6.964 5.666 1.00 0.00 H new ATOM 0 HA LYS A -2 -15.609 -7.253 6.930 1.00 0.00 H new ATOM 0 HB2 LYS A -2 -14.560 -9.100 8.157 1.00 0.00 H new ATOM 0 HB3 LYS A -2 -14.286 -9.324 6.441 1.00 0.00 H new ATOM 0 HG2 LYS A -2 -12.028 -8.161 6.715 1.00 0.00 H new ATOM 0 HG3 LYS A -2 -12.303 -8.129 8.445 1.00 0.00 H new ATOM 0 HD2 LYS A -2 -12.263 -10.661 6.723 1.00 0.00 H new ATOM 0 HD3 LYS A -2 -10.947 -10.125 7.749 1.00 0.00 H new ATOM 0 HE2 LYS A -2 -13.016 -10.043 9.558 1.00 0.00 H new ATOM 0 HE3 LYS A -2 -13.580 -11.336 8.517 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 -12.173 -12.189 10.290 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 -11.433 -12.450 8.784 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 -10.887 -11.198 9.793 1.00 0.00 H new ATOM 74 N ALA A -1 -14.827 -6.410 9.279 1.00 0.00 N ATOM 75 CA ALA A -1 -14.466 -5.557 10.446 1.00 0.00 C ATOM 76 C ALA A -1 -13.085 -5.960 10.959 1.00 0.00 C ATOM 77 O ALA A -1 -12.945 -6.894 11.724 1.00 0.00 O ATOM 78 CB ALA A -1 -15.497 -5.742 11.558 1.00 0.00 C ATOM 0 H ALA A -1 -15.647 -7.003 9.410 1.00 0.00 H new ATOM 0 HA ALA A -1 -14.452 -4.511 10.140 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -15.230 -5.117 12.410 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -16.483 -5.454 11.192 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -15.515 -6.787 11.867 1.00 0.00 H new ATOM 84 N GLY A 1 -12.062 -5.262 10.543 1.00 0.00 N ATOM 85 CA GLY A 1 -10.685 -5.601 11.002 1.00 0.00 C ATOM 86 C GLY A 1 -10.167 -4.497 11.922 1.00 0.00 C ATOM 87 O GLY A 1 -10.765 -3.445 12.042 1.00 0.00 O ATOM 0 H GLY A 1 -12.122 -4.470 9.903 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.691 -6.555 11.529 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.022 -5.715 10.144 1.00 0.00 H new ATOM 91 N SER A 2 -9.055 -4.723 12.571 1.00 0.00 N ATOM 92 CA SER A 2 -8.495 -3.684 13.482 1.00 0.00 C ATOM 93 C SER A 2 -7.206 -3.125 12.877 1.00 0.00 C ATOM 94 O SER A 2 -6.331 -3.861 12.466 1.00 0.00 O ATOM 95 CB SER A 2 -8.188 -4.310 14.842 1.00 0.00 C ATOM 96 OG SER A 2 -7.761 -3.296 15.741 1.00 0.00 O ATOM 0 H SER A 2 -8.511 -5.583 12.509 1.00 0.00 H new ATOM 0 HA SER A 2 -9.220 -2.880 13.609 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.074 -4.809 15.234 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.413 -5.070 14.739 1.00 0.00 H new ATOM 0 HG SER A 2 -7.565 -3.695 16.615 1.00 0.00 H new ATOM 102 N ALA A 3 -7.084 -1.829 12.817 1.00 0.00 N ATOM 103 CA ALA A 3 -5.856 -1.217 12.237 1.00 0.00 C ATOM 104 C ALA A 3 -4.689 -1.352 13.219 1.00 0.00 C ATOM 105 O ALA A 3 -3.540 -1.233 12.846 1.00 0.00 O ATOM 106 CB ALA A 3 -6.112 0.263 11.952 1.00 0.00 C ATOM 0 H ALA A 3 -7.784 -1.164 13.146 1.00 0.00 H new ATOM 0 HA ALA A 3 -5.604 -1.732 11.310 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.214 0.712 11.528 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -6.936 0.360 11.245 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -6.369 0.773 12.880 1.00 0.00 H new ATOM 112 N LYS A 4 -4.972 -1.580 14.472 1.00 0.00 N ATOM 113 CA LYS A 4 -3.871 -1.697 15.470 1.00 0.00 C ATOM 114 C LYS A 4 -2.891 -2.795 15.046 1.00 0.00 C ATOM 115 O LYS A 4 -1.692 -2.588 15.017 1.00 0.00 O ATOM 116 CB LYS A 4 -4.461 -2.047 16.838 1.00 0.00 C ATOM 117 CG LYS A 4 -3.354 -2.026 17.894 1.00 0.00 C ATOM 118 CD LYS A 4 -3.934 -2.436 19.250 1.00 0.00 C ATOM 119 CE LYS A 4 -2.869 -2.260 20.334 1.00 0.00 C ATOM 120 NZ LYS A 4 -3.495 -2.427 21.676 1.00 0.00 N ATOM 0 H LYS A 4 -5.914 -1.690 14.847 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.340 -0.747 15.527 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -5.243 -1.334 17.101 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -4.926 -3.032 16.804 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -2.552 -2.707 17.609 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -2.918 -1.029 17.959 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -4.809 -1.828 19.482 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -4.266 -3.474 19.217 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -2.072 -2.992 20.199 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -2.413 -1.273 20.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -2.772 -2.308 22.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -4.240 -1.713 21.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -3.911 -3.378 21.749 1.00 0.00 H new ATOM 134 N LYS A 5 -3.379 -3.959 14.715 1.00 0.00 N ATOM 135 CA LYS A 5 -2.456 -5.050 14.293 1.00 0.00 C ATOM 136 C LYS A 5 -1.733 -4.632 13.012 1.00 0.00 C ATOM 137 O LYS A 5 -0.531 -4.754 12.893 1.00 0.00 O ATOM 138 CB LYS A 5 -3.256 -6.327 14.031 1.00 0.00 C ATOM 139 CG LYS A 5 -3.893 -6.808 15.337 1.00 0.00 C ATOM 140 CD LYS A 5 -4.597 -8.146 15.099 1.00 0.00 C ATOM 141 CE LYS A 5 -5.334 -8.570 16.369 1.00 0.00 C ATOM 142 NZ LYS A 5 -5.392 -10.057 16.439 1.00 0.00 N ATOM 0 H LYS A 5 -4.370 -4.201 14.718 1.00 0.00 H new ATOM 0 HA LYS A 5 -1.728 -5.236 15.082 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.028 -6.138 13.285 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -2.604 -7.101 13.626 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -3.130 -6.919 16.107 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -4.607 -6.069 15.700 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -5.300 -8.056 14.271 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.869 -8.907 14.818 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -4.824 -8.174 17.247 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -6.342 -8.156 16.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -5.894 -10.345 17.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -5.897 -10.424 15.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -4.426 -10.442 16.455 1.00 0.00 H new ATOM 156 N GLY A 6 -2.464 -4.135 12.053 1.00 0.00 N ATOM 157 CA GLY A 6 -1.835 -3.699 10.776 1.00 0.00 C ATOM 158 C GLY A 6 -0.953 -2.474 11.023 1.00 0.00 C ATOM 159 O GLY A 6 0.006 -2.237 10.316 1.00 0.00 O ATOM 0 H GLY A 6 -3.475 -4.012 12.100 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -1.238 -4.510 10.359 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -2.606 -3.461 10.043 1.00 0.00 H new ATOM 163 N ALA A 7 -1.274 -1.684 12.012 1.00 0.00 N ATOM 164 CA ALA A 7 -0.460 -0.468 12.289 1.00 0.00 C ATOM 165 C ALA A 7 0.995 -0.863 12.540 1.00 0.00 C ATOM 166 O ALA A 7 1.911 -0.249 12.029 1.00 0.00 O ATOM 167 CB ALA A 7 -1.009 0.246 13.526 1.00 0.00 C ATOM 0 H ALA A 7 -2.065 -1.829 12.640 1.00 0.00 H new ATOM 0 HA ALA A 7 -0.511 0.198 11.428 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -0.412 1.136 13.727 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -2.045 0.536 13.349 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -0.962 -0.425 14.384 1.00 0.00 H new ATOM 173 N THR A 8 1.219 -1.883 13.319 1.00 0.00 N ATOM 174 CA THR A 8 2.617 -2.308 13.593 1.00 0.00 C ATOM 175 C THR A 8 3.220 -2.917 12.328 1.00 0.00 C ATOM 176 O THR A 8 4.375 -2.702 12.015 1.00 0.00 O ATOM 177 CB THR A 8 2.618 -3.345 14.716 1.00 0.00 C ATOM 178 OG1 THR A 8 1.956 -4.521 14.273 1.00 0.00 O ATOM 179 CG2 THR A 8 1.895 -2.778 15.938 1.00 0.00 C ATOM 0 H THR A 8 0.496 -2.439 13.776 1.00 0.00 H new ATOM 0 HA THR A 8 3.211 -1.446 13.896 1.00 0.00 H new ATOM 0 HB THR A 8 3.646 -3.587 14.986 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.087 -4.282 13.888 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.897 -3.519 16.738 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.406 -1.877 16.277 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.867 -2.534 15.672 1.00 0.00 H new ATOM 187 N LEU A 9 2.448 -3.665 11.583 1.00 0.00 N ATOM 188 CA LEU A 9 2.992 -4.265 10.334 1.00 0.00 C ATOM 189 C LEU A 9 3.462 -3.128 9.432 1.00 0.00 C ATOM 190 O LEU A 9 4.504 -3.194 8.810 1.00 0.00 O ATOM 191 CB LEU A 9 1.898 -5.063 9.623 1.00 0.00 C ATOM 192 CG LEU A 9 2.501 -5.813 8.434 1.00 0.00 C ATOM 193 CD1 LEU A 9 3.057 -7.155 8.907 1.00 0.00 C ATOM 194 CD2 LEU A 9 1.420 -6.053 7.379 1.00 0.00 C ATOM 0 H LEU A 9 1.472 -3.884 11.785 1.00 0.00 H new ATOM 0 HA LEU A 9 3.819 -4.936 10.566 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.439 -5.768 10.316 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.109 -4.393 9.281 1.00 0.00 H new ATOM 0 HG LEU A 9 3.305 -5.218 8.001 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.487 -7.690 8.060 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.828 -6.985 9.658 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.253 -7.749 9.341 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.850 -6.587 6.532 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.615 -6.647 7.812 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.023 -5.096 7.040 1.00 0.00 H new ATOM 206 N PHE A 10 2.696 -2.075 9.376 1.00 0.00 N ATOM 207 CA PHE A 10 3.080 -0.907 8.541 1.00 0.00 C ATOM 208 C PHE A 10 4.388 -0.332 9.083 1.00 0.00 C ATOM 209 O PHE A 10 5.313 -0.044 8.349 1.00 0.00 O ATOM 210 CB PHE A 10 1.972 0.147 8.642 1.00 0.00 C ATOM 211 CG PHE A 10 2.257 1.293 7.703 1.00 0.00 C ATOM 212 CD1 PHE A 10 1.849 1.223 6.366 1.00 0.00 C ATOM 213 CD2 PHE A 10 2.920 2.431 8.174 1.00 0.00 C ATOM 214 CE1 PHE A 10 2.110 2.291 5.500 1.00 0.00 C ATOM 215 CE2 PHE A 10 3.180 3.497 7.308 1.00 0.00 C ATOM 216 CZ PHE A 10 2.776 3.428 5.970 1.00 0.00 C ATOM 0 H PHE A 10 1.814 -1.974 9.878 1.00 0.00 H new ATOM 0 HA PHE A 10 3.213 -1.202 7.500 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.009 -0.302 8.398 1.00 0.00 H new ATOM 0 HB3 PHE A 10 1.902 0.515 9.666 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.334 0.346 6.003 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.231 2.486 9.207 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.797 2.237 4.468 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.693 4.375 7.672 1.00 0.00 H new ATOM 0 HZ PHE A 10 2.978 4.251 5.301 1.00 0.00 H new ATOM 226 N LYS A 11 4.461 -0.169 10.375 1.00 0.00 N ATOM 227 CA LYS A 11 5.691 0.383 11.006 1.00 0.00 C ATOM 228 C LYS A 11 6.869 -0.571 10.779 1.00 0.00 C ATOM 229 O LYS A 11 7.990 -0.153 10.568 1.00 0.00 O ATOM 230 CB LYS A 11 5.456 0.527 12.511 1.00 0.00 C ATOM 231 CG LYS A 11 6.588 1.349 13.129 1.00 0.00 C ATOM 232 CD LYS A 11 6.385 1.439 14.644 1.00 0.00 C ATOM 233 CE LYS A 11 7.447 2.360 15.250 1.00 0.00 C ATOM 234 NZ LYS A 11 8.492 1.537 15.922 1.00 0.00 N ATOM 0 H LYS A 11 3.711 -0.398 11.028 1.00 0.00 H new ATOM 0 HA LYS A 11 5.919 1.352 10.562 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.498 1.013 12.695 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.410 -0.457 12.978 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.550 0.887 12.907 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.606 2.348 12.694 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.388 1.821 14.866 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.452 0.447 15.090 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.898 2.975 14.471 1.00 0.00 H new ATOM 0 HE3 LYS A 11 6.988 3.040 15.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.214 2.162 16.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 8.055 0.969 16.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.937 0.905 15.226 1.00 0.00 H new ATOM 248 N THR A 12 6.622 -1.849 10.854 1.00 0.00 N ATOM 249 CA THR A 12 7.723 -2.840 10.683 1.00 0.00 C ATOM 250 C THR A 12 8.233 -2.869 9.238 1.00 0.00 C ATOM 251 O THR A 12 9.404 -3.086 9.000 1.00 0.00 O ATOM 252 CB THR A 12 7.208 -4.232 11.059 1.00 0.00 C ATOM 253 OG1 THR A 12 6.201 -4.626 10.137 1.00 0.00 O ATOM 254 CG2 THR A 12 6.623 -4.197 12.472 1.00 0.00 C ATOM 0 H THR A 12 5.701 -2.252 11.027 1.00 0.00 H new ATOM 0 HA THR A 12 8.549 -2.547 11.331 1.00 0.00 H new ATOM 0 HB THR A 12 8.031 -4.946 11.027 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.825 -3.831 9.704 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.257 -5.188 12.739 1.00 0.00 H new ATOM 0 HG22 THR A 12 7.396 -3.894 13.178 1.00 0.00 H new ATOM 0 HG23 THR A 12 5.799 -3.484 12.507 1.00 0.00 H new ATOM 262 N ARG A 13 7.381 -2.676 8.267 1.00 0.00 N ATOM 263 CA ARG A 13 7.868 -2.726 6.857 1.00 0.00 C ATOM 264 C ARG A 13 7.030 -1.816 5.956 1.00 0.00 C ATOM 265 O ARG A 13 6.441 -2.264 4.991 1.00 0.00 O ATOM 266 CB ARG A 13 7.778 -4.165 6.341 1.00 0.00 C ATOM 267 CG ARG A 13 8.760 -5.054 7.107 1.00 0.00 C ATOM 268 CD ARG A 13 8.783 -6.449 6.477 1.00 0.00 C ATOM 269 NE ARG A 13 9.434 -6.378 5.138 1.00 0.00 N ATOM 270 CZ ARG A 13 9.295 -7.362 4.292 1.00 0.00 C ATOM 271 NH1 ARG A 13 8.583 -8.405 4.615 1.00 0.00 N ATOM 272 NH2 ARG A 13 9.869 -7.301 3.121 1.00 0.00 N ATOM 0 H ARG A 13 6.385 -2.489 8.384 1.00 0.00 H new ATOM 0 HA ARG A 13 8.902 -2.381 6.836 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.762 -4.541 6.462 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.003 -4.193 5.275 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.758 -4.616 7.084 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.466 -5.121 8.154 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.325 -7.142 7.121 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.767 -6.833 6.380 1.00 0.00 H new ATOM 0 HE ARG A 13 9.988 -5.560 4.883 1.00 0.00 H new ATOM 0 HH11 ARG A 13 8.134 -8.453 5.530 1.00 0.00 H new ATOM 0 HH12 ARG A 13 8.475 -9.174 3.953 1.00 0.00 H new ATOM 0 HH21 ARG A 13 10.426 -6.485 2.868 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.761 -8.070 2.459 1.00 0.00 H new ATOM 286 N CYS A 14 6.981 -0.545 6.239 1.00 0.00 N ATOM 287 CA CYS A 14 6.191 0.371 5.368 1.00 0.00 C ATOM 288 C CYS A 14 6.457 1.825 5.762 1.00 0.00 C ATOM 289 O CYS A 14 6.783 2.649 4.935 1.00 0.00 O ATOM 290 CB CYS A 14 4.702 0.061 5.513 1.00 0.00 C ATOM 291 SG CYS A 14 3.836 0.556 3.998 1.00 0.00 S ATOM 0 H CYS A 14 7.450 -0.102 7.029 1.00 0.00 H new ATOM 0 HA CYS A 14 6.491 0.224 4.330 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.557 -1.003 5.697 1.00 0.00 H new ATOM 0 HB3 CYS A 14 4.290 0.592 6.371 1.00 0.00 H new ATOM 0 HG CYS A 14 3.354 1.754 4.146 1.00 0.00 H new ATOM 296 N LEU A 15 6.318 2.148 7.016 1.00 0.00 N ATOM 297 CA LEU A 15 6.562 3.553 7.457 1.00 0.00 C ATOM 298 C LEU A 15 7.980 3.975 7.066 1.00 0.00 C ATOM 299 O LEU A 15 8.217 5.103 6.682 1.00 0.00 O ATOM 300 CB LEU A 15 6.398 3.642 8.979 1.00 0.00 C ATOM 301 CG LEU A 15 6.572 5.093 9.453 1.00 0.00 C ATOM 302 CD1 LEU A 15 5.291 5.888 9.194 1.00 0.00 C ATOM 303 CD2 LEU A 15 6.870 5.098 10.951 1.00 0.00 C ATOM 0 H LEU A 15 6.046 1.502 7.757 1.00 0.00 H new ATOM 0 HA LEU A 15 5.845 4.217 6.974 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.413 3.274 9.267 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.133 3.002 9.468 1.00 0.00 H new ATOM 0 HG LEU A 15 7.395 5.552 8.905 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.425 6.915 9.534 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.070 5.885 8.127 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.463 5.431 9.737 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.995 6.125 11.294 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.043 4.634 11.488 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.786 4.538 11.142 1.00 0.00 H new ATOM 315 N GLN A 16 8.926 3.086 7.171 1.00 0.00 N ATOM 316 CA GLN A 16 10.327 3.447 6.813 1.00 0.00 C ATOM 317 C GLN A 16 10.390 3.907 5.354 1.00 0.00 C ATOM 318 O GLN A 16 11.145 4.793 5.008 1.00 0.00 O ATOM 319 CB GLN A 16 11.231 2.227 7.001 1.00 0.00 C ATOM 320 CG GLN A 16 11.261 1.837 8.481 1.00 0.00 C ATOM 321 CD GLN A 16 12.253 0.691 8.686 1.00 0.00 C ATOM 322 OE1 GLN A 16 12.876 0.190 7.655 1.00 0.00 O flip ATOM 323 NE2 GLN A 16 12.465 0.248 9.797 1.00 0.00 N flip ATOM 0 H GLN A 16 8.791 2.126 7.489 1.00 0.00 H new ATOM 0 HA GLN A 16 10.665 4.257 7.459 1.00 0.00 H new ATOM 0 HB2 GLN A 16 10.864 1.394 6.402 1.00 0.00 H new ATOM 0 HB3 GLN A 16 12.239 2.451 6.652 1.00 0.00 H new ATOM 0 HG2 GLN A 16 11.549 2.695 9.088 1.00 0.00 H new ATOM 0 HG3 GLN A 16 10.266 1.534 8.809 1.00 0.00 H new ATOM 0 HE21 GLN A 16 11.978 0.639 10.603 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.130 -0.515 9.923 1.00 0.00 H new ATOM 332 N CYS A 17 9.611 3.310 4.494 1.00 0.00 N ATOM 333 CA CYS A 17 9.642 3.714 3.060 1.00 0.00 C ATOM 334 C CYS A 17 8.553 4.752 2.772 1.00 0.00 C ATOM 335 O CYS A 17 8.772 5.711 2.060 1.00 0.00 O ATOM 336 CB CYS A 17 9.399 2.492 2.177 1.00 0.00 C ATOM 337 SG CYS A 17 10.812 1.366 2.279 1.00 0.00 S ATOM 0 H CYS A 17 8.956 2.562 4.722 1.00 0.00 H new ATOM 0 HA CYS A 17 10.619 4.146 2.845 1.00 0.00 H new ATOM 0 HB2 CYS A 17 8.491 1.979 2.493 1.00 0.00 H new ATOM 0 HB3 CYS A 17 9.246 2.804 1.144 1.00 0.00 H new ATOM 0 HG CYS A 17 10.595 0.328 1.526 1.00 0.00 H new ATOM 342 N HIS A 18 7.376 4.554 3.302 1.00 0.00 N ATOM 343 CA HIS A 18 6.268 5.517 3.039 1.00 0.00 C ATOM 344 C HIS A 18 5.980 6.350 4.289 1.00 0.00 C ATOM 345 O HIS A 18 5.700 5.824 5.349 1.00 0.00 O ATOM 346 CB HIS A 18 5.010 4.734 2.654 1.00 0.00 C ATOM 347 CG HIS A 18 5.175 4.148 1.281 1.00 0.00 C ATOM 348 ND1 HIS A 18 5.105 4.915 0.122 1.00 0.00 N ATOM 349 CD2 HIS A 18 5.381 2.862 0.866 1.00 0.00 C ATOM 350 CE1 HIS A 18 5.262 4.081 -0.927 1.00 0.00 C ATOM 351 NE2 HIS A 18 5.432 2.824 -0.520 1.00 0.00 N ATOM 0 H HIS A 18 7.134 3.768 3.905 1.00 0.00 H new ATOM 0 HA HIS A 18 6.559 6.186 2.229 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.829 3.940 3.379 1.00 0.00 H new ATOM 0 HB3 HIS A 18 4.141 5.391 2.677 1.00 0.00 H new ATOM 0 HD1 HIS A 18 4.961 5.924 0.074 1.00 0.00 H new ATOM 0 HD2 HIS A 18 5.488 2.007 1.517 1.00 0.00 H new ATOM 0 HE1 HIS A 18 5.251 4.392 -1.961 1.00 0.00 H new ATOM 359 N THR A 19 6.035 7.648 4.170 1.00 0.00 N ATOM 360 CA THR A 19 5.753 8.520 5.345 1.00 0.00 C ATOM 361 C THR A 19 4.241 8.728 5.468 1.00 0.00 C ATOM 362 O THR A 19 3.717 8.918 6.547 1.00 0.00 O ATOM 363 CB THR A 19 6.443 9.873 5.154 1.00 0.00 C ATOM 364 OG1 THR A 19 5.849 10.554 4.057 1.00 0.00 O ATOM 365 CG2 THR A 19 7.931 9.655 4.876 1.00 0.00 C ATOM 0 H THR A 19 6.264 8.143 3.308 1.00 0.00 H new ATOM 0 HA THR A 19 6.131 8.047 6.251 1.00 0.00 H new ATOM 0 HB THR A 19 6.329 10.470 6.059 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.253 10.241 3.221 1.00 0.00 H new ATOM 0 HG21 THR A 19 8.421 10.619 4.740 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.386 9.132 5.718 1.00 0.00 H new ATOM 0 HG23 THR A 19 8.049 9.058 3.972 1.00 0.00 H new ATOM 373 N VAL A 20 3.539 8.695 4.367 1.00 0.00 N ATOM 374 CA VAL A 20 2.060 8.889 4.411 1.00 0.00 C ATOM 375 C VAL A 20 1.717 10.197 5.131 1.00 0.00 C ATOM 376 O VAL A 20 0.563 10.550 5.270 1.00 0.00 O ATOM 377 CB VAL A 20 1.418 7.718 5.155 1.00 0.00 C ATOM 378 CG1 VAL A 20 -0.082 7.972 5.313 1.00 0.00 C ATOM 379 CG2 VAL A 20 1.635 6.430 4.357 1.00 0.00 C ATOM 0 H VAL A 20 3.927 8.542 3.436 1.00 0.00 H new ATOM 0 HA VAL A 20 1.678 8.935 3.391 1.00 0.00 H new ATOM 0 HB VAL A 20 1.874 7.619 6.140 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.539 7.136 5.844 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.238 8.890 5.879 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.540 8.071 4.329 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.178 5.593 4.885 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.178 6.531 3.373 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.704 6.248 4.244 1.00 0.00 H new ATOM 389 N GLU A 21 2.701 10.922 5.587 1.00 0.00 N ATOM 390 CA GLU A 21 2.413 12.203 6.293 1.00 0.00 C ATOM 391 C GLU A 21 1.706 13.165 5.334 1.00 0.00 C ATOM 392 O GLU A 21 2.017 13.227 4.161 1.00 0.00 O ATOM 393 CB GLU A 21 3.724 12.829 6.772 1.00 0.00 C ATOM 394 CG GLU A 21 4.379 11.911 7.807 1.00 0.00 C ATOM 395 CD GLU A 21 3.473 11.792 9.033 1.00 0.00 C ATOM 396 OE1 GLU A 21 2.604 12.634 9.188 1.00 0.00 O ATOM 397 OE2 GLU A 21 3.663 10.860 9.797 1.00 0.00 O ATOM 0 H GLU A 21 3.689 10.684 5.502 1.00 0.00 H new ATOM 0 HA GLU A 21 1.771 12.009 7.152 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.397 12.981 5.928 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.533 13.809 7.209 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.554 10.926 7.375 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.351 12.309 8.098 1.00 0.00 H new ATOM 404 N LYS A 22 0.757 13.917 5.822 1.00 0.00 N ATOM 405 CA LYS A 22 0.034 14.871 4.939 1.00 0.00 C ATOM 406 C LYS A 22 0.961 16.028 4.565 1.00 0.00 C ATOM 407 O LYS A 22 1.759 16.480 5.361 1.00 0.00 O ATOM 408 CB LYS A 22 -1.184 15.421 5.675 1.00 0.00 C ATOM 409 CG LYS A 22 -2.087 16.153 4.682 1.00 0.00 C ATOM 410 CD LYS A 22 -3.264 16.769 5.434 1.00 0.00 C ATOM 411 CE LYS A 22 -4.569 16.345 4.766 1.00 0.00 C ATOM 412 NZ LYS A 22 -4.646 16.936 3.399 1.00 0.00 N ATOM 0 H LYS A 22 0.452 13.911 6.795 1.00 0.00 H new ATOM 0 HA LYS A 22 -0.286 14.353 4.035 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.732 14.609 6.152 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.869 16.101 6.467 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.524 16.930 4.164 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.448 15.461 3.922 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.254 16.446 6.475 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.180 17.856 5.436 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -4.623 15.258 4.707 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.419 16.674 5.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.621 16.866 3.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.362 17.936 3.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.008 16.419 2.761 1.00 0.00 H new ATOM 426 N GLY A 23 0.861 16.510 3.358 1.00 0.00 N ATOM 427 CA GLY A 23 1.737 17.636 2.931 1.00 0.00 C ATOM 428 C GLY A 23 3.185 17.325 3.313 1.00 0.00 C ATOM 429 O GLY A 23 4.055 18.170 3.235 1.00 0.00 O ATOM 0 H GLY A 23 0.210 16.173 2.649 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.657 17.785 1.854 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.415 18.563 3.406 1.00 0.00 H new ATOM 433 N GLY A 24 3.449 16.118 3.732 1.00 0.00 N ATOM 434 CA GLY A 24 4.838 15.750 4.124 1.00 0.00 C ATOM 435 C GLY A 24 5.691 15.543 2.872 1.00 0.00 C ATOM 436 O GLY A 24 5.181 15.368 1.783 1.00 0.00 O ATOM 0 H GLY A 24 2.761 15.370 3.820 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.271 16.535 4.744 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.828 14.839 4.723 1.00 0.00 H new ATOM 440 N PRO A 25 6.984 15.562 3.035 1.00 0.00 N ATOM 441 CA PRO A 25 7.950 15.372 1.914 1.00 0.00 C ATOM 442 C PRO A 25 7.961 13.928 1.417 1.00 0.00 C ATOM 443 O PRO A 25 7.306 13.068 1.971 1.00 0.00 O ATOM 444 CB PRO A 25 9.300 15.727 2.531 1.00 0.00 C ATOM 445 CG PRO A 25 9.137 15.454 3.987 1.00 0.00 C ATOM 446 CD PRO A 25 7.677 15.764 4.318 1.00 0.00 C ATOM 0 HA PRO A 25 7.695 15.983 1.048 1.00 0.00 H new ATOM 0 HB2 PRO A 25 10.101 15.125 2.103 1.00 0.00 H new ATOM 0 HB3 PRO A 25 9.555 16.771 2.350 1.00 0.00 H new ATOM 0 HG2 PRO A 25 9.377 14.416 4.218 1.00 0.00 H new ATOM 0 HG3 PRO A 25 9.810 16.075 4.577 1.00 0.00 H new ATOM 0 HD2 PRO A 25 7.291 15.100 5.092 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.556 16.784 4.683 1.00 0.00 H new ATOM 454 N HIS A 26 8.707 13.650 0.382 1.00 0.00 N ATOM 455 CA HIS A 26 8.758 12.258 -0.135 1.00 0.00 C ATOM 456 C HIS A 26 10.056 11.591 0.321 1.00 0.00 C ATOM 457 O HIS A 26 11.125 12.157 0.223 1.00 0.00 O ATOM 458 CB HIS A 26 8.712 12.276 -1.666 1.00 0.00 C ATOM 459 CG HIS A 26 7.373 12.782 -2.127 1.00 0.00 C ATOM 460 ND1 HIS A 26 6.289 11.936 -2.317 1.00 0.00 N ATOM 461 CD2 HIS A 26 6.926 14.042 -2.446 1.00 0.00 C ATOM 462 CE1 HIS A 26 5.255 12.689 -2.734 1.00 0.00 C ATOM 463 NE2 HIS A 26 5.591 13.976 -2.827 1.00 0.00 N ATOM 0 H HIS A 26 9.280 14.325 -0.124 1.00 0.00 H new ATOM 0 HA HIS A 26 7.904 11.700 0.249 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.506 12.913 -2.056 1.00 0.00 H new ATOM 0 HB3 HIS A 26 8.887 11.273 -2.057 1.00 0.00 H new ATOM 0 HD2 HIS A 26 7.520 14.943 -2.407 1.00 0.00 H new ATOM 0 HE1 HIS A 26 4.275 12.299 -2.965 1.00 0.00 H new ATOM 0 HE2 HIS A 26 4.993 14.750 -3.117 1.00 0.00 H new ATOM 472 N LYS A 27 9.967 10.387 0.817 1.00 0.00 N ATOM 473 CA LYS A 27 11.190 9.674 1.279 1.00 0.00 C ATOM 474 C LYS A 27 11.192 8.255 0.709 1.00 0.00 C ATOM 475 O LYS A 27 10.211 7.544 0.790 1.00 0.00 O ATOM 476 CB LYS A 27 11.197 9.608 2.808 1.00 0.00 C ATOM 477 CG LYS A 27 12.512 8.988 3.288 1.00 0.00 C ATOM 478 CD LYS A 27 12.492 8.866 4.813 1.00 0.00 C ATOM 479 CE LYS A 27 13.859 8.388 5.305 1.00 0.00 C ATOM 480 NZ LYS A 27 14.868 9.463 5.088 1.00 0.00 N ATOM 0 H LYS A 27 9.097 9.866 0.922 1.00 0.00 H new ATOM 0 HA LYS A 27 12.076 10.209 0.936 1.00 0.00 H new ATOM 0 HB2 LYS A 27 11.081 10.608 3.226 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.353 9.015 3.161 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.650 8.006 2.836 1.00 0.00 H new ATOM 0 HG3 LYS A 27 13.354 9.605 2.973 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.248 9.829 5.262 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.717 8.165 5.122 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.807 8.131 6.363 1.00 0.00 H new ATOM 0 HE3 LYS A 27 14.154 7.484 4.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 15.675 9.316 5.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 15.198 9.435 4.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.436 10.389 5.282 1.00 0.00 H new ATOM 494 N VAL A 28 12.284 7.837 0.129 1.00 0.00 N ATOM 495 CA VAL A 28 12.340 6.464 -0.448 1.00 0.00 C ATOM 496 C VAL A 28 11.169 6.277 -1.414 1.00 0.00 C ATOM 497 O VAL A 28 11.299 6.461 -2.608 1.00 0.00 O ATOM 498 CB VAL A 28 12.247 5.432 0.677 1.00 0.00 C ATOM 499 CG1 VAL A 28 12.177 4.028 0.078 1.00 0.00 C ATOM 500 CG2 VAL A 28 13.484 5.543 1.572 1.00 0.00 C ATOM 0 H VAL A 28 13.138 8.386 0.030 1.00 0.00 H new ATOM 0 HA VAL A 28 13.280 6.329 -0.982 1.00 0.00 H new ATOM 0 HB VAL A 28 11.351 5.619 1.268 1.00 0.00 H new ATOM 0 HG11 VAL A 28 12.111 3.293 0.880 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.297 3.948 -0.561 1.00 0.00 H new ATOM 0 HG13 VAL A 28 13.073 3.840 -0.513 1.00 0.00 H new ATOM 0 HG21 VAL A 28 13.420 4.808 2.375 1.00 0.00 H new ATOM 0 HG22 VAL A 28 14.380 5.356 0.980 1.00 0.00 H new ATOM 0 HG23 VAL A 28 13.535 6.544 2.000 1.00 0.00 H new ATOM 510 N GLY A 29 10.023 5.911 -0.907 1.00 0.00 N ATOM 511 CA GLY A 29 8.842 5.713 -1.796 1.00 0.00 C ATOM 512 C GLY A 29 7.909 6.920 -1.684 1.00 0.00 C ATOM 513 O GLY A 29 7.993 7.699 -0.757 1.00 0.00 O ATOM 0 H GLY A 29 9.853 5.741 0.084 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.168 5.587 -2.828 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.311 4.803 -1.516 1.00 0.00 H new ATOM 517 N PRO A 30 7.023 7.066 -2.631 1.00 0.00 N ATOM 518 CA PRO A 30 6.041 8.192 -2.663 1.00 0.00 C ATOM 519 C PRO A 30 5.102 8.174 -1.454 1.00 0.00 C ATOM 520 O PRO A 30 4.841 7.139 -0.880 1.00 0.00 O ATOM 521 CB PRO A 30 5.256 7.965 -3.960 1.00 0.00 C ATOM 522 CG PRO A 30 5.480 6.536 -4.324 1.00 0.00 C ATOM 523 CD PRO A 30 6.855 6.165 -3.778 1.00 0.00 C ATOM 0 HA PRO A 30 6.538 9.161 -2.626 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.195 8.171 -3.816 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.605 8.629 -4.750 1.00 0.00 H new ATOM 0 HG2 PRO A 30 4.706 5.900 -3.894 1.00 0.00 H new ATOM 0 HG3 PRO A 30 5.441 6.399 -5.405 1.00 0.00 H new ATOM 0 HD2 PRO A 30 6.898 5.119 -3.476 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.636 6.314 -4.523 1.00 0.00 H new ATOM 531 N ASN A 31 4.592 9.310 -1.062 1.00 0.00 N ATOM 532 CA ASN A 31 3.671 9.349 0.112 1.00 0.00 C ATOM 533 C ASN A 31 2.247 9.017 -0.346 1.00 0.00 C ATOM 534 O ASN A 31 1.801 9.460 -1.387 1.00 0.00 O ATOM 535 CB ASN A 31 3.689 10.750 0.726 1.00 0.00 C ATOM 536 CG ASN A 31 5.134 11.177 1.000 1.00 0.00 C ATOM 537 OD1 ASN A 31 5.976 10.315 1.500 1.00 0.00 O flip ATOM 538 ND2 ASN A 31 5.498 12.309 0.754 1.00 0.00 N flip ATOM 0 H ASN A 31 4.772 10.212 -1.503 1.00 0.00 H new ATOM 0 HA ASN A 31 3.997 8.619 0.853 1.00 0.00 H new ATOM 0 HB2 ASN A 31 3.212 11.460 0.050 1.00 0.00 H new ATOM 0 HB3 ASN A 31 3.116 10.758 1.653 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.840 12.983 0.363 1.00 0.00 H new ATOM 0 HD22 ASN A 31 6.462 12.586 0.938 1.00 0.00 H new ATOM 545 N LEU A 32 1.529 8.240 0.421 1.00 0.00 N ATOM 546 CA LEU A 32 0.135 7.883 0.026 1.00 0.00 C ATOM 547 C LEU A 32 -0.862 8.762 0.784 1.00 0.00 C ATOM 548 O LEU A 32 -0.707 9.025 1.961 1.00 0.00 O ATOM 549 CB LEU A 32 -0.135 6.415 0.362 1.00 0.00 C ATOM 550 CG LEU A 32 0.768 5.516 -0.482 1.00 0.00 C ATOM 551 CD1 LEU A 32 2.229 5.757 -0.107 1.00 0.00 C ATOM 552 CD2 LEU A 32 0.411 4.052 -0.222 1.00 0.00 C ATOM 0 H LEU A 32 1.847 7.838 1.303 1.00 0.00 H new ATOM 0 HA LEU A 32 0.019 8.043 -1.046 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.046 6.236 1.422 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.181 6.176 0.173 1.00 0.00 H new ATOM 0 HG LEU A 32 0.624 5.747 -1.538 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.870 5.115 -0.710 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.484 6.801 -0.291 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.376 5.528 0.948 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.054 3.409 -0.823 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.555 3.824 0.834 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.631 3.878 -0.492 1.00 0.00 H new ATOM 564 N HIS A 33 -1.891 9.211 0.121 1.00 0.00 N ATOM 565 CA HIS A 33 -2.908 10.063 0.800 1.00 0.00 C ATOM 566 C HIS A 33 -4.150 10.168 -0.087 1.00 0.00 C ATOM 567 O HIS A 33 -4.222 10.991 -0.977 1.00 0.00 O ATOM 568 CB HIS A 33 -2.331 11.461 1.039 1.00 0.00 C ATOM 569 CG HIS A 33 -3.341 12.304 1.767 1.00 0.00 C ATOM 570 ND1 HIS A 33 -4.238 13.126 1.099 1.00 0.00 N ATOM 571 CD2 HIS A 33 -3.612 12.461 3.104 1.00 0.00 C ATOM 572 CE1 HIS A 33 -4.997 13.737 2.027 1.00 0.00 C ATOM 573 NE2 HIS A 33 -4.656 13.364 3.262 1.00 0.00 N ATOM 0 H HIS A 33 -2.072 9.024 -0.865 1.00 0.00 H new ATOM 0 HA HIS A 33 -3.177 9.617 1.757 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -1.412 11.392 1.621 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -2.071 11.926 0.088 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -4.309 13.245 0.088 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -3.094 11.960 3.908 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -5.784 14.441 1.801 1.00 0.00 H new ATOM 582 N GLY A 34 -5.128 9.336 0.146 1.00 0.00 N ATOM 583 CA GLY A 34 -6.360 9.385 -0.689 1.00 0.00 C ATOM 584 C GLY A 34 -6.153 8.521 -1.933 1.00 0.00 C ATOM 585 O GLY A 34 -6.965 8.507 -2.836 1.00 0.00 O ATOM 0 H GLY A 34 -5.127 8.625 0.878 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.216 9.025 -0.119 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.579 10.413 -0.977 1.00 0.00 H new ATOM 589 N ILE A 35 -5.066 7.801 -1.983 1.00 0.00 N ATOM 590 CA ILE A 35 -4.792 6.936 -3.164 1.00 0.00 C ATOM 591 C ILE A 35 -5.932 5.931 -3.340 1.00 0.00 C ATOM 592 O ILE A 35 -6.138 5.393 -4.409 1.00 0.00 O ATOM 593 CB ILE A 35 -3.475 6.186 -2.952 1.00 0.00 C ATOM 594 CG1 ILE A 35 -2.998 5.596 -4.281 1.00 0.00 C ATOM 595 CG2 ILE A 35 -3.686 5.057 -1.942 1.00 0.00 C ATOM 596 CD1 ILE A 35 -1.543 5.146 -4.148 1.00 0.00 C ATOM 0 H ILE A 35 -4.353 7.775 -1.254 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.717 7.556 -4.058 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.724 6.879 -2.573 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.627 4.751 -4.562 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.089 6.338 -5.074 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.748 4.523 -1.792 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.022 5.476 -0.993 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.440 4.366 -2.320 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.204 4.726 -5.095 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.920 6.001 -3.887 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.466 4.389 -3.367 1.00 0.00 H new ATOM 608 N PHE A 36 -6.672 5.670 -2.297 1.00 0.00 N ATOM 609 CA PHE A 36 -7.793 4.698 -2.406 1.00 0.00 C ATOM 610 C PHE A 36 -8.843 5.236 -3.380 1.00 0.00 C ATOM 611 O PHE A 36 -9.238 6.382 -3.313 1.00 0.00 O ATOM 612 CB PHE A 36 -8.427 4.512 -1.028 1.00 0.00 C ATOM 613 CG PHE A 36 -7.487 3.740 -0.135 1.00 0.00 C ATOM 614 CD1 PHE A 36 -6.502 4.412 0.601 1.00 0.00 C ATOM 615 CD2 PHE A 36 -7.603 2.348 -0.040 1.00 0.00 C ATOM 616 CE1 PHE A 36 -5.635 3.689 1.429 1.00 0.00 C ATOM 617 CE2 PHE A 36 -6.736 1.627 0.788 1.00 0.00 C ATOM 618 CZ PHE A 36 -5.752 2.297 1.523 1.00 0.00 C ATOM 0 H PHE A 36 -6.548 6.088 -1.375 1.00 0.00 H new ATOM 0 HA PHE A 36 -7.417 3.743 -2.772 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -8.649 5.483 -0.585 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -9.374 3.980 -1.122 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.412 5.486 0.530 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -8.363 1.830 -0.607 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.875 4.206 1.996 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.826 0.553 0.860 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.083 1.741 2.163 1.00 0.00 H new ATOM 628 N GLY A 37 -9.300 4.412 -4.284 1.00 0.00 N ATOM 629 CA GLY A 37 -10.327 4.871 -5.261 1.00 0.00 C ATOM 630 C GLY A 37 -9.689 5.842 -6.256 1.00 0.00 C ATOM 631 O GLY A 37 -10.364 6.632 -6.884 1.00 0.00 O ATOM 0 H GLY A 37 -9.006 3.441 -4.388 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.748 4.016 -5.790 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.149 5.359 -4.738 1.00 0.00 H new ATOM 635 N ARG A 38 -8.391 5.793 -6.402 1.00 0.00 N ATOM 636 CA ARG A 38 -7.717 6.720 -7.352 1.00 0.00 C ATOM 637 C ARG A 38 -6.629 5.973 -8.126 1.00 0.00 C ATOM 638 O ARG A 38 -6.253 4.870 -7.784 1.00 0.00 O ATOM 639 CB ARG A 38 -7.096 7.883 -6.580 1.00 0.00 C ATOM 640 CG ARG A 38 -8.203 8.668 -5.874 1.00 0.00 C ATOM 641 CD ARG A 38 -7.623 9.953 -5.287 1.00 0.00 C ATOM 642 NE ARG A 38 -7.334 10.912 -6.391 1.00 0.00 N ATOM 643 CZ ARG A 38 -8.266 11.720 -6.817 1.00 0.00 C ATOM 644 NH1 ARG A 38 -9.457 11.685 -6.284 1.00 0.00 N ATOM 645 NH2 ARG A 38 -8.009 12.561 -7.781 1.00 0.00 N ATOM 0 H ARG A 38 -7.772 5.153 -5.905 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.452 7.107 -8.057 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -6.378 7.508 -5.851 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -6.549 8.535 -7.260 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.001 8.905 -6.578 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -8.645 8.062 -5.083 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -8.327 10.394 -4.581 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -6.711 9.734 -4.732 1.00 0.00 H new ATOM 0 HE ARG A 38 -6.406 10.937 -6.814 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -9.661 11.025 -5.533 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -10.184 12.317 -6.618 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -7.080 12.587 -8.201 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -8.737 13.193 -8.114 1.00 0.00 H new ATOM 659 N HIS A 39 -6.123 6.568 -9.174 1.00 0.00 N ATOM 660 CA HIS A 39 -5.068 5.896 -9.982 1.00 0.00 C ATOM 661 C HIS A 39 -3.684 6.348 -9.511 1.00 0.00 C ATOM 662 O HIS A 39 -3.527 7.400 -8.925 1.00 0.00 O ATOM 663 CB HIS A 39 -5.247 6.264 -11.456 1.00 0.00 C ATOM 664 CG HIS A 39 -6.557 5.720 -11.955 1.00 0.00 C ATOM 665 ND1 HIS A 39 -7.741 6.441 -11.861 1.00 0.00 N ATOM 666 CD2 HIS A 39 -6.888 4.532 -12.557 1.00 0.00 C ATOM 667 CE1 HIS A 39 -8.718 5.684 -12.393 1.00 0.00 C ATOM 668 NE2 HIS A 39 -8.250 4.514 -12.830 1.00 0.00 N ATOM 0 H HIS A 39 -6.397 7.493 -9.505 1.00 0.00 H new ATOM 0 HA HIS A 39 -5.154 4.816 -9.858 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.222 7.347 -11.577 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -4.425 5.858 -12.045 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.196 3.734 -12.784 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -9.753 5.986 -12.458 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -8.781 3.763 -13.272 1.00 0.00 H new ATOM 677 N SER A 40 -2.678 5.554 -9.763 1.00 0.00 N ATOM 678 CA SER A 40 -1.301 5.927 -9.331 1.00 0.00 C ATOM 679 C SER A 40 -0.833 7.161 -10.106 1.00 0.00 C ATOM 680 O SER A 40 -1.405 7.528 -11.112 1.00 0.00 O ATOM 681 CB SER A 40 -0.346 4.765 -9.608 1.00 0.00 C ATOM 682 OG SER A 40 -0.114 4.673 -11.007 1.00 0.00 O ATOM 0 H SER A 40 -2.751 4.661 -10.251 1.00 0.00 H new ATOM 0 HA SER A 40 -1.308 6.149 -8.264 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.595 4.919 -9.081 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.771 3.833 -9.236 1.00 0.00 H new ATOM 0 HG SER A 40 -0.930 4.366 -11.454 1.00 0.00 H new ATOM 688 N GLY A 41 0.206 7.800 -9.642 1.00 0.00 N ATOM 689 CA GLY A 41 0.716 9.008 -10.349 1.00 0.00 C ATOM 690 C GLY A 41 0.077 10.262 -9.747 1.00 0.00 C ATOM 691 O GLY A 41 0.331 11.369 -10.177 1.00 0.00 O ATOM 0 H GLY A 41 0.724 7.537 -8.803 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.801 9.062 -10.261 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.485 8.944 -11.412 1.00 0.00 H new ATOM 695 N GLN A 42 -0.755 10.096 -8.754 1.00 0.00 N ATOM 696 CA GLN A 42 -1.415 11.273 -8.125 1.00 0.00 C ATOM 697 C GLN A 42 -0.358 12.221 -7.550 1.00 0.00 C ATOM 698 O GLN A 42 -0.517 13.425 -7.567 1.00 0.00 O ATOM 699 CB GLN A 42 -2.333 10.802 -6.997 1.00 0.00 C ATOM 700 CG GLN A 42 -3.134 11.992 -6.467 1.00 0.00 C ATOM 701 CD GLN A 42 -3.940 11.560 -5.242 1.00 0.00 C ATOM 702 OE1 GLN A 42 -5.236 11.463 -5.335 1.00 0.00 O flip ATOM 703 NE2 GLN A 42 -3.384 11.307 -4.192 1.00 0.00 N flip ATOM 0 H GLN A 42 -1.006 9.193 -8.351 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.998 11.798 -8.881 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.008 10.028 -7.361 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -1.744 10.359 -6.194 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -2.461 12.808 -6.203 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -3.803 12.368 -7.241 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -2.369 11.383 -4.121 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -3.932 11.018 -3.382 1.00 0.00 H new ATOM 712 N ALA A 43 0.713 11.688 -7.032 1.00 0.00 N ATOM 713 CA ALA A 43 1.769 12.561 -6.445 1.00 0.00 C ATOM 714 C ALA A 43 2.271 13.545 -7.502 1.00 0.00 C ATOM 715 O ALA A 43 2.612 14.672 -7.202 1.00 0.00 O ATOM 716 CB ALA A 43 2.934 11.696 -5.959 1.00 0.00 C ATOM 0 H ALA A 43 0.903 10.687 -6.989 1.00 0.00 H new ATOM 0 HA ALA A 43 1.352 13.116 -5.605 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.707 12.334 -5.530 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.578 10.998 -5.202 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.349 11.139 -6.799 1.00 0.00 H new ATOM 722 N GLU A 44 2.321 13.131 -8.739 1.00 0.00 N ATOM 723 CA GLU A 44 2.805 14.046 -9.810 1.00 0.00 C ATOM 724 C GLU A 44 4.045 14.793 -9.318 1.00 0.00 C ATOM 725 O GLU A 44 4.436 15.802 -9.872 1.00 0.00 O ATOM 726 CB GLU A 44 1.705 15.053 -10.156 1.00 0.00 C ATOM 727 CG GLU A 44 0.485 14.311 -10.703 1.00 0.00 C ATOM 728 CD GLU A 44 -0.587 15.322 -11.114 1.00 0.00 C ATOM 729 OE1 GLU A 44 -0.417 16.491 -10.809 1.00 0.00 O ATOM 730 OE2 GLU A 44 -1.559 14.911 -11.725 1.00 0.00 O ATOM 0 H GLU A 44 2.048 12.200 -9.053 1.00 0.00 H new ATOM 0 HA GLU A 44 3.058 13.466 -10.698 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.429 15.624 -9.270 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.070 15.767 -10.894 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.771 13.701 -11.559 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.089 13.633 -9.947 1.00 0.00 H new ATOM 737 N GLY A 45 4.667 14.303 -8.279 1.00 0.00 N ATOM 738 CA GLY A 45 5.885 14.973 -7.741 1.00 0.00 C ATOM 739 C GLY A 45 7.009 13.945 -7.617 1.00 0.00 C ATOM 740 O GLY A 45 8.165 14.239 -7.850 1.00 0.00 O ATOM 0 H GLY A 45 4.381 13.462 -7.777 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.190 15.785 -8.401 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.672 15.416 -6.768 1.00 0.00 H new ATOM 744 N TYR A 46 6.675 12.736 -7.257 1.00 0.00 N ATOM 745 CA TYR A 46 7.717 11.680 -7.122 1.00 0.00 C ATOM 746 C TYR A 46 7.640 10.753 -8.336 1.00 0.00 C ATOM 747 O TYR A 46 6.572 10.361 -8.760 1.00 0.00 O ATOM 748 CB TYR A 46 7.469 10.878 -5.841 1.00 0.00 C ATOM 749 CG TYR A 46 8.609 9.914 -5.621 1.00 0.00 C ATOM 750 CD1 TYR A 46 9.797 10.359 -5.029 1.00 0.00 C ATOM 751 CD2 TYR A 46 8.479 8.574 -6.008 1.00 0.00 C ATOM 752 CE1 TYR A 46 10.855 9.466 -4.823 1.00 0.00 C ATOM 753 CE2 TYR A 46 9.537 7.681 -5.802 1.00 0.00 C ATOM 754 CZ TYR A 46 10.726 8.127 -5.211 1.00 0.00 C ATOM 755 OH TYR A 46 11.769 7.246 -5.008 1.00 0.00 O ATOM 0 H TYR A 46 5.723 12.434 -7.050 1.00 0.00 H new ATOM 0 HA TYR A 46 8.706 12.136 -7.070 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.379 11.552 -4.989 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.528 10.333 -5.917 1.00 0.00 H new ATOM 0 HD1 TYR A 46 9.897 11.392 -4.731 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.563 8.230 -6.465 1.00 0.00 H new ATOM 0 HE1 TYR A 46 11.771 9.810 -4.365 1.00 0.00 H new ATOM 0 HE2 TYR A 46 9.436 6.647 -6.099 1.00 0.00 H new ATOM 0 HH TYR A 46 11.547 6.641 -4.270 1.00 0.00 H new ATOM 765 N SER A 47 8.760 10.409 -8.909 1.00 0.00 N ATOM 766 CA SER A 47 8.738 9.519 -10.106 1.00 0.00 C ATOM 767 C SER A 47 8.221 8.133 -9.715 1.00 0.00 C ATOM 768 O SER A 47 8.295 7.729 -8.572 1.00 0.00 O ATOM 769 CB SER A 47 10.153 9.392 -10.670 1.00 0.00 C ATOM 770 OG SER A 47 10.926 8.556 -9.817 1.00 0.00 O ATOM 0 H SER A 47 9.687 10.704 -8.602 1.00 0.00 H new ATOM 0 HA SER A 47 8.078 9.948 -10.860 1.00 0.00 H new ATOM 0 HB2 SER A 47 10.120 8.973 -11.676 1.00 0.00 H new ATOM 0 HB3 SER A 47 10.615 10.376 -10.750 1.00 0.00 H new ATOM 0 HG SER A 47 11.834 8.471 -10.177 1.00 0.00 H new ATOM 776 N TYR A 48 7.701 7.402 -10.666 1.00 0.00 N ATOM 777 CA TYR A 48 7.177 6.037 -10.371 1.00 0.00 C ATOM 778 C TYR A 48 7.906 5.010 -11.239 1.00 0.00 C ATOM 779 O TYR A 48 8.335 5.305 -12.337 1.00 0.00 O ATOM 780 CB TYR A 48 5.678 5.983 -10.676 1.00 0.00 C ATOM 781 CG TYR A 48 4.916 6.750 -9.622 1.00 0.00 C ATOM 782 CD1 TYR A 48 4.509 6.103 -8.450 1.00 0.00 C ATOM 783 CD2 TYR A 48 4.612 8.103 -9.817 1.00 0.00 C ATOM 784 CE1 TYR A 48 3.798 6.806 -7.472 1.00 0.00 C ATOM 785 CE2 TYR A 48 3.900 8.808 -8.838 1.00 0.00 C ATOM 786 CZ TYR A 48 3.494 8.158 -7.666 1.00 0.00 C ATOM 787 OH TYR A 48 2.789 8.850 -6.701 1.00 0.00 O ATOM 0 H TYR A 48 7.617 7.694 -11.640 1.00 0.00 H new ATOM 0 HA TYR A 48 7.342 5.809 -9.318 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.482 6.407 -11.661 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.339 4.947 -10.702 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.744 5.060 -8.300 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.926 8.603 -10.721 1.00 0.00 H new ATOM 0 HE1 TYR A 48 3.484 6.306 -6.568 1.00 0.00 H new ATOM 0 HE2 TYR A 48 3.665 9.851 -8.987 1.00 0.00 H new ATOM 0 HH TYR A 48 2.984 8.471 -5.819 1.00 0.00 H new ATOM 797 N THR A 49 8.048 3.808 -10.757 1.00 0.00 N ATOM 798 CA THR A 49 8.746 2.764 -11.557 1.00 0.00 C ATOM 799 C THR A 49 8.072 2.643 -12.926 1.00 0.00 C ATOM 800 O THR A 49 6.889 2.880 -13.068 1.00 0.00 O ATOM 801 CB THR A 49 8.666 1.422 -10.827 1.00 0.00 C ATOM 802 OG1 THR A 49 9.302 0.420 -11.608 1.00 0.00 O ATOM 803 CG2 THR A 49 7.200 1.047 -10.606 1.00 0.00 C ATOM 0 H THR A 49 7.711 3.503 -9.844 1.00 0.00 H new ATOM 0 HA THR A 49 9.792 3.042 -11.688 1.00 0.00 H new ATOM 0 HB THR A 49 9.167 1.502 -9.862 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.708 -0.355 -11.693 1.00 0.00 H new ATOM 0 HG21 THR A 49 7.143 0.091 -10.086 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.714 1.816 -10.005 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.696 0.967 -11.569 1.00 0.00 H new ATOM 811 N ASP A 50 8.815 2.283 -13.933 1.00 0.00 N ATOM 812 CA ASP A 50 8.218 2.152 -15.291 1.00 0.00 C ATOM 813 C ASP A 50 7.035 1.182 -15.248 1.00 0.00 C ATOM 814 O ASP A 50 6.061 1.348 -15.954 1.00 0.00 O ATOM 815 CB ASP A 50 9.273 1.625 -16.261 1.00 0.00 C ATOM 816 CG ASP A 50 10.356 2.686 -16.468 1.00 0.00 C ATOM 817 OD1 ASP A 50 10.141 3.812 -16.051 1.00 0.00 O ATOM 818 OD2 ASP A 50 11.381 2.353 -17.039 1.00 0.00 O ATOM 0 H ASP A 50 9.812 2.073 -13.875 1.00 0.00 H new ATOM 0 HA ASP A 50 7.868 3.129 -15.625 1.00 0.00 H new ATOM 0 HB2 ASP A 50 9.717 0.710 -15.869 1.00 0.00 H new ATOM 0 HB3 ASP A 50 8.810 1.372 -17.215 1.00 0.00 H new ATOM 823 N ALA A 51 7.115 0.163 -14.436 1.00 0.00 N ATOM 824 CA ALA A 51 5.994 -0.818 -14.366 1.00 0.00 C ATOM 825 C ALA A 51 4.705 -0.113 -13.932 1.00 0.00 C ATOM 826 O ALA A 51 3.709 -0.149 -14.627 1.00 0.00 O ATOM 827 CB ALA A 51 6.339 -1.910 -13.352 1.00 0.00 C ATOM 0 H ALA A 51 7.904 -0.032 -13.820 1.00 0.00 H new ATOM 0 HA ALA A 51 5.845 -1.261 -15.351 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.521 -2.629 -13.299 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.251 -2.420 -13.663 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.491 -1.460 -12.371 1.00 0.00 H new ATOM 833 N ASN A 52 4.709 0.526 -12.794 1.00 0.00 N ATOM 834 CA ASN A 52 3.471 1.225 -12.338 1.00 0.00 C ATOM 835 C ASN A 52 3.041 2.246 -13.393 1.00 0.00 C ATOM 836 O ASN A 52 1.875 2.369 -13.708 1.00 0.00 O ATOM 837 CB ASN A 52 3.738 1.945 -11.014 1.00 0.00 C ATOM 838 CG ASN A 52 2.447 2.601 -10.512 1.00 0.00 C ATOM 839 OD1 ASN A 52 2.267 3.794 -10.660 1.00 0.00 O ATOM 840 ND2 ASN A 52 1.537 1.877 -9.919 1.00 0.00 N ATOM 0 H ASN A 52 5.508 0.595 -12.164 1.00 0.00 H new ATOM 0 HA ASN A 52 2.678 0.490 -12.195 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.110 1.237 -10.273 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.512 2.700 -11.150 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.679 2.313 -9.582 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.684 0.876 -9.793 1.00 0.00 H new ATOM 847 N ILE A 53 3.969 2.978 -13.942 1.00 0.00 N ATOM 848 CA ILE A 53 3.605 3.984 -14.970 1.00 0.00 C ATOM 849 C ILE A 53 2.986 3.283 -16.183 1.00 0.00 C ATOM 850 O ILE A 53 1.890 3.600 -16.601 1.00 0.00 O ATOM 851 CB ILE A 53 4.864 4.734 -15.398 1.00 0.00 C ATOM 852 CG1 ILE A 53 5.455 5.468 -14.191 1.00 0.00 C ATOM 853 CG2 ILE A 53 4.505 5.746 -16.480 1.00 0.00 C ATOM 854 CD1 ILE A 53 6.789 6.104 -14.583 1.00 0.00 C ATOM 0 H ILE A 53 4.963 2.921 -13.721 1.00 0.00 H new ATOM 0 HA ILE A 53 2.880 4.686 -14.557 1.00 0.00 H new ATOM 0 HB ILE A 53 5.596 4.026 -15.787 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.763 6.235 -13.844 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.601 4.772 -13.365 1.00 0.00 H new ATOM 0 HG21 ILE A 53 5.402 6.283 -16.788 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.081 5.225 -17.339 1.00 0.00 H new ATOM 0 HG23 ILE A 53 3.775 6.454 -16.088 1.00 0.00 H new ATOM 0 HD11 ILE A 53 7.209 6.626 -13.724 1.00 0.00 H new ATOM 0 HD12 ILE A 53 7.480 5.327 -14.909 1.00 0.00 H new ATOM 0 HD13 ILE A 53 6.629 6.812 -15.396 1.00 0.00 H new ATOM 866 N LYS A 54 3.681 2.337 -16.753 1.00 0.00 N ATOM 867 CA LYS A 54 3.130 1.622 -17.938 1.00 0.00 C ATOM 868 C LYS A 54 1.932 0.766 -17.517 1.00 0.00 C ATOM 869 O LYS A 54 0.854 0.878 -18.064 1.00 0.00 O ATOM 870 CB LYS A 54 4.211 0.724 -18.539 1.00 0.00 C ATOM 871 CG LYS A 54 3.691 0.096 -19.835 1.00 0.00 C ATOM 872 CD LYS A 54 4.747 -0.854 -20.402 1.00 0.00 C ATOM 873 CE LYS A 54 4.292 -1.368 -21.769 1.00 0.00 C ATOM 874 NZ LYS A 54 3.286 -2.452 -21.582 1.00 0.00 N ATOM 0 H LYS A 54 4.605 2.029 -16.450 1.00 0.00 H new ATOM 0 HA LYS A 54 2.807 2.352 -18.680 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.111 1.305 -18.740 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.487 -0.056 -17.829 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.765 -0.446 -19.643 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.460 0.875 -20.562 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.703 -0.338 -20.496 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.902 -1.691 -19.721 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.861 -0.553 -22.351 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.147 -1.744 -22.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.976 -2.802 -22.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.713 -3.232 -21.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.466 -2.079 -21.062 1.00 0.00 H new ATOM 888 N LYS A 55 2.117 -0.094 -16.551 1.00 0.00 N ATOM 889 CA LYS A 55 0.990 -0.959 -16.102 1.00 0.00 C ATOM 890 C LYS A 55 -0.105 -0.098 -15.471 1.00 0.00 C ATOM 891 O LYS A 55 -1.255 -0.182 -15.842 1.00 0.00 O ATOM 892 CB LYS A 55 1.509 -1.968 -15.071 1.00 0.00 C ATOM 893 CG LYS A 55 0.392 -2.943 -14.689 1.00 0.00 C ATOM 894 CD LYS A 55 0.918 -3.944 -13.659 1.00 0.00 C ATOM 895 CE LYS A 55 -0.136 -5.025 -13.414 1.00 0.00 C ATOM 896 NZ LYS A 55 -0.552 -5.000 -11.983 1.00 0.00 N ATOM 0 H LYS A 55 2.997 -0.234 -16.055 1.00 0.00 H new ATOM 0 HA LYS A 55 0.576 -1.490 -16.959 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.358 -2.516 -15.481 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.866 -1.444 -14.184 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.458 -2.397 -14.280 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.036 -3.470 -15.574 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.843 -4.397 -14.016 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.153 -3.432 -12.726 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.000 -4.858 -14.058 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.267 -6.005 -13.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.402 -5.586 -11.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.217 -5.375 -11.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.761 -4.022 -11.699 1.00 0.00 H new ATOM 910 N ASN A 56 0.255 0.729 -14.524 1.00 0.00 N ATOM 911 CA ASN A 56 -0.746 1.608 -13.846 1.00 0.00 C ATOM 912 C ASN A 56 -1.937 0.775 -13.363 1.00 0.00 C ATOM 913 O ASN A 56 -2.633 0.150 -14.134 1.00 0.00 O ATOM 914 CB ASN A 56 -1.233 2.700 -14.801 1.00 0.00 C ATOM 915 CG ASN A 56 -1.438 4.001 -14.016 1.00 0.00 C ATOM 916 OD1 ASN A 56 -1.571 3.952 -12.715 1.00 0.00 O flip ATOM 917 ND2 ASN A 56 -1.482 5.071 -14.590 1.00 0.00 N flip ATOM 0 H ASN A 56 1.212 0.834 -14.187 1.00 0.00 H new ATOM 0 HA ASN A 56 -0.266 2.079 -12.988 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.506 2.853 -15.599 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.166 2.396 -15.275 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -1.378 5.110 -15.604 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.622 5.930 -14.058 1.00 0.00 H new ATOM 924 N VAL A 57 -2.168 0.760 -12.080 1.00 0.00 N ATOM 925 CA VAL A 57 -3.297 -0.039 -11.528 1.00 0.00 C ATOM 926 C VAL A 57 -4.195 0.843 -10.660 1.00 0.00 C ATOM 927 O VAL A 57 -3.740 1.763 -10.010 1.00 0.00 O ATOM 928 CB VAL A 57 -2.727 -1.169 -10.678 1.00 0.00 C ATOM 929 CG1 VAL A 57 -1.882 -0.570 -9.551 1.00 0.00 C ATOM 930 CG2 VAL A 57 -3.874 -1.985 -10.079 1.00 0.00 C ATOM 0 H VAL A 57 -1.620 1.270 -11.387 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.889 -0.444 -12.349 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.107 -1.819 -11.296 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.471 -1.372 -8.939 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.067 0.014 -9.978 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.506 0.075 -8.932 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.467 -2.793 -9.471 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.494 -1.339 -9.457 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.480 -2.405 -10.882 1.00 0.00 H new ATOM 940 N LEU A 58 -5.470 0.562 -10.638 1.00 0.00 N ATOM 941 CA LEU A 58 -6.403 1.371 -9.806 1.00 0.00 C ATOM 942 C LEU A 58 -6.233 0.973 -8.342 1.00 0.00 C ATOM 943 O LEU A 58 -6.172 -0.194 -8.011 1.00 0.00 O ATOM 944 CB LEU A 58 -7.846 1.103 -10.245 1.00 0.00 C ATOM 945 CG LEU A 58 -8.816 1.906 -9.372 1.00 0.00 C ATOM 946 CD1 LEU A 58 -8.596 3.401 -9.597 1.00 0.00 C ATOM 947 CD2 LEU A 58 -10.254 1.545 -9.746 1.00 0.00 C ATOM 0 H LEU A 58 -5.906 -0.196 -11.163 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.182 2.431 -9.929 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -7.973 1.378 -11.292 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -8.068 0.039 -10.165 1.00 0.00 H new ATOM 0 HG LEU A 58 -8.638 1.668 -8.323 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.288 3.968 -8.974 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.571 3.662 -9.332 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -8.772 3.641 -10.646 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -10.945 2.115 -9.126 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -10.428 1.782 -10.796 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -10.416 0.479 -9.584 1.00 0.00 H new ATOM 959 N TRP A 59 -6.145 1.932 -7.464 1.00 0.00 N ATOM 960 CA TRP A 59 -5.968 1.602 -6.026 1.00 0.00 C ATOM 961 C TRP A 59 -7.310 1.695 -5.298 1.00 0.00 C ATOM 962 O TRP A 59 -8.015 2.682 -5.380 1.00 0.00 O ATOM 963 CB TRP A 59 -4.961 2.572 -5.411 1.00 0.00 C ATOM 964 CG TRP A 59 -3.614 2.281 -5.987 1.00 0.00 C ATOM 965 CD1 TRP A 59 -3.019 2.984 -6.977 1.00 0.00 C ATOM 966 CD2 TRP A 59 -2.690 1.214 -5.630 1.00 0.00 C ATOM 967 NE1 TRP A 59 -1.791 2.410 -7.256 1.00 0.00 N ATOM 968 CE2 TRP A 59 -1.542 1.317 -6.450 1.00 0.00 C ATOM 969 CE3 TRP A 59 -2.740 0.179 -4.684 1.00 0.00 C ATOM 970 CZ2 TRP A 59 -0.481 0.418 -6.337 1.00 0.00 C ATOM 971 CZ3 TRP A 59 -1.673 -0.725 -4.564 1.00 0.00 C ATOM 972 CH2 TRP A 59 -0.546 -0.606 -5.389 1.00 0.00 C ATOM 0 H TRP A 59 -6.188 2.928 -7.681 1.00 0.00 H new ATOM 0 HA TRP A 59 -5.594 0.583 -5.927 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -5.249 3.602 -5.622 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -4.942 2.462 -4.327 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -3.434 3.851 -7.469 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -1.148 2.753 -7.970 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -3.604 0.077 -4.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 0.384 0.513 -6.977 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -1.721 -1.517 -3.831 1.00 0.00 H new ATOM 0 HH2 TRP A 59 0.271 -1.305 -5.292 1.00 0.00 H new ATOM 983 N ASP A 60 -7.654 0.661 -4.584 1.00 0.00 N ATOM 984 CA ASP A 60 -8.939 0.638 -3.831 1.00 0.00 C ATOM 985 C ASP A 60 -8.829 -0.410 -2.721 1.00 0.00 C ATOM 986 O ASP A 60 -7.862 -1.142 -2.649 1.00 0.00 O ATOM 987 CB ASP A 60 -10.084 0.268 -4.778 1.00 0.00 C ATOM 988 CG ASP A 60 -11.422 0.519 -4.081 1.00 0.00 C ATOM 989 OD1 ASP A 60 -11.406 1.045 -2.981 1.00 0.00 O ATOM 990 OD2 ASP A 60 -12.442 0.180 -4.661 1.00 0.00 O ATOM 0 H ASP A 60 -7.090 -0.183 -4.489 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.140 1.619 -3.401 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.021 0.860 -5.691 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.005 -0.779 -5.070 1.00 0.00 H new ATOM 995 N GLU A 61 -9.799 -0.493 -1.854 1.00 0.00 N ATOM 996 CA GLU A 61 -9.715 -1.498 -0.754 1.00 0.00 C ATOM 997 C GLU A 61 -9.526 -2.897 -1.348 1.00 0.00 C ATOM 998 O GLU A 61 -8.778 -3.704 -0.830 1.00 0.00 O ATOM 999 CB GLU A 61 -11.009 -1.468 0.063 1.00 0.00 C ATOM 1000 CG GLU A 61 -11.151 -0.108 0.748 1.00 0.00 C ATOM 1001 CD GLU A 61 -12.409 -0.106 1.618 1.00 0.00 C ATOM 1002 OE1 GLU A 61 -13.177 -1.049 1.516 1.00 0.00 O ATOM 1003 OE2 GLU A 61 -12.584 0.836 2.371 1.00 0.00 O ATOM 0 H GLU A 61 -10.640 0.085 -1.857 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.868 -1.258 -0.111 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.865 -1.651 -0.586 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.999 -2.263 0.809 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.272 0.097 1.360 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.211 0.683 0.001 1.00 0.00 H new ATOM 1010 N ASN A 62 -10.188 -3.192 -2.433 1.00 0.00 N ATOM 1011 CA ASN A 62 -10.034 -4.537 -3.050 1.00 0.00 C ATOM 1012 C ASN A 62 -8.682 -4.621 -3.762 1.00 0.00 C ATOM 1013 O ASN A 62 -7.939 -5.568 -3.597 1.00 0.00 O ATOM 1014 CB ASN A 62 -11.162 -4.759 -4.059 1.00 0.00 C ATOM 1015 CG ASN A 62 -10.744 -4.210 -5.420 1.00 0.00 C ATOM 1016 OD1 ASN A 62 -10.419 -3.045 -5.546 1.00 0.00 O ATOM 1017 ND2 ASN A 62 -10.734 -5.005 -6.452 1.00 0.00 N ATOM 0 H ASN A 62 -10.827 -2.561 -2.917 1.00 0.00 H new ATOM 0 HA ASN A 62 -10.080 -5.304 -2.277 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -11.389 -5.822 -4.138 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -12.071 -4.263 -3.719 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -10.453 -4.650 -7.366 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -11.007 -5.982 -6.346 1.00 0.00 H new ATOM 1024 N ASN A 63 -8.359 -3.636 -4.553 1.00 0.00 N ATOM 1025 CA ASN A 63 -7.057 -3.654 -5.275 1.00 0.00 C ATOM 1026 C ASN A 63 -5.903 -3.680 -4.272 1.00 0.00 C ATOM 1027 O ASN A 63 -4.901 -4.335 -4.481 1.00 0.00 O ATOM 1028 CB ASN A 63 -6.942 -2.404 -6.148 1.00 0.00 C ATOM 1029 CG ASN A 63 -5.706 -2.516 -7.039 1.00 0.00 C ATOM 1030 OD1 ASN A 63 -5.648 -3.352 -7.918 1.00 0.00 O ATOM 1031 ND2 ASN A 63 -4.703 -1.701 -6.844 1.00 0.00 N ATOM 0 H ASN A 63 -8.942 -2.818 -4.731 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.008 -4.546 -5.900 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.836 -2.292 -6.761 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -6.872 -1.515 -5.521 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -3.871 -1.767 -7.430 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -4.752 -0.999 -6.106 1.00 0.00 H new ATOM 1038 N MET A 64 -6.031 -2.968 -3.186 1.00 0.00 N ATOM 1039 CA MET A 64 -4.932 -2.951 -2.180 1.00 0.00 C ATOM 1040 C MET A 64 -4.671 -4.366 -1.671 1.00 0.00 C ATOM 1041 O MET A 64 -3.543 -4.764 -1.473 1.00 0.00 O ATOM 1042 CB MET A 64 -5.325 -2.057 -1.003 1.00 0.00 C ATOM 1043 CG MET A 64 -5.367 -0.601 -1.460 1.00 0.00 C ATOM 1044 SD MET A 64 -4.098 0.341 -0.581 1.00 0.00 S ATOM 1045 CE MET A 64 -4.362 1.911 -1.437 1.00 0.00 C ATOM 0 H MET A 64 -6.845 -2.400 -2.952 1.00 0.00 H new ATOM 0 HA MET A 64 -4.028 -2.563 -2.650 1.00 0.00 H new ATOM 0 HB2 MET A 64 -6.299 -2.356 -0.615 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.609 -2.173 -0.190 1.00 0.00 H new ATOM 0 HG2 MET A 64 -5.201 -0.541 -2.536 1.00 0.00 H new ATOM 0 HG3 MET A 64 -6.352 -0.176 -1.266 1.00 0.00 H new ATOM 0 HE1 MET A 64 -4.151 2.736 -0.757 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.697 1.972 -2.299 1.00 0.00 H new ATOM 0 HE3 MET A 64 -5.397 1.973 -1.772 1.00 0.00 H new ATOM 1055 N SER A 65 -5.701 -5.133 -1.453 1.00 0.00 N ATOM 1056 CA SER A 65 -5.484 -6.521 -0.951 1.00 0.00 C ATOM 1057 C SER A 65 -4.668 -7.319 -1.970 1.00 0.00 C ATOM 1058 O SER A 65 -3.843 -8.136 -1.613 1.00 0.00 O ATOM 1059 CB SER A 65 -6.834 -7.203 -0.728 1.00 0.00 C ATOM 1060 OG SER A 65 -7.512 -7.321 -1.972 1.00 0.00 O ATOM 0 H SER A 65 -6.674 -4.865 -1.598 1.00 0.00 H new ATOM 0 HA SER A 65 -4.939 -6.480 -0.008 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.688 -8.188 -0.286 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.435 -6.625 -0.027 1.00 0.00 H new ATOM 0 HG SER A 65 -7.690 -6.428 -2.333 1.00 0.00 H new ATOM 1066 N GLU A 66 -4.890 -7.091 -3.235 1.00 0.00 N ATOM 1067 CA GLU A 66 -4.125 -7.837 -4.272 1.00 0.00 C ATOM 1068 C GLU A 66 -2.660 -7.392 -4.264 1.00 0.00 C ATOM 1069 O GLU A 66 -1.759 -8.181 -4.475 1.00 0.00 O ATOM 1070 CB GLU A 66 -4.736 -7.552 -5.644 1.00 0.00 C ATOM 1071 CG GLU A 66 -6.156 -8.120 -5.700 1.00 0.00 C ATOM 1072 CD GLU A 66 -6.742 -7.895 -7.095 1.00 0.00 C ATOM 1073 OE1 GLU A 66 -6.118 -7.192 -7.872 1.00 0.00 O ATOM 1074 OE2 GLU A 66 -7.805 -8.431 -7.364 1.00 0.00 O ATOM 0 H GLU A 66 -5.569 -6.420 -3.595 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.172 -8.905 -4.058 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.755 -6.478 -5.829 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.123 -7.999 -6.427 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.142 -9.185 -5.467 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.782 -7.638 -4.949 1.00 0.00 H new ATOM 1081 N HIS A 67 -2.414 -6.131 -4.033 1.00 0.00 N ATOM 1082 CA HIS A 67 -1.010 -5.628 -4.025 1.00 0.00 C ATOM 1083 C HIS A 67 -0.208 -6.325 -2.928 1.00 0.00 C ATOM 1084 O HIS A 67 0.894 -6.782 -3.149 1.00 0.00 O ATOM 1085 CB HIS A 67 -1.026 -4.120 -3.770 1.00 0.00 C ATOM 1086 CG HIS A 67 0.371 -3.565 -3.873 1.00 0.00 C ATOM 1087 ND1 HIS A 67 1.098 -3.623 -5.051 1.00 0.00 N ATOM 1088 CD2 HIS A 67 1.180 -2.924 -2.965 1.00 0.00 C ATOM 1089 CE1 HIS A 67 2.287 -3.032 -4.827 1.00 0.00 C ATOM 1090 NE2 HIS A 67 2.385 -2.591 -3.573 1.00 0.00 N ATOM 0 H HIS A 67 -3.127 -5.425 -3.849 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.543 -5.838 -4.987 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -1.676 -3.627 -4.493 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -1.436 -3.914 -2.781 1.00 0.00 H new ATOM 0 HD1 HIS A 67 0.788 -4.038 -5.930 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.920 -2.712 -1.938 1.00 0.00 H new ATOM 0 HE1 HIS A 67 3.064 -2.928 -5.570 1.00 0.00 H new ATOM 1099 N LEU A 68 -0.748 -6.401 -1.746 1.00 0.00 N ATOM 1100 CA LEU A 68 -0.025 -7.062 -0.626 1.00 0.00 C ATOM 1101 C LEU A 68 0.017 -8.579 -0.839 1.00 0.00 C ATOM 1102 O LEU A 68 0.981 -9.235 -0.501 1.00 0.00 O ATOM 1103 CB LEU A 68 -0.748 -6.751 0.686 1.00 0.00 C ATOM 1104 CG LEU A 68 -0.428 -5.318 1.135 1.00 0.00 C ATOM 1105 CD1 LEU A 68 -0.540 -4.360 -0.052 1.00 0.00 C ATOM 1106 CD2 LEU A 68 -1.420 -4.890 2.219 1.00 0.00 C ATOM 0 H LEU A 68 -1.667 -6.030 -1.505 1.00 0.00 H new ATOM 0 HA LEU A 68 0.997 -6.686 -0.588 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.824 -6.868 0.555 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.442 -7.459 1.456 1.00 0.00 H new ATOM 0 HG LEU A 68 0.588 -5.288 1.529 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.311 -3.346 0.276 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.165 -4.658 -0.828 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.554 -4.392 -0.451 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.193 -3.873 2.538 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.434 -4.928 1.820 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.340 -5.564 3.072 1.00 0.00 H new ATOM 1118 N THR A 69 -1.027 -9.145 -1.378 1.00 0.00 N ATOM 1119 CA THR A 69 -1.050 -10.622 -1.591 1.00 0.00 C ATOM 1120 C THR A 69 0.081 -11.049 -2.530 1.00 0.00 C ATOM 1121 O THR A 69 0.702 -12.076 -2.340 1.00 0.00 O ATOM 1122 CB THR A 69 -2.393 -11.028 -2.203 1.00 0.00 C ATOM 1123 OG1 THR A 69 -3.450 -10.486 -1.425 1.00 0.00 O ATOM 1124 CG2 THR A 69 -2.503 -12.553 -2.226 1.00 0.00 C ATOM 0 H THR A 69 -1.866 -8.650 -1.681 1.00 0.00 H new ATOM 0 HA THR A 69 -0.914 -11.115 -0.628 1.00 0.00 H new ATOM 0 HB THR A 69 -2.460 -10.645 -3.221 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.810 -9.691 -1.871 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.459 -12.842 -2.662 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.691 -12.967 -2.824 1.00 0.00 H new ATOM 0 HG23 THR A 69 -2.437 -12.938 -1.208 1.00 0.00 H new ATOM 1132 N ASN A 70 0.346 -10.282 -3.549 1.00 0.00 N ATOM 1133 CA ASN A 70 1.427 -10.655 -4.504 1.00 0.00 C ATOM 1134 C ASN A 70 1.998 -9.389 -5.154 1.00 0.00 C ATOM 1135 O ASN A 70 1.808 -9.157 -6.332 1.00 0.00 O ATOM 1136 CB ASN A 70 0.842 -11.557 -5.593 1.00 0.00 C ATOM 1137 CG ASN A 70 -0.510 -11.004 -6.044 1.00 0.00 C ATOM 1138 OD1 ASN A 70 -1.506 -11.175 -5.369 1.00 0.00 O ATOM 1139 ND2 ASN A 70 -0.589 -10.341 -7.166 1.00 0.00 N ATOM 0 H ASN A 70 -0.140 -9.411 -3.763 1.00 0.00 H new ATOM 0 HA ASN A 70 2.220 -11.180 -3.971 1.00 0.00 H new ATOM 0 HB2 ASN A 70 1.525 -11.611 -6.441 1.00 0.00 H new ATOM 0 HB3 ASN A 70 0.723 -12.572 -5.214 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -1.486 -9.967 -7.475 1.00 0.00 H new ATOM 0 HD22 ASN A 70 0.246 -10.197 -7.733 1.00 0.00 H new ATOM 1146 N PRO A 71 2.685 -8.571 -4.398 1.00 0.00 N ATOM 1147 CA PRO A 71 3.280 -7.304 -4.924 1.00 0.00 C ATOM 1148 C PRO A 71 4.322 -7.552 -6.022 1.00 0.00 C ATOM 1149 O PRO A 71 4.700 -6.651 -6.744 1.00 0.00 O ATOM 1150 CB PRO A 71 3.937 -6.656 -3.701 1.00 0.00 C ATOM 1151 CG PRO A 71 4.090 -7.749 -2.697 1.00 0.00 C ATOM 1152 CD PRO A 71 2.975 -8.755 -2.967 1.00 0.00 C ATOM 0 HA PRO A 71 2.520 -6.677 -5.389 1.00 0.00 H new ATOM 0 HB2 PRO A 71 4.904 -6.224 -3.959 1.00 0.00 H new ATOM 0 HB3 PRO A 71 3.321 -5.847 -3.308 1.00 0.00 H new ATOM 0 HG2 PRO A 71 5.068 -8.222 -2.787 1.00 0.00 H new ATOM 0 HG3 PRO A 71 4.018 -7.355 -1.683 1.00 0.00 H new ATOM 0 HD2 PRO A 71 3.293 -9.775 -2.750 1.00 0.00 H new ATOM 0 HD3 PRO A 71 2.098 -8.557 -2.351 1.00 0.00 H new ATOM 1160 N ALA A 72 4.797 -8.762 -6.147 1.00 0.00 N ATOM 1161 CA ALA A 72 5.824 -9.057 -7.191 1.00 0.00 C ATOM 1162 C ALA A 72 5.192 -9.008 -8.586 1.00 0.00 C ATOM 1163 O ALA A 72 5.337 -8.042 -9.310 1.00 0.00 O ATOM 1164 CB ALA A 72 6.406 -10.451 -6.947 1.00 0.00 C ATOM 0 H ALA A 72 4.520 -9.558 -5.573 1.00 0.00 H new ATOM 0 HA ALA A 72 6.614 -8.308 -7.134 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.156 -10.670 -7.707 1.00 0.00 H new ATOM 0 HB2 ALA A 72 6.868 -10.485 -5.960 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.609 -11.192 -7.000 1.00 0.00 H new ATOM 1170 N LYS A 73 4.500 -10.045 -8.974 1.00 0.00 N ATOM 1171 CA LYS A 73 3.869 -10.063 -10.328 1.00 0.00 C ATOM 1172 C LYS A 73 2.925 -8.868 -10.475 1.00 0.00 C ATOM 1173 O LYS A 73 2.754 -8.325 -11.549 1.00 0.00 O ATOM 1174 CB LYS A 73 3.078 -11.360 -10.502 1.00 0.00 C ATOM 1175 CG LYS A 73 4.035 -12.553 -10.468 1.00 0.00 C ATOM 1176 CD LYS A 73 3.260 -13.840 -10.755 1.00 0.00 C ATOM 1177 CE LYS A 73 4.190 -15.043 -10.599 1.00 0.00 C ATOM 1178 NZ LYS A 73 3.418 -16.299 -10.815 1.00 0.00 N ATOM 0 H LYS A 73 4.343 -10.882 -8.412 1.00 0.00 H new ATOM 0 HA LYS A 73 4.647 -10.003 -11.089 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.335 -11.454 -9.710 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.535 -11.343 -11.447 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.825 -12.420 -11.207 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.518 -12.617 -9.493 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.416 -13.929 -10.071 1.00 0.00 H new ATOM 0 HD3 LYS A 73 2.850 -13.813 -11.765 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.009 -14.979 -11.316 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.637 -15.044 -9.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.050 -17.118 -10.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 2.652 -16.360 -10.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.012 -16.297 -11.773 1.00 0.00 H new ATOM 1192 N TYR A 74 2.305 -8.461 -9.405 1.00 0.00 N ATOM 1193 CA TYR A 74 1.366 -7.306 -9.471 1.00 0.00 C ATOM 1194 C TYR A 74 2.086 -6.072 -10.029 1.00 0.00 C ATOM 1195 O TYR A 74 1.608 -5.430 -10.943 1.00 0.00 O ATOM 1196 CB TYR A 74 0.869 -7.019 -8.057 1.00 0.00 C ATOM 1197 CG TYR A 74 -0.038 -5.814 -8.042 1.00 0.00 C ATOM 1198 CD1 TYR A 74 -1.404 -5.950 -8.318 1.00 0.00 C ATOM 1199 CD2 TYR A 74 0.489 -4.558 -7.725 1.00 0.00 C ATOM 1200 CE1 TYR A 74 -2.241 -4.828 -8.269 1.00 0.00 C ATOM 1201 CE2 TYR A 74 -0.344 -3.440 -7.682 1.00 0.00 C ATOM 1202 CZ TYR A 74 -1.708 -3.573 -7.950 1.00 0.00 C ATOM 1203 OH TYR A 74 -2.524 -2.467 -7.891 1.00 0.00 O ATOM 0 H TYR A 74 2.408 -8.881 -8.481 1.00 0.00 H new ATOM 0 HA TYR A 74 0.529 -7.541 -10.128 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.334 -7.887 -7.672 1.00 0.00 H new ATOM 0 HB3 TYR A 74 1.719 -6.849 -7.396 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -1.812 -6.918 -8.568 1.00 0.00 H new ATOM 0 HD2 TYR A 74 1.543 -4.453 -7.513 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -3.296 -4.931 -8.477 1.00 0.00 H new ATOM 0 HE2 TYR A 74 0.066 -2.470 -7.441 1.00 0.00 H new ATOM 0 HH TYR A 74 -2.131 -1.803 -7.287 1.00 0.00 H new ATOM 1213 N ILE A 75 3.233 -5.744 -9.499 1.00 0.00 N ATOM 1214 CA ILE A 75 3.980 -4.557 -10.011 1.00 0.00 C ATOM 1215 C ILE A 75 5.479 -4.878 -10.032 1.00 0.00 C ATOM 1216 O ILE A 75 6.218 -4.513 -9.140 1.00 0.00 O ATOM 1217 CB ILE A 75 3.707 -3.345 -9.104 1.00 0.00 C ATOM 1218 CG1 ILE A 75 2.349 -2.727 -9.468 1.00 0.00 C ATOM 1219 CG2 ILE A 75 4.808 -2.290 -9.270 1.00 0.00 C ATOM 1220 CD1 ILE A 75 2.495 -1.786 -10.670 1.00 0.00 C ATOM 0 H ILE A 75 3.686 -6.245 -8.735 1.00 0.00 H new ATOM 0 HA ILE A 75 3.650 -4.319 -11.022 1.00 0.00 H new ATOM 0 HB ILE A 75 3.695 -3.680 -8.067 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.634 -3.516 -9.701 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.952 -2.178 -8.614 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.598 -1.440 -8.621 1.00 0.00 H new ATOM 0 HG22 ILE A 75 5.771 -2.724 -9.000 1.00 0.00 H new ATOM 0 HG23 ILE A 75 4.838 -1.956 -10.307 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.524 -1.356 -10.916 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.194 -0.987 -10.424 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.871 -2.345 -11.527 1.00 0.00 H new ATOM 1232 N PRO A 76 5.923 -5.570 -11.045 1.00 0.00 N ATOM 1233 CA PRO A 76 7.350 -5.958 -11.196 1.00 0.00 C ATOM 1234 C PRO A 76 8.185 -4.854 -11.854 1.00 0.00 C ATOM 1235 O PRO A 76 7.696 -4.098 -12.667 1.00 0.00 O ATOM 1236 CB PRO A 76 7.280 -7.185 -12.100 1.00 0.00 C ATOM 1237 CG PRO A 76 6.057 -6.989 -12.941 1.00 0.00 C ATOM 1238 CD PRO A 76 5.110 -6.065 -12.164 1.00 0.00 C ATOM 0 HA PRO A 76 7.831 -6.143 -10.236 1.00 0.00 H new ATOM 0 HB2 PRO A 76 8.173 -7.269 -12.719 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.211 -8.102 -11.514 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.319 -6.549 -13.903 1.00 0.00 H new ATOM 0 HG3 PRO A 76 5.576 -7.945 -13.148 1.00 0.00 H new ATOM 0 HD2 PRO A 76 4.752 -5.246 -12.788 1.00 0.00 H new ATOM 0 HD3 PRO A 76 4.231 -6.603 -11.809 1.00 0.00 H new ATOM 1246 N GLY A 77 9.443 -4.765 -11.520 1.00 0.00 N ATOM 1247 CA GLY A 77 10.304 -3.717 -12.139 1.00 0.00 C ATOM 1248 C GLY A 77 10.396 -2.494 -11.224 1.00 0.00 C ATOM 1249 O GLY A 77 10.957 -1.481 -11.594 1.00 0.00 O ATOM 0 H GLY A 77 9.912 -5.371 -10.847 1.00 0.00 H new ATOM 0 HA2 GLY A 77 11.301 -4.118 -12.322 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.895 -3.426 -13.106 1.00 0.00 H new ATOM 1253 N THR A 78 9.853 -2.571 -10.037 1.00 0.00 N ATOM 1254 CA THR A 78 9.922 -1.402 -9.111 1.00 0.00 C ATOM 1255 C THR A 78 10.961 -1.669 -8.019 1.00 0.00 C ATOM 1256 O THR A 78 11.378 -2.789 -7.803 1.00 0.00 O ATOM 1257 CB THR A 78 8.544 -1.161 -8.475 1.00 0.00 C ATOM 1258 OG1 THR A 78 8.569 0.062 -7.752 1.00 0.00 O ATOM 1259 CG2 THR A 78 8.176 -2.307 -7.526 1.00 0.00 C ATOM 0 H THR A 78 9.367 -3.389 -9.670 1.00 0.00 H new ATOM 0 HA THR A 78 10.215 -0.515 -9.673 1.00 0.00 H new ATOM 0 HB THR A 78 7.796 -1.112 -9.267 1.00 0.00 H new ATOM 0 HG1 THR A 78 7.691 0.220 -7.346 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.197 -2.116 -7.087 1.00 0.00 H new ATOM 0 HG22 THR A 78 8.148 -3.244 -8.081 1.00 0.00 H new ATOM 0 HG23 THR A 78 8.921 -2.377 -6.734 1.00 0.00 H new ATOM 1267 N LYS A 79 11.383 -0.644 -7.330 1.00 0.00 N ATOM 1268 CA LYS A 79 12.396 -0.831 -6.252 1.00 0.00 C ATOM 1269 C LYS A 79 11.695 -1.327 -4.986 1.00 0.00 C ATOM 1270 O LYS A 79 12.316 -1.548 -3.964 1.00 0.00 O ATOM 1271 CB LYS A 79 13.076 0.509 -5.964 1.00 0.00 C ATOM 1272 CG LYS A 79 13.742 1.030 -7.240 1.00 0.00 C ATOM 1273 CD LYS A 79 14.519 2.310 -6.925 1.00 0.00 C ATOM 1274 CE LYS A 79 13.544 3.399 -6.468 1.00 0.00 C ATOM 1275 NZ LYS A 79 13.549 3.478 -4.980 1.00 0.00 N ATOM 0 H LYS A 79 11.069 0.317 -7.467 1.00 0.00 H new ATOM 0 HA LYS A 79 13.142 -1.560 -6.567 1.00 0.00 H new ATOM 0 HB2 LYS A 79 12.343 1.231 -5.603 1.00 0.00 H new ATOM 0 HB3 LYS A 79 13.820 0.389 -5.176 1.00 0.00 H new ATOM 0 HG2 LYS A 79 14.415 0.275 -7.646 1.00 0.00 H new ATOM 0 HG3 LYS A 79 12.988 1.228 -8.002 1.00 0.00 H new ATOM 0 HD2 LYS A 79 15.257 2.118 -6.146 1.00 0.00 H new ATOM 0 HD3 LYS A 79 15.065 2.643 -7.807 1.00 0.00 H new ATOM 0 HE2 LYS A 79 13.830 4.360 -6.895 1.00 0.00 H new ATOM 0 HE3 LYS A 79 12.539 3.177 -6.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 12.571 3.538 -4.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 14.004 2.629 -4.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 14.076 4.323 -4.679 1.00 0.00 H new ATOM 1289 N MET A 80 10.403 -1.495 -5.045 1.00 0.00 N ATOM 1290 CA MET A 80 9.652 -1.969 -3.849 1.00 0.00 C ATOM 1291 C MET A 80 9.688 -3.496 -3.780 1.00 0.00 C ATOM 1292 O MET A 80 9.385 -4.181 -4.737 1.00 0.00 O ATOM 1293 CB MET A 80 8.199 -1.498 -3.949 1.00 0.00 C ATOM 1294 CG MET A 80 7.429 -1.932 -2.701 1.00 0.00 C ATOM 1295 SD MET A 80 5.805 -1.132 -2.688 1.00 0.00 S ATOM 1296 CE MET A 80 4.857 -2.550 -2.086 1.00 0.00 C ATOM 0 H MET A 80 9.833 -1.324 -5.873 1.00 0.00 H new ATOM 0 HA MET A 80 10.113 -1.561 -2.949 1.00 0.00 H new ATOM 0 HB2 MET A 80 8.164 -0.413 -4.050 1.00 0.00 H new ATOM 0 HB3 MET A 80 7.732 -1.917 -4.840 1.00 0.00 H new ATOM 0 HG2 MET A 80 7.313 -3.016 -2.690 1.00 0.00 H new ATOM 0 HG3 MET A 80 7.987 -1.662 -1.804 1.00 0.00 H new ATOM 0 HE1 MET A 80 3.883 -2.213 -1.733 1.00 0.00 H new ATOM 0 HE2 MET A 80 4.721 -3.267 -2.896 1.00 0.00 H new ATOM 0 HE3 MET A 80 5.395 -3.026 -1.266 1.00 0.00 H new ATOM 1306 N ALA A 81 10.049 -4.033 -2.645 1.00 0.00 N ATOM 1307 CA ALA A 81 10.100 -5.517 -2.498 1.00 0.00 C ATOM 1308 C ALA A 81 9.420 -5.916 -1.189 1.00 0.00 C ATOM 1309 O ALA A 81 10.057 -6.075 -0.168 1.00 0.00 O ATOM 1310 CB ALA A 81 11.555 -5.981 -2.475 1.00 0.00 C ATOM 0 H ALA A 81 10.311 -3.507 -1.812 1.00 0.00 H new ATOM 0 HA ALA A 81 9.586 -5.984 -3.338 1.00 0.00 H new ATOM 0 HB1 ALA A 81 11.590 -7.065 -2.368 1.00 0.00 H new ATOM 0 HB2 ALA A 81 12.044 -5.693 -3.406 1.00 0.00 H new ATOM 0 HB3 ALA A 81 12.072 -5.517 -1.635 1.00 0.00 H new ATOM 1316 N PHE A 82 8.128 -6.073 -1.217 1.00 0.00 N ATOM 1317 CA PHE A 82 7.391 -6.456 0.020 1.00 0.00 C ATOM 1318 C PHE A 82 6.995 -7.933 -0.055 1.00 0.00 C ATOM 1319 O PHE A 82 6.486 -8.398 -1.055 1.00 0.00 O ATOM 1320 CB PHE A 82 6.130 -5.599 0.142 1.00 0.00 C ATOM 1321 CG PHE A 82 5.428 -5.908 1.443 1.00 0.00 C ATOM 1322 CD1 PHE A 82 5.783 -5.223 2.612 1.00 0.00 C ATOM 1323 CD2 PHE A 82 4.421 -6.880 1.480 1.00 0.00 C ATOM 1324 CE1 PHE A 82 5.131 -5.510 3.816 1.00 0.00 C ATOM 1325 CE2 PHE A 82 3.771 -7.167 2.685 1.00 0.00 C ATOM 1326 CZ PHE A 82 4.124 -6.482 3.852 1.00 0.00 C ATOM 0 H PHE A 82 7.547 -5.952 -2.046 1.00 0.00 H new ATOM 0 HA PHE A 82 8.030 -6.296 0.888 1.00 0.00 H new ATOM 0 HB2 PHE A 82 6.392 -4.542 0.101 1.00 0.00 H new ATOM 0 HB3 PHE A 82 5.463 -5.795 -0.698 1.00 0.00 H new ATOM 0 HD1 PHE A 82 6.560 -4.473 2.584 1.00 0.00 H new ATOM 0 HD2 PHE A 82 4.146 -7.408 0.579 1.00 0.00 H new ATOM 0 HE1 PHE A 82 5.404 -4.982 4.718 1.00 0.00 H new ATOM 0 HE2 PHE A 82 2.996 -7.918 2.714 1.00 0.00 H new ATOM 0 HZ PHE A 82 3.620 -6.703 4.781 1.00 0.00 H new ATOM 1336 N GLY A 83 7.219 -8.675 0.994 1.00 0.00 N ATOM 1337 CA GLY A 83 6.848 -10.118 0.971 1.00 0.00 C ATOM 1338 C GLY A 83 5.330 -10.253 1.117 1.00 0.00 C ATOM 1339 O GLY A 83 4.710 -9.565 1.905 1.00 0.00 O ATOM 0 H GLY A 83 7.641 -8.347 1.863 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.177 -10.575 0.038 1.00 0.00 H new ATOM 0 HA3 GLY A 83 7.351 -10.648 1.780 1.00 0.00 H new ATOM 1343 N GLY A 84 4.724 -11.130 0.363 1.00 0.00 N ATOM 1344 CA GLY A 84 3.246 -11.302 0.464 1.00 0.00 C ATOM 1345 C GLY A 84 2.903 -11.954 1.805 1.00 0.00 C ATOM 1346 O GLY A 84 3.652 -12.759 2.323 1.00 0.00 O ATOM 0 H GLY A 84 5.187 -11.733 -0.317 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.749 -10.336 0.379 1.00 0.00 H new ATOM 0 HA3 GLY A 84 2.883 -11.920 -0.357 1.00 0.00 H new ATOM 1350 N LEU A 85 1.777 -11.614 2.377 1.00 0.00 N ATOM 1351 CA LEU A 85 1.401 -12.220 3.688 1.00 0.00 C ATOM 1352 C LEU A 85 0.491 -13.427 3.452 1.00 0.00 C ATOM 1353 O LEU A 85 -0.529 -13.331 2.800 1.00 0.00 O ATOM 1354 CB LEU A 85 0.661 -11.182 4.537 1.00 0.00 C ATOM 1355 CG LEU A 85 1.519 -9.925 4.673 1.00 0.00 C ATOM 1356 CD1 LEU A 85 0.826 -8.931 5.604 1.00 0.00 C ATOM 1357 CD2 LEU A 85 2.884 -10.298 5.255 1.00 0.00 C ATOM 0 H LEU A 85 1.106 -10.947 1.996 1.00 0.00 H new ATOM 0 HA LEU A 85 2.302 -12.542 4.210 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.295 -10.934 4.075 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.441 -11.593 5.522 1.00 0.00 H new ATOM 0 HG LEU A 85 1.653 -9.471 3.691 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.439 -8.035 5.700 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.147 -8.663 5.191 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.691 -9.385 6.586 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.496 -9.401 5.352 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.749 -10.753 6.236 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.381 -11.006 4.592 1.00 0.00 H new ATOM 1369 N LYS A 86 0.856 -14.562 3.981 1.00 0.00 N ATOM 1370 CA LYS A 86 0.020 -15.781 3.792 1.00 0.00 C ATOM 1371 C LYS A 86 -1.335 -15.606 4.485 1.00 0.00 C ATOM 1372 O LYS A 86 -2.344 -16.096 4.020 1.00 0.00 O ATOM 1373 CB LYS A 86 0.744 -16.990 4.389 1.00 0.00 C ATOM 1374 CG LYS A 86 2.060 -17.216 3.640 1.00 0.00 C ATOM 1375 CD LYS A 86 2.676 -18.546 4.079 1.00 0.00 C ATOM 1376 CE LYS A 86 3.062 -18.468 5.558 1.00 0.00 C ATOM 1377 NZ LYS A 86 1.886 -18.835 6.398 1.00 0.00 N ATOM 0 H LYS A 86 1.700 -14.698 4.538 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.145 -15.938 2.726 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.940 -16.824 5.448 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.115 -17.877 4.316 1.00 0.00 H new ATOM 0 HG2 LYS A 86 1.882 -17.223 2.565 1.00 0.00 H new ATOM 0 HG3 LYS A 86 2.751 -16.398 3.843 1.00 0.00 H new ATOM 0 HD2 LYS A 86 1.966 -19.358 3.920 1.00 0.00 H new ATOM 0 HD3 LYS A 86 3.555 -18.769 3.474 1.00 0.00 H new ATOM 0 HE2 LYS A 86 3.894 -19.142 5.764 1.00 0.00 H new ATOM 0 HE3 LYS A 86 3.399 -17.461 5.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 1.566 -18.001 6.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 1.115 -19.172 5.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.156 -19.588 7.063 1.00 0.00 H new ATOM 1391 N LYS A 87 -1.368 -14.923 5.599 1.00 0.00 N ATOM 1392 CA LYS A 87 -2.663 -14.742 6.317 1.00 0.00 C ATOM 1393 C LYS A 87 -3.425 -13.550 5.737 1.00 0.00 C ATOM 1394 O LYS A 87 -2.907 -12.458 5.623 1.00 0.00 O ATOM 1395 CB LYS A 87 -2.400 -14.498 7.802 1.00 0.00 C ATOM 1396 CG LYS A 87 -1.777 -15.749 8.421 1.00 0.00 C ATOM 1397 CD LYS A 87 -1.686 -15.566 9.935 1.00 0.00 C ATOM 1398 CE LYS A 87 -0.951 -16.759 10.551 1.00 0.00 C ATOM 1399 NZ LYS A 87 0.199 -16.268 11.363 1.00 0.00 N ATOM 0 H LYS A 87 -0.559 -14.485 6.040 1.00 0.00 H new ATOM 0 HA LYS A 87 -3.261 -15.645 6.194 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.733 -13.646 7.929 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.332 -14.252 8.312 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.380 -16.626 8.184 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -0.785 -15.921 8.003 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -1.159 -14.641 10.169 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.685 -15.481 10.362 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -1.632 -17.336 11.177 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -0.597 -17.427 9.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 0.699 -17.078 11.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 0.852 -15.736 10.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -0.151 -15.648 12.121 1.00 0.00 H new ATOM 1413 N GLU A 88 -4.660 -13.761 5.376 1.00 0.00 N ATOM 1414 CA GLU A 88 -5.479 -12.654 4.805 1.00 0.00 C ATOM 1415 C GLU A 88 -5.962 -11.727 5.925 1.00 0.00 C ATOM 1416 O GLU A 88 -6.075 -10.531 5.745 1.00 0.00 O ATOM 1417 CB GLU A 88 -6.688 -13.243 4.076 1.00 0.00 C ATOM 1418 CG GLU A 88 -7.457 -12.122 3.375 1.00 0.00 C ATOM 1419 CD GLU A 88 -8.721 -12.694 2.729 1.00 0.00 C ATOM 1420 OE1 GLU A 88 -8.946 -13.884 2.872 1.00 0.00 O ATOM 1421 OE2 GLU A 88 -9.440 -11.932 2.105 1.00 0.00 O ATOM 0 H GLU A 88 -5.140 -14.658 5.452 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.869 -12.081 4.106 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -6.361 -13.985 3.347 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -7.338 -13.757 4.784 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -7.722 -11.345 4.092 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.828 -11.655 2.617 1.00 0.00 H new ATOM 1428 N LYS A 89 -6.265 -12.272 7.073 1.00 0.00 N ATOM 1429 CA LYS A 89 -6.764 -11.420 8.194 1.00 0.00 C ATOM 1430 C LYS A 89 -5.740 -10.331 8.524 1.00 0.00 C ATOM 1431 O LYS A 89 -6.084 -9.176 8.688 1.00 0.00 O ATOM 1432 CB LYS A 89 -6.992 -12.291 9.431 1.00 0.00 C ATOM 1433 CG LYS A 89 -8.105 -13.301 9.147 1.00 0.00 C ATOM 1434 CD LYS A 89 -8.415 -14.092 10.420 1.00 0.00 C ATOM 1435 CE LYS A 89 -9.441 -15.182 10.108 1.00 0.00 C ATOM 1436 NZ LYS A 89 -10.410 -15.289 11.235 1.00 0.00 N ATOM 0 H LYS A 89 -6.189 -13.267 7.284 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.701 -10.950 7.894 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -6.072 -12.813 9.696 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -7.261 -11.667 10.283 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -9.000 -12.784 8.801 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -7.800 -13.979 8.350 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -7.502 -14.539 10.814 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.801 -13.424 11.190 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -9.967 -14.947 9.183 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -8.938 -16.137 9.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -11.108 -16.030 11.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -9.901 -15.532 12.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -10.898 -14.379 11.361 1.00 0.00 H new ATOM 1450 N ASP A 90 -4.487 -10.679 8.618 1.00 0.00 N ATOM 1451 CA ASP A 90 -3.457 -9.654 8.933 1.00 0.00 C ATOM 1452 C ASP A 90 -3.426 -8.615 7.812 1.00 0.00 C ATOM 1453 O ASP A 90 -3.284 -7.430 8.048 1.00 0.00 O ATOM 1454 CB ASP A 90 -2.091 -10.330 9.045 1.00 0.00 C ATOM 1455 CG ASP A 90 -2.076 -11.252 10.266 1.00 0.00 C ATOM 1456 OD1 ASP A 90 -2.988 -11.152 11.070 1.00 0.00 O ATOM 1457 OD2 ASP A 90 -1.154 -12.042 10.375 1.00 0.00 O ATOM 0 H ASP A 90 -4.133 -11.627 8.490 1.00 0.00 H new ATOM 0 HA ASP A 90 -3.697 -9.165 9.877 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -1.882 -10.902 8.141 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -1.307 -9.578 9.135 1.00 0.00 H new ATOM 1462 N ARG A 91 -3.556 -9.056 6.593 1.00 0.00 N ATOM 1463 CA ARG A 91 -3.535 -8.112 5.442 1.00 0.00 C ATOM 1464 C ARG A 91 -4.670 -7.094 5.581 1.00 0.00 C ATOM 1465 O ARG A 91 -4.508 -5.923 5.295 1.00 0.00 O ATOM 1466 CB ARG A 91 -3.724 -8.909 4.151 1.00 0.00 C ATOM 1467 CG ARG A 91 -3.545 -7.994 2.940 1.00 0.00 C ATOM 1468 CD ARG A 91 -3.875 -8.776 1.669 1.00 0.00 C ATOM 1469 NE ARG A 91 -3.035 -10.008 1.618 1.00 0.00 N ATOM 1470 CZ ARG A 91 -3.488 -11.094 1.050 1.00 0.00 C ATOM 1471 NH1 ARG A 91 -4.672 -11.104 0.501 1.00 0.00 N ATOM 1472 NH2 ARG A 91 -2.753 -12.171 1.028 1.00 0.00 N ATOM 0 H ARG A 91 -3.677 -10.037 6.343 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.583 -7.581 5.421 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.003 -9.726 4.110 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -4.717 -9.359 4.134 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -4.197 -7.124 3.026 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -2.521 -7.622 2.898 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -4.932 -9.042 1.655 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -3.690 -8.159 0.790 1.00 0.00 H new ATOM 0 HE ARG A 91 -2.101 -10.002 2.029 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -5.247 -10.262 0.514 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -5.022 -11.954 0.059 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -1.826 -12.165 1.454 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -3.105 -13.020 0.585 1.00 0.00 H new ATOM 1486 N ASN A 92 -5.823 -7.534 6.006 1.00 0.00 N ATOM 1487 CA ASN A 92 -6.976 -6.599 6.150 1.00 0.00 C ATOM 1488 C ASN A 92 -6.629 -5.472 7.126 1.00 0.00 C ATOM 1489 O ASN A 92 -6.951 -4.322 6.898 1.00 0.00 O ATOM 1490 CB ASN A 92 -8.186 -7.370 6.682 1.00 0.00 C ATOM 1491 CG ASN A 92 -9.420 -6.467 6.661 1.00 0.00 C ATOM 1492 OD1 ASN A 92 -9.823 -5.947 7.683 1.00 0.00 O ATOM 1493 ND2 ASN A 92 -10.043 -6.260 5.535 1.00 0.00 N ATOM 0 H ASN A 92 -6.017 -8.503 6.260 1.00 0.00 H new ATOM 0 HA ASN A 92 -7.205 -6.167 5.176 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -8.361 -8.257 6.073 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -7.992 -7.715 7.698 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -10.869 -5.662 5.512 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -9.705 -6.696 4.677 1.00 0.00 H new ATOM 1500 N ASP A 93 -5.988 -5.788 8.219 1.00 0.00 N ATOM 1501 CA ASP A 93 -5.641 -4.734 9.206 1.00 0.00 C ATOM 1502 C ASP A 93 -4.676 -3.724 8.581 1.00 0.00 C ATOM 1503 O ASP A 93 -4.784 -2.534 8.803 1.00 0.00 O ATOM 1504 CB ASP A 93 -4.985 -5.391 10.416 1.00 0.00 C ATOM 1505 CG ASP A 93 -5.999 -6.297 11.118 1.00 0.00 C ATOM 1506 OD1 ASP A 93 -7.178 -6.162 10.834 1.00 0.00 O ATOM 1507 OD2 ASP A 93 -5.579 -7.110 11.924 1.00 0.00 O ATOM 0 H ASP A 93 -5.691 -6.731 8.468 1.00 0.00 H new ATOM 0 HA ASP A 93 -6.546 -4.208 9.512 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -4.118 -5.973 10.102 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -4.624 -4.628 11.106 1.00 0.00 H new ATOM 1512 N LEU A 94 -3.730 -4.181 7.806 1.00 0.00 N ATOM 1513 CA LEU A 94 -2.763 -3.234 7.183 1.00 0.00 C ATOM 1514 C LEU A 94 -3.517 -2.233 6.305 1.00 0.00 C ATOM 1515 O LEU A 94 -3.244 -1.048 6.324 1.00 0.00 O ATOM 1516 CB LEU A 94 -1.758 -4.018 6.336 1.00 0.00 C ATOM 1517 CG LEU A 94 -0.706 -3.065 5.765 1.00 0.00 C ATOM 1518 CD1 LEU A 94 0.022 -2.360 6.911 1.00 0.00 C ATOM 1519 CD2 LEU A 94 0.306 -3.862 4.941 1.00 0.00 C ATOM 0 H LEU A 94 -3.586 -5.165 7.578 1.00 0.00 H new ATOM 0 HA LEU A 94 -2.229 -2.691 7.963 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.276 -4.784 6.943 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.275 -4.532 5.525 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.194 -2.324 5.132 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.771 -1.681 6.503 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.696 -1.794 7.504 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.510 -3.102 7.543 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.057 -3.185 4.533 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.792 -4.601 5.578 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.208 -4.368 4.124 1.00 0.00 H new ATOM 1531 N ILE A 95 -4.473 -2.693 5.546 1.00 0.00 N ATOM 1532 CA ILE A 95 -5.246 -1.757 4.684 1.00 0.00 C ATOM 1533 C ILE A 95 -6.026 -0.791 5.575 1.00 0.00 C ATOM 1534 O ILE A 95 -6.176 0.375 5.269 1.00 0.00 O ATOM 1535 CB ILE A 95 -6.224 -2.550 3.820 1.00 0.00 C ATOM 1536 CG1 ILE A 95 -5.449 -3.534 2.941 1.00 0.00 C ATOM 1537 CG2 ILE A 95 -7.017 -1.589 2.932 1.00 0.00 C ATOM 1538 CD1 ILE A 95 -6.434 -4.427 2.184 1.00 0.00 C ATOM 0 H ILE A 95 -4.751 -3.672 5.486 1.00 0.00 H new ATOM 0 HA ILE A 95 -4.564 -1.200 4.041 1.00 0.00 H new ATOM 0 HB ILE A 95 -6.910 -3.101 4.463 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.819 -2.991 2.237 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -4.787 -4.144 3.556 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.715 -2.155 2.315 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.571 -0.889 3.557 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.331 -1.037 2.290 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.882 -5.128 1.558 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.045 -4.981 2.897 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -7.077 -3.809 1.557 1.00 0.00 H new ATOM 1550 N THR A 96 -6.529 -1.279 6.675 1.00 0.00 N ATOM 1551 CA THR A 96 -7.309 -0.412 7.598 1.00 0.00 C ATOM 1552 C THR A 96 -6.431 0.735 8.106 1.00 0.00 C ATOM 1553 O THR A 96 -6.880 1.855 8.245 1.00 0.00 O ATOM 1554 CB THR A 96 -7.788 -1.251 8.785 1.00 0.00 C ATOM 1555 OG1 THR A 96 -8.371 -2.454 8.306 1.00 0.00 O ATOM 1556 CG2 THR A 96 -8.829 -0.466 9.583 1.00 0.00 C ATOM 0 H THR A 96 -6.432 -2.249 6.975 1.00 0.00 H new ATOM 0 HA THR A 96 -8.165 0.005 7.067 1.00 0.00 H new ATOM 0 HB THR A 96 -6.940 -1.485 9.429 1.00 0.00 H new ATOM 0 HG1 THR A 96 -7.667 -3.048 7.972 1.00 0.00 H new ATOM 0 HG21 THR A 96 -9.168 -1.066 10.427 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.384 0.459 9.950 1.00 0.00 H new ATOM 0 HG23 THR A 96 -9.678 -0.231 8.941 1.00 0.00 H new ATOM 1564 N TYR A 97 -5.186 0.466 8.397 1.00 0.00 N ATOM 1565 CA TYR A 97 -4.295 1.548 8.909 1.00 0.00 C ATOM 1566 C TYR A 97 -4.202 2.680 7.883 1.00 0.00 C ATOM 1567 O TYR A 97 -4.406 3.834 8.206 1.00 0.00 O ATOM 1568 CB TYR A 97 -2.899 0.977 9.168 1.00 0.00 C ATOM 1569 CG TYR A 97 -2.013 2.056 9.744 1.00 0.00 C ATOM 1570 CD1 TYR A 97 -2.085 2.369 11.107 1.00 0.00 C ATOM 1571 CD2 TYR A 97 -1.119 2.743 8.914 1.00 0.00 C ATOM 1572 CE1 TYR A 97 -1.263 3.366 11.640 1.00 0.00 C ATOM 1573 CE2 TYR A 97 -0.296 3.742 9.449 1.00 0.00 C ATOM 1574 CZ TYR A 97 -0.367 4.054 10.811 1.00 0.00 C ATOM 1575 OH TYR A 97 0.443 5.038 11.337 1.00 0.00 O ATOM 0 H TYR A 97 -4.749 -0.451 8.303 1.00 0.00 H new ATOM 0 HA TYR A 97 -4.708 1.942 9.837 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -2.961 0.135 9.858 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.472 0.597 8.240 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -2.776 1.840 11.747 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -1.064 2.503 7.862 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -1.319 3.606 12.691 1.00 0.00 H new ATOM 0 HE2 TYR A 97 0.394 4.272 8.809 1.00 0.00 H new ATOM 0 HH TYR A 97 1.005 5.414 10.627 1.00 0.00 H new ATOM 1585 N LEU A 98 -3.912 2.368 6.649 1.00 0.00 N ATOM 1586 CA LEU A 98 -3.828 3.443 5.624 1.00 0.00 C ATOM 1587 C LEU A 98 -5.224 4.002 5.369 1.00 0.00 C ATOM 1588 O LEU A 98 -5.401 5.181 5.136 1.00 0.00 O ATOM 1589 CB LEU A 98 -3.251 2.878 4.323 1.00 0.00 C ATOM 1590 CG LEU A 98 -1.790 2.476 4.533 1.00 0.00 C ATOM 1591 CD1 LEU A 98 -1.236 1.876 3.240 1.00 0.00 C ATOM 1592 CD2 LEU A 98 -0.972 3.716 4.902 1.00 0.00 C ATOM 0 H LEU A 98 -3.731 1.423 6.310 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.175 4.238 5.984 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.833 2.014 4.002 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.322 3.622 3.530 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.727 1.740 5.335 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.195 1.589 3.389 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.819 0.996 2.968 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.298 2.614 2.440 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.070 3.433 5.052 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.037 4.448 4.097 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.366 4.152 5.820 1.00 0.00 H new ATOM 1604 N LYS A 99 -6.221 3.163 5.418 1.00 0.00 N ATOM 1605 CA LYS A 99 -7.607 3.647 5.183 1.00 0.00 C ATOM 1606 C LYS A 99 -7.935 4.730 6.215 1.00 0.00 C ATOM 1607 O LYS A 99 -8.550 5.730 5.907 1.00 0.00 O ATOM 1608 CB LYS A 99 -8.585 2.476 5.336 1.00 0.00 C ATOM 1609 CG LYS A 99 -10.008 2.922 4.983 1.00 0.00 C ATOM 1610 CD LYS A 99 -10.204 2.893 3.465 1.00 0.00 C ATOM 1611 CE LYS A 99 -11.650 3.261 3.130 1.00 0.00 C ATOM 1612 NZ LYS A 99 -12.574 2.517 4.031 1.00 0.00 N ATOM 0 H LYS A 99 -6.135 2.165 5.610 1.00 0.00 H new ATOM 0 HA LYS A 99 -7.694 4.059 4.178 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -8.283 1.654 4.687 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -8.557 2.101 6.359 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -10.733 2.266 5.464 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -10.187 3.928 5.362 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -9.519 3.593 2.986 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -9.970 1.902 3.076 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -11.799 4.335 3.245 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -11.866 3.019 2.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -13.554 2.647 3.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -12.335 1.505 4.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -12.479 2.879 5.001 1.00 0.00 H new ATOM 1626 N LYS A 100 -7.524 4.536 7.438 1.00 0.00 N ATOM 1627 CA LYS A 100 -7.802 5.553 8.490 1.00 0.00 C ATOM 1628 C LYS A 100 -7.160 6.882 8.094 1.00 0.00 C ATOM 1629 O LYS A 100 -7.730 7.940 8.271 1.00 0.00 O ATOM 1630 CB LYS A 100 -7.205 5.078 9.813 1.00 0.00 C ATOM 1631 CG LYS A 100 -7.567 6.064 10.922 1.00 0.00 C ATOM 1632 CD LYS A 100 -6.865 5.641 12.212 1.00 0.00 C ATOM 1633 CE LYS A 100 -7.377 6.492 13.376 1.00 0.00 C ATOM 1634 NZ LYS A 100 -8.482 5.774 14.070 1.00 0.00 N ATOM 0 H LYS A 100 -7.007 3.716 7.754 1.00 0.00 H new ATOM 0 HA LYS A 100 -8.878 5.687 8.597 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.582 4.085 10.058 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.122 4.995 9.726 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.265 7.073 10.642 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -8.647 6.084 11.070 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -7.051 4.585 12.410 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -5.787 5.760 12.107 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -6.566 6.696 14.075 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -7.730 7.455 13.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -8.829 6.353 14.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -9.259 5.601 13.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -8.131 4.865 14.434 1.00 0.00 H new ATOM 1648 N ALA A 101 -5.970 6.829 7.564 1.00 0.00 N ATOM 1649 CA ALA A 101 -5.275 8.083 7.156 1.00 0.00 C ATOM 1650 C ALA A 101 -6.098 8.808 6.089 1.00 0.00 C ATOM 1651 O ALA A 101 -6.071 10.019 5.992 1.00 0.00 O ATOM 1652 CB ALA A 101 -3.897 7.738 6.589 1.00 0.00 C ATOM 0 H ALA A 101 -5.447 5.970 7.395 1.00 0.00 H new ATOM 0 HA ALA A 101 -5.162 8.732 8.025 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -3.387 8.654 6.290 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.308 7.227 7.350 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -4.013 7.087 5.722 1.00 0.00 H new