USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 848 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: B 49 THR OG1 : rot -0:sc= -2.27! USER MOD Set 1.2: B 51 THR OG1 : rot -51:sc= -1.58! USER MOD Set 2.1: B 8 ASN : amide:sc= -1.74! X(o=-1.7!,f=-1.7) USER MOD Set 2.2: B 55 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: B 1 MET CE :methyl -158:sc= -2.73 (180deg=-1.61) USER MOD Set 3.2: B 1 MET N :NH3+ 158:sc= -0.407 (180deg=0.548) USER MOD Set 3.3: B 3 TYR OH : rot 180:sc= -0.801 USER MOD Set 4.1: A 49 THR OG1 : rot -1:sc= -2.29! USER MOD Set 4.2: A 51 THR OG1 : rot -49:sc= -1.88! USER MOD Set 5.1: A 8 ASN : amide:sc= -1.52! X(o=-1.5!,f=-1.7) USER MOD Set 5.2: A 55 THR OG1 : rot 180:sc= 0 USER MOD Set 6.1: A 1 MET CE :methyl -151:sc= -1.96 (180deg=-1.34) USER MOD Set 6.2: A 1 MET N :NH3+ 159:sc= -0.346 (180deg=0.385) USER MOD Set 6.3: A 3 TYR OH : rot 180:sc= -0.829 USER MOD Single : A 2 GLN : amide:sc= -19.5! C(o=-20!,f=-29!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.115) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -130:sc= 0.718 (180deg=-2.82!) USER MOD Single : A 16 THR OG1 : rot 180:sc= -1.45 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.142 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -112:sc= -2.67! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.591) USER MOD Single : A 32 GLN :FLIP amide:sc= -0.215 F(o=-1.3!,f=-0.22) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.371 K(o=-0.37,f=-0.97) USER MOD Single : A 37 ASN : amide:sc= -5.35! C(o=-5.3!,f=-5.9!) USER MOD Single : A 44 THR OG1 : rot 67:sc= -0.401 USER MOD Single : A 45 TYR OH : rot -138:sc= 0.027 USER MOD Single : A 50 LYS NZ :NH3+ -149:sc= -0.139 (180deg=-0.832) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0469 USER MOD Single : B 2 GLN : amide:sc= -18.7! C(o=-19!,f=-28!) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.11) USER MOD Single : B 11 THR OG1 : rot 180:sc= 0 USER MOD Single : B 13 LYS NZ :NH3+ -132:sc= 0.735 (180deg=-2.79!) USER MOD Single : B 16 THR OG1 : rot 180:sc= -1.5 USER MOD Single : B 17 THR OG1 : rot 180:sc= -0.174 USER MOD Single : B 18 THR OG1 : rot 180:sc= 0 USER MOD Single : B 25 THR OG1 : rot -110:sc= -2.61! USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 LYS NZ :NH3+ -157:sc=-0.000706 (180deg=-0.557) USER MOD Single : B 32 GLN :FLIP amide:sc= -0.358 F(o=-1,f=-0.36) USER MOD Single : B 33 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 ASN : amide:sc= -5.32! C(o=-5.3!,f=-10!) USER MOD Single : B 37 ASN : amide:sc= -2.82! C(o=-2.8!,f=-4.2!) USER MOD Single : B 44 THR OG1 : rot 70:sc= -0.286 USER MOD Single : B 45 TYR OH : rot -137:sc= -0.0202 USER MOD Single : B 50 LYS NZ :NH3+ -148:sc= -0.124 (180deg=-0.788) USER MOD Single : B 53 THR OG1 : rot 180:sc= -0.0506 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.162 5.300 -18.956 1.00 0.00 N ATOM 2 CA MET A 1 -5.391 5.661 -18.197 1.00 0.00 C ATOM 3 C MET A 1 -5.175 5.349 -16.724 1.00 0.00 C ATOM 4 O MET A 1 -4.054 5.119 -16.293 1.00 0.00 O ATOM 5 CB MET A 1 -6.593 4.871 -18.775 1.00 0.00 C ATOM 6 CG MET A 1 -6.790 3.500 -18.087 1.00 0.00 C ATOM 7 SD MET A 1 -5.198 2.674 -17.808 1.00 0.00 S ATOM 8 CE MET A 1 -4.858 2.253 -19.532 1.00 0.00 C ATOM 0 H1 MET A 1 -4.400 5.167 -19.960 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.461 6.063 -18.865 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.765 4.418 -18.575 1.00 0.00 H new ATOM 0 HA MET A 1 -5.605 6.726 -18.292 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.501 5.464 -18.662 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.443 4.719 -19.844 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.303 3.638 -17.135 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.428 2.868 -18.705 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.252 1.348 -19.573 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.798 2.085 -20.058 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.318 3.072 -20.007 1.00 0.00 H new ATOM 20 N GLN A 2 -6.241 5.334 -15.954 1.00 0.00 N ATOM 21 CA GLN A 2 -6.112 5.025 -14.545 1.00 0.00 C ATOM 22 C GLN A 2 -5.774 3.540 -14.425 1.00 0.00 C ATOM 23 O GLN A 2 -6.315 2.725 -15.156 1.00 0.00 O ATOM 24 CB GLN A 2 -7.426 5.376 -13.818 1.00 0.00 C ATOM 25 CG GLN A 2 -7.371 5.059 -12.306 1.00 0.00 C ATOM 26 CD GLN A 2 -5.996 5.334 -11.705 1.00 0.00 C ATOM 27 OE1 GLN A 2 -5.202 4.404 -11.639 1.00 0.00 O ATOM 28 NE2 GLN A 2 -5.681 6.515 -11.227 1.00 0.00 N ATOM 0 H GLN A 2 -7.191 5.528 -16.271 1.00 0.00 H new ATOM 0 HA GLN A 2 -5.319 5.610 -14.079 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -7.641 6.436 -13.956 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -8.248 4.822 -14.272 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -8.119 5.657 -11.785 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -7.632 4.013 -12.147 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -6.349 7.284 -11.286 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -4.769 6.664 -10.796 1.00 0.00 H new ATOM 37 N TYR A 3 -4.879 3.193 -13.512 1.00 0.00 N ATOM 38 CA TYR A 3 -4.478 1.803 -13.300 1.00 0.00 C ATOM 39 C TYR A 3 -4.874 1.388 -11.887 1.00 0.00 C ATOM 40 O TYR A 3 -5.165 2.246 -11.067 1.00 0.00 O ATOM 41 CB TYR A 3 -2.982 1.692 -13.524 1.00 0.00 C ATOM 42 CG TYR A 3 -2.721 1.997 -14.974 1.00 0.00 C ATOM 43 CD1 TYR A 3 -2.792 0.971 -15.933 1.00 0.00 C ATOM 44 CD2 TYR A 3 -2.363 3.299 -15.372 1.00 0.00 C ATOM 45 CE1 TYR A 3 -2.554 1.258 -17.292 1.00 0.00 C ATOM 46 CE2 TYR A 3 -2.109 3.579 -16.727 1.00 0.00 C ATOM 47 CZ TYR A 3 -2.230 2.565 -17.686 1.00 0.00 C ATOM 48 OH TYR A 3 -1.991 2.841 -19.015 1.00 0.00 O ATOM 0 H TYR A 3 -4.410 3.860 -12.899 1.00 0.00 H new ATOM 0 HA TYR A 3 -4.978 1.134 -14.000 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -2.445 2.390 -12.882 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -2.629 0.692 -13.273 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -3.029 -0.038 -15.628 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -2.283 4.085 -14.635 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -2.621 0.472 -18.030 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -1.821 4.575 -17.028 1.00 0.00 H new ATOM 0 HH TYR A 3 -1.781 3.793 -19.119 1.00 0.00 H new ATOM 58 N LYS A 4 -4.926 0.090 -11.576 1.00 0.00 N ATOM 59 CA LYS A 4 -5.337 -0.327 -10.228 1.00 0.00 C ATOM 60 C LYS A 4 -4.453 -1.451 -9.699 1.00 0.00 C ATOM 61 O LYS A 4 -4.111 -2.381 -10.425 1.00 0.00 O ATOM 62 CB LYS A 4 -6.800 -0.771 -10.269 1.00 0.00 C ATOM 63 CG LYS A 4 -7.289 -1.101 -8.864 1.00 0.00 C ATOM 64 CD LYS A 4 -8.771 -1.464 -8.943 1.00 0.00 C ATOM 65 CE LYS A 4 -9.318 -1.780 -7.552 1.00 0.00 C ATOM 66 NZ LYS A 4 -10.761 -2.140 -7.669 1.00 0.00 N ATOM 0 H LYS A 4 -4.697 -0.671 -12.215 1.00 0.00 H new ATOM 0 HA LYS A 4 -5.227 0.519 -9.549 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.415 0.019 -10.700 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.905 -1.644 -10.913 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -6.717 -1.930 -8.448 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -7.142 -0.248 -8.201 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.331 -0.638 -9.382 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.907 -2.325 -9.598 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -8.760 -2.603 -7.106 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -9.197 -0.919 -6.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.142 -2.357 -6.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.286 -1.341 -8.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.862 -2.973 -8.283 1.00 0.00 H new ATOM 80 N LEU A 5 -4.092 -1.336 -8.420 1.00 0.00 N ATOM 81 CA LEU A 5 -3.237 -2.314 -7.738 1.00 0.00 C ATOM 82 C LEU A 5 -4.057 -3.181 -6.815 1.00 0.00 C ATOM 83 O LEU A 5 -4.662 -2.687 -5.875 1.00 0.00 O ATOM 84 CB LEU A 5 -2.174 -1.556 -6.912 1.00 0.00 C ATOM 85 CG LEU A 5 -0.987 -2.447 -6.448 1.00 0.00 C ATOM 86 CD1 LEU A 5 -1.480 -3.647 -5.628 1.00 0.00 C ATOM 87 CD2 LEU A 5 -0.127 -2.928 -7.651 1.00 0.00 C ATOM 0 H LEU A 5 -4.384 -0.561 -7.825 1.00 0.00 H new ATOM 0 HA LEU A 5 -2.758 -2.950 -8.482 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.785 -0.730 -7.508 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.652 -1.119 -6.036 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.355 -1.831 -5.809 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.627 -4.251 -5.318 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -2.012 -3.291 -4.746 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.151 -4.253 -6.237 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.693 -3.548 -7.288 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.748 -3.510 -8.332 1.00 0.00 H new ATOM 0 HD23 LEU A 5 0.278 -2.064 -8.178 1.00 0.00 H new ATOM 99 N ILE A 6 -4.017 -4.489 -7.050 1.00 0.00 N ATOM 100 CA ILE A 6 -4.699 -5.439 -6.180 1.00 0.00 C ATOM 101 C ILE A 6 -3.629 -6.142 -5.395 1.00 0.00 C ATOM 102 O ILE A 6 -2.633 -6.585 -5.971 1.00 0.00 O ATOM 103 CB ILE A 6 -5.503 -6.437 -6.982 1.00 0.00 C ATOM 104 CG1 ILE A 6 -6.515 -5.656 -7.808 1.00 0.00 C ATOM 105 CG2 ILE A 6 -6.213 -7.391 -6.019 1.00 0.00 C ATOM 106 CD1 ILE A 6 -7.287 -6.599 -8.720 1.00 0.00 C ATOM 0 H ILE A 6 -3.521 -4.914 -7.834 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.401 -4.923 -5.525 1.00 0.00 H new ATOM 0 HB ILE A 6 -4.865 -7.025 -7.642 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -7.205 -5.130 -7.149 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.004 -4.900 -8.403 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.796 -8.115 -6.588 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.473 -7.916 -5.415 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.877 -6.823 -5.367 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -8.008 -6.029 -9.306 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -6.593 -7.105 -9.391 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -7.813 -7.339 -8.117 1.00 0.00 H new ATOM 118 N LEU A 7 -3.778 -6.203 -4.080 1.00 0.00 N ATOM 119 CA LEU A 7 -2.759 -6.795 -3.231 1.00 0.00 C ATOM 120 C LEU A 7 -3.190 -8.135 -2.662 1.00 0.00 C ATOM 121 O LEU A 7 -4.193 -8.243 -1.959 1.00 0.00 O ATOM 122 CB LEU A 7 -2.463 -5.811 -2.103 1.00 0.00 C ATOM 123 CG LEU A 7 -1.263 -6.267 -1.274 1.00 0.00 C ATOM 124 CD1 LEU A 7 0.012 -6.316 -2.141 1.00 0.00 C ATOM 125 CD2 LEU A 7 -1.073 -5.272 -0.129 1.00 0.00 C ATOM 0 H LEU A 7 -4.594 -5.850 -3.580 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.867 -6.986 -3.828 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -2.266 -4.824 -2.520 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.338 -5.717 -1.460 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.444 -7.269 -0.886 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.854 -6.643 -1.531 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.134 -7.016 -2.964 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.218 -5.323 -2.542 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.221 -5.575 0.479 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.892 -4.278 -0.537 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.971 -5.252 0.489 1.00 0.00 H new ATOM 137 N ASN A 8 -2.345 -9.126 -2.904 1.00 0.00 N ATOM 138 CA ASN A 8 -2.555 -10.456 -2.336 1.00 0.00 C ATOM 139 C ASN A 8 -1.319 -10.895 -1.571 1.00 0.00 C ATOM 140 O ASN A 8 -0.206 -10.895 -2.099 1.00 0.00 O ATOM 141 CB ASN A 8 -2.928 -11.478 -3.400 1.00 0.00 C ATOM 142 CG ASN A 8 -3.780 -10.828 -4.464 1.00 0.00 C ATOM 143 OD1 ASN A 8 -4.959 -10.576 -4.239 1.00 0.00 O ATOM 144 ND2 ASN A 8 -3.233 -10.568 -5.628 1.00 0.00 N ATOM 0 H ASN A 8 -1.512 -9.039 -3.486 1.00 0.00 H new ATOM 0 HA ASN A 8 -3.397 -10.396 -1.646 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -2.026 -11.894 -3.849 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -3.469 -12.308 -2.945 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -3.791 -10.147 -6.371 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -2.250 -10.787 -5.790 1.00 0.00 H new ATOM 151 N GLY A 9 -1.534 -11.270 -0.327 1.00 0.00 N ATOM 152 CA GLY A 9 -0.438 -11.719 0.521 1.00 0.00 C ATOM 153 C GLY A 9 -0.920 -12.164 1.894 1.00 0.00 C ATOM 154 O GLY A 9 -2.119 -12.236 2.150 1.00 0.00 O ATOM 0 H GLY A 9 -2.450 -11.275 0.122 1.00 0.00 H new ATOM 0 HA2 GLY A 9 0.081 -12.545 0.035 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.285 -10.911 0.636 1.00 0.00 H new ATOM 158 N LYS A 10 0.035 -12.483 2.769 1.00 0.00 N ATOM 159 CA LYS A 10 -0.279 -12.945 4.121 1.00 0.00 C ATOM 160 C LYS A 10 -0.083 -11.823 5.142 1.00 0.00 C ATOM 161 O LYS A 10 -0.957 -11.564 5.965 1.00 0.00 O ATOM 162 CB LYS A 10 0.637 -14.123 4.470 1.00 0.00 C ATOM 163 CG LYS A 10 0.612 -15.173 3.345 1.00 0.00 C ATOM 164 CD LYS A 10 -0.793 -15.773 3.204 1.00 0.00 C ATOM 165 CE LYS A 10 -0.746 -16.985 2.269 1.00 0.00 C ATOM 166 NZ LYS A 10 -0.427 -16.532 0.886 1.00 0.00 N ATOM 0 H LYS A 10 1.033 -12.430 2.565 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.323 -13.257 4.153 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.656 -13.767 4.622 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.315 -14.577 5.407 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.914 -14.714 2.404 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.332 -15.963 3.560 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.171 -16.071 4.182 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.481 -15.024 2.810 1.00 0.00 H new ATOM 0 HE2 LYS A 10 0.006 -17.695 2.613 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.704 -17.505 2.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.528 -17.330 0.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.080 -15.771 0.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 0.550 -16.178 0.854 1.00 0.00 H new ATOM 180 N THR A 11 1.074 -11.170 5.086 1.00 0.00 N ATOM 181 CA THR A 11 1.386 -10.083 6.013 1.00 0.00 C ATOM 182 C THR A 11 0.725 -8.767 5.588 1.00 0.00 C ATOM 183 O THR A 11 0.636 -7.831 6.382 1.00 0.00 O ATOM 184 CB THR A 11 2.904 -9.884 6.081 1.00 0.00 C ATOM 185 OG1 THR A 11 3.515 -11.068 6.578 1.00 0.00 O ATOM 186 CG2 THR A 11 3.234 -8.710 7.006 1.00 0.00 C ATOM 0 H THR A 11 1.811 -11.373 4.410 1.00 0.00 H new ATOM 0 HA THR A 11 0.995 -10.360 6.992 1.00 0.00 H new ATOM 0 HB THR A 11 3.283 -9.669 5.082 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.486 -10.942 6.620 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.315 -8.574 7.050 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.769 -7.802 6.622 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.853 -8.917 8.006 1.00 0.00 H new ATOM 194 N LEU A 12 0.275 -8.688 4.333 1.00 0.00 N ATOM 195 CA LEU A 12 -0.355 -7.457 3.840 1.00 0.00 C ATOM 196 C LEU A 12 -1.437 -7.749 2.800 1.00 0.00 C ATOM 197 O LEU A 12 -1.311 -8.663 1.986 1.00 0.00 O ATOM 198 CB LEU A 12 0.707 -6.534 3.217 1.00 0.00 C ATOM 199 CG LEU A 12 0.184 -5.079 3.165 1.00 0.00 C ATOM 200 CD1 LEU A 12 0.136 -4.481 4.592 1.00 0.00 C ATOM 201 CD2 LEU A 12 1.095 -4.209 2.257 1.00 0.00 C ATOM 0 H LEU A 12 0.332 -9.444 3.651 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.824 -6.968 4.694 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.626 -6.577 3.802 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.953 -6.876 2.212 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.823 -5.086 2.747 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.233 -3.457 4.545 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.530 -5.079 5.215 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.137 -4.486 5.023 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.714 -3.188 2.231 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.110 -4.207 2.655 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.102 -4.620 1.247 1.00 0.00 H new ATOM 213 N LYS A 13 -2.487 -6.930 2.827 1.00 0.00 N ATOM 214 CA LYS A 13 -3.596 -7.036 1.884 1.00 0.00 C ATOM 215 C LYS A 13 -4.161 -5.641 1.626 1.00 0.00 C ATOM 216 O LYS A 13 -4.067 -4.768 2.488 1.00 0.00 O ATOM 217 CB LYS A 13 -4.685 -7.960 2.428 1.00 0.00 C ATOM 218 CG LYS A 13 -4.201 -9.412 2.392 1.00 0.00 C ATOM 219 CD LYS A 13 -5.297 -10.320 2.965 1.00 0.00 C ATOM 220 CE LYS A 13 -4.850 -11.782 2.905 1.00 0.00 C ATOM 221 NZ LYS A 13 -4.530 -12.163 1.494 1.00 0.00 N ATOM 0 H LYS A 13 -2.592 -6.174 3.504 1.00 0.00 H new ATOM 0 HA LYS A 13 -3.234 -7.464 0.949 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.938 -7.677 3.450 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.593 -7.855 1.834 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.967 -9.705 1.369 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.284 -9.517 2.972 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.511 -10.039 3.996 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.220 -10.190 2.401 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.974 -11.929 3.537 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.637 -12.428 3.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.021 -13.047 1.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.842 -11.407 0.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.504 -12.299 1.395 1.00 0.00 H new ATOM 235 N GLY A 14 -4.733 -5.417 0.445 1.00 0.00 N ATOM 236 CA GLY A 14 -5.281 -4.093 0.140 1.00 0.00 C ATOM 237 C GLY A 14 -5.428 -3.852 -1.357 1.00 0.00 C ATOM 238 O GLY A 14 -5.312 -4.769 -2.169 1.00 0.00 O ATOM 0 H GLY A 14 -4.829 -6.110 -0.297 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -6.254 -3.987 0.619 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.632 -3.328 0.566 1.00 0.00 H new ATOM 242 N GLU A 15 -5.697 -2.592 -1.707 1.00 0.00 N ATOM 243 CA GLU A 15 -5.872 -2.193 -3.102 1.00 0.00 C ATOM 244 C GLU A 15 -5.451 -0.725 -3.276 1.00 0.00 C ATOM 245 O GLU A 15 -5.958 0.140 -2.564 1.00 0.00 O ATOM 246 CB GLU A 15 -7.350 -2.315 -3.511 1.00 0.00 C ATOM 247 CG GLU A 15 -7.809 -3.776 -3.550 1.00 0.00 C ATOM 248 CD GLU A 15 -9.309 -3.813 -3.819 1.00 0.00 C ATOM 249 OE1 GLU A 15 -9.725 -3.566 -4.973 1.00 0.00 O ATOM 250 OE2 GLU A 15 -10.068 -3.966 -2.837 1.00 0.00 O ATOM 0 H GLU A 15 -5.798 -1.828 -1.038 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.259 -2.845 -3.724 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.969 -1.758 -2.808 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.495 -1.862 -4.492 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.273 -4.319 -4.328 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.583 -4.268 -2.604 1.00 0.00 H new ATOM 257 N THR A 16 -4.565 -0.428 -4.241 1.00 0.00 N ATOM 258 CA THR A 16 -4.149 0.971 -4.490 1.00 0.00 C ATOM 259 C THR A 16 -4.572 1.357 -5.902 1.00 0.00 C ATOM 260 O THR A 16 -4.946 0.493 -6.694 1.00 0.00 O ATOM 261 CB THR A 16 -2.620 1.170 -4.338 1.00 0.00 C ATOM 262 OG1 THR A 16 -1.975 0.952 -5.583 1.00 0.00 O ATOM 263 CG2 THR A 16 -2.042 0.207 -3.293 1.00 0.00 C ATOM 0 H THR A 16 -4.128 -1.118 -4.852 1.00 0.00 H new ATOM 0 HA THR A 16 -4.631 1.605 -3.746 1.00 0.00 H new ATOM 0 HB THR A 16 -2.445 2.194 -4.007 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.009 1.081 -5.478 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.967 0.367 -3.206 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.516 0.390 -2.328 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.232 -0.821 -3.601 1.00 0.00 H new ATOM 271 N THR A 17 -4.529 2.647 -6.230 1.00 0.00 N ATOM 272 CA THR A 17 -4.923 3.094 -7.565 1.00 0.00 C ATOM 273 C THR A 17 -4.095 4.306 -7.977 1.00 0.00 C ATOM 274 O THR A 17 -3.872 5.211 -7.176 1.00 0.00 O ATOM 275 CB THR A 17 -6.421 3.452 -7.578 1.00 0.00 C ATOM 276 OG1 THR A 17 -7.129 2.553 -6.736 1.00 0.00 O ATOM 277 CG2 THR A 17 -6.970 3.344 -9.002 1.00 0.00 C ATOM 0 H THR A 17 -4.230 3.392 -5.600 1.00 0.00 H new ATOM 0 HA THR A 17 -4.744 2.287 -8.275 1.00 0.00 H new ATOM 0 HB THR A 17 -6.547 4.473 -7.218 1.00 0.00 H new ATOM 0 HG1 THR A 17 -8.082 2.781 -6.742 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.030 3.599 -9.004 1.00 0.00 H new ATOM 0 HG22 THR A 17 -6.431 4.032 -9.653 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.841 2.324 -9.365 1.00 0.00 H new ATOM 285 N THR A 18 -3.646 4.339 -9.229 1.00 0.00 N ATOM 286 CA THR A 18 -2.858 5.476 -9.697 1.00 0.00 C ATOM 287 C THR A 18 -2.967 5.646 -11.204 1.00 0.00 C ATOM 288 O THR A 18 -2.887 4.677 -11.963 1.00 0.00 O ATOM 289 CB THR A 18 -1.373 5.294 -9.299 1.00 0.00 C ATOM 290 OG1 THR A 18 -0.749 6.568 -9.234 1.00 0.00 O ATOM 291 CG2 THR A 18 -0.615 4.430 -10.327 1.00 0.00 C ATOM 0 H THR A 18 -3.809 3.610 -9.924 1.00 0.00 H new ATOM 0 HA THR A 18 -3.256 6.374 -9.224 1.00 0.00 H new ATOM 0 HB THR A 18 -1.342 4.793 -8.331 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.191 6.459 -8.981 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.424 4.323 -10.016 1.00 0.00 H new ATOM 0 HG22 THR A 18 -1.079 3.446 -10.388 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.654 4.910 -11.305 1.00 0.00 H new ATOM 299 N GLU A 19 -3.077 6.888 -11.648 1.00 0.00 N ATOM 300 CA GLU A 19 -3.099 7.195 -13.058 1.00 0.00 C ATOM 301 C GLU A 19 -1.760 7.823 -13.304 1.00 0.00 C ATOM 302 O GLU A 19 -1.377 8.761 -12.606 1.00 0.00 O ATOM 303 CB GLU A 19 -4.223 8.184 -13.385 1.00 0.00 C ATOM 304 CG GLU A 19 -4.216 8.537 -14.870 1.00 0.00 C ATOM 305 CD GLU A 19 -5.304 9.566 -15.139 1.00 0.00 C ATOM 306 OE1 GLU A 19 -5.458 10.499 -14.317 1.00 0.00 O ATOM 307 OE2 GLU A 19 -6.070 9.360 -16.109 1.00 0.00 O ATOM 0 H GLU A 19 -3.153 7.703 -11.040 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.280 6.316 -13.677 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.186 7.751 -13.114 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.102 9.089 -12.790 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.243 8.934 -15.158 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.386 7.643 -15.470 1.00 0.00 H new ATOM 314 N ALA A 20 -1.012 7.267 -14.220 1.00 0.00 N ATOM 315 CA ALA A 20 0.342 7.735 -14.466 1.00 0.00 C ATOM 316 C ALA A 20 0.407 8.480 -15.774 1.00 0.00 C ATOM 317 O ALA A 20 -0.608 8.634 -16.455 1.00 0.00 O ATOM 318 CB ALA A 20 1.288 6.536 -14.458 1.00 0.00 C ATOM 0 H ALA A 20 -1.309 6.491 -14.811 1.00 0.00 H new ATOM 0 HA ALA A 20 0.646 8.428 -13.681 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.307 6.876 -14.642 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.240 6.041 -13.488 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.993 5.835 -15.238 1.00 0.00 H new ATOM 324 N VAL A 21 1.594 8.929 -16.142 1.00 0.00 N ATOM 325 CA VAL A 21 1.718 9.636 -17.392 1.00 0.00 C ATOM 326 C VAL A 21 1.297 8.692 -18.493 1.00 0.00 C ATOM 327 O VAL A 21 0.615 9.098 -19.435 1.00 0.00 O ATOM 328 CB VAL A 21 3.138 10.160 -17.616 1.00 0.00 C ATOM 329 CG1 VAL A 21 4.128 9.013 -17.531 1.00 0.00 C ATOM 330 CG2 VAL A 21 3.229 10.804 -18.999 1.00 0.00 C ATOM 0 H VAL A 21 2.457 8.819 -15.609 1.00 0.00 H new ATOM 0 HA VAL A 21 1.076 10.517 -17.383 1.00 0.00 H new ATOM 0 HB VAL A 21 3.374 10.898 -16.850 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.138 9.391 -17.691 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.066 8.551 -16.546 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.893 8.272 -18.295 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.240 11.178 -19.160 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.990 10.063 -19.762 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.522 11.631 -19.062 1.00 0.00 H new ATOM 340 N ASP A 22 1.663 7.409 -18.378 1.00 0.00 N ATOM 341 CA ASP A 22 1.274 6.429 -19.360 1.00 0.00 C ATOM 342 C ASP A 22 1.497 5.020 -18.764 1.00 0.00 C ATOM 343 O ASP A 22 2.068 4.846 -17.687 1.00 0.00 O ATOM 344 CB ASP A 22 2.082 6.614 -20.670 1.00 0.00 C ATOM 345 CG ASP A 22 2.327 5.270 -21.361 1.00 0.00 C ATOM 346 OD1 ASP A 22 3.289 4.563 -20.974 1.00 0.00 O ATOM 347 OD2 ASP A 22 1.488 4.867 -22.196 1.00 0.00 O ATOM 0 H ASP A 22 2.226 7.041 -17.611 1.00 0.00 H new ATOM 0 HA ASP A 22 0.221 6.555 -19.610 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.542 7.279 -21.343 1.00 0.00 H new ATOM 0 HB3 ASP A 22 3.036 7.092 -20.448 1.00 0.00 H new ATOM 352 N ALA A 23 0.959 4.063 -19.473 1.00 0.00 N ATOM 353 CA ALA A 23 1.004 2.671 -19.038 1.00 0.00 C ATOM 354 C ALA A 23 2.408 2.288 -18.554 1.00 0.00 C ATOM 355 O ALA A 23 2.557 1.694 -17.501 1.00 0.00 O ATOM 356 CB ALA A 23 0.605 1.737 -20.180 1.00 0.00 C ATOM 0 H ALA A 23 0.479 4.212 -20.361 1.00 0.00 H new ATOM 0 HA ALA A 23 0.299 2.566 -18.213 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.645 0.704 -19.836 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.408 1.972 -20.505 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.294 1.868 -21.015 1.00 0.00 H new ATOM 362 N ALA A 24 3.432 2.669 -19.290 1.00 0.00 N ATOM 363 CA ALA A 24 4.807 2.360 -18.911 1.00 0.00 C ATOM 364 C ALA A 24 5.140 2.880 -17.520 1.00 0.00 C ATOM 365 O ALA A 24 5.895 2.261 -16.773 1.00 0.00 O ATOM 366 CB ALA A 24 5.763 2.993 -19.922 1.00 0.00 C ATOM 0 H ALA A 24 3.343 3.196 -20.159 1.00 0.00 H new ATOM 0 HA ALA A 24 4.917 1.276 -18.903 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.792 2.765 -19.643 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.559 2.593 -20.915 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.621 4.074 -19.930 1.00 0.00 H new ATOM 372 N THR A 25 4.569 4.021 -17.182 1.00 0.00 N ATOM 373 CA THR A 25 4.810 4.618 -15.875 1.00 0.00 C ATOM 374 C THR A 25 3.996 3.920 -14.789 1.00 0.00 C ATOM 375 O THR A 25 4.553 3.466 -13.789 1.00 0.00 O ATOM 376 CB THR A 25 4.508 6.110 -15.921 1.00 0.00 C ATOM 377 OG1 THR A 25 5.218 6.675 -17.013 1.00 0.00 O ATOM 378 CG2 THR A 25 4.948 6.773 -14.603 1.00 0.00 C ATOM 0 H THR A 25 3.940 4.551 -17.785 1.00 0.00 H new ATOM 0 HA THR A 25 5.862 4.486 -15.622 1.00 0.00 H new ATOM 0 HB THR A 25 3.438 6.274 -16.048 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.920 7.269 -16.674 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.729 7.840 -14.642 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.408 6.322 -13.771 1.00 0.00 H new ATOM 0 HG23 THR A 25 6.019 6.627 -14.462 1.00 0.00 H new ATOM 386 N ALA A 26 2.683 3.840 -14.969 1.00 0.00 N ATOM 387 CA ALA A 26 1.846 3.194 -13.964 1.00 0.00 C ATOM 388 C ALA A 26 2.395 1.813 -13.669 1.00 0.00 C ATOM 389 O ALA A 26 2.333 1.333 -12.544 1.00 0.00 O ATOM 390 CB ALA A 26 0.407 3.072 -14.464 1.00 0.00 C ATOM 0 H ALA A 26 2.184 4.204 -15.780 1.00 0.00 H new ATOM 0 HA ALA A 26 1.852 3.799 -13.058 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.203 2.588 -13.702 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.008 4.065 -14.671 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.388 2.476 -15.376 1.00 0.00 H new ATOM 396 N GLU A 27 3.006 1.225 -14.679 1.00 0.00 N ATOM 397 CA GLU A 27 3.638 -0.061 -14.492 1.00 0.00 C ATOM 398 C GLU A 27 4.860 0.141 -13.618 1.00 0.00 C ATOM 399 O GLU A 27 5.110 -0.607 -12.667 1.00 0.00 O ATOM 400 CB GLU A 27 4.133 -0.697 -15.814 1.00 0.00 C ATOM 401 CG GLU A 27 3.011 -0.968 -16.864 1.00 0.00 C ATOM 402 CD GLU A 27 1.610 -0.709 -16.319 1.00 0.00 C ATOM 403 OE1 GLU A 27 1.149 0.456 -16.354 1.00 0.00 O ATOM 404 OE2 GLU A 27 0.986 -1.678 -15.834 1.00 0.00 O ATOM 0 H GLU A 27 3.077 1.611 -15.621 1.00 0.00 H new ATOM 0 HA GLU A 27 2.893 -0.724 -14.052 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.880 -0.040 -16.261 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.633 -1.638 -15.584 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.178 -0.337 -17.737 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.078 -2.002 -17.201 1.00 0.00 H new ATOM 411 N LYS A 28 5.622 1.175 -13.965 1.00 0.00 N ATOM 412 CA LYS A 28 6.860 1.503 -13.252 1.00 0.00 C ATOM 413 C LYS A 28 6.665 1.880 -11.784 1.00 0.00 C ATOM 414 O LYS A 28 7.392 1.378 -10.929 1.00 0.00 O ATOM 415 CB LYS A 28 7.551 2.670 -13.957 1.00 0.00 C ATOM 416 CG LYS A 28 9.039 2.721 -13.567 1.00 0.00 C ATOM 417 CD LYS A 28 9.578 4.142 -13.764 1.00 0.00 C ATOM 418 CE LYS A 28 9.240 4.630 -15.174 1.00 0.00 C ATOM 419 NZ LYS A 28 10.018 5.863 -15.468 1.00 0.00 N ATOM 0 H LYS A 28 5.405 1.804 -14.738 1.00 0.00 H new ATOM 0 HA LYS A 28 7.461 0.594 -13.267 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.454 2.561 -15.037 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.064 3.607 -13.687 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.163 2.416 -12.528 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.608 2.018 -14.176 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.143 4.812 -13.023 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.657 4.156 -13.613 1.00 0.00 H new ATOM 0 HE2 LYS A 28 9.474 3.856 -15.905 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.172 4.832 -15.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.790 6.197 -16.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.774 6.601 -14.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 11.035 5.655 -15.407 1.00 0.00 H new ATOM 433 N VAL A 29 5.739 2.788 -11.469 1.00 0.00 N ATOM 434 CA VAL A 29 5.592 3.188 -10.073 1.00 0.00 C ATOM 435 C VAL A 29 5.360 1.946 -9.221 1.00 0.00 C ATOM 436 O VAL A 29 6.107 1.672 -8.285 1.00 0.00 O ATOM 437 CB VAL A 29 4.458 4.222 -9.932 1.00 0.00 C ATOM 438 CG1 VAL A 29 3.109 3.642 -10.361 1.00 0.00 C ATOM 439 CG2 VAL A 29 4.364 4.730 -8.485 1.00 0.00 C ATOM 0 H VAL A 29 5.107 3.241 -12.129 1.00 0.00 H new ATOM 0 HA VAL A 29 6.503 3.672 -9.719 1.00 0.00 H new ATOM 0 HB VAL A 29 4.698 5.055 -10.592 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.334 4.400 -10.248 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.162 3.331 -11.404 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.868 2.781 -9.737 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.557 5.459 -8.407 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.162 3.892 -7.818 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.306 5.200 -8.202 1.00 0.00 H new ATOM 449 N PHE A 30 4.306 1.226 -9.534 1.00 0.00 N ATOM 450 CA PHE A 30 3.970 0.042 -8.761 1.00 0.00 C ATOM 451 C PHE A 30 5.205 -0.862 -8.672 1.00 0.00 C ATOM 452 O PHE A 30 5.448 -1.508 -7.638 1.00 0.00 O ATOM 453 CB PHE A 30 2.833 -0.747 -9.437 1.00 0.00 C ATOM 454 CG PHE A 30 1.503 0.002 -9.435 1.00 0.00 C ATOM 455 CD1 PHE A 30 0.969 0.573 -8.263 1.00 0.00 C ATOM 456 CD2 PHE A 30 0.790 0.112 -10.647 1.00 0.00 C ATOM 457 CE1 PHE A 30 -0.264 1.247 -8.298 1.00 0.00 C ATOM 458 CE2 PHE A 30 -0.442 0.791 -10.682 1.00 0.00 C ATOM 459 CZ PHE A 30 -0.961 1.363 -9.512 1.00 0.00 C ATOM 0 H PHE A 30 3.672 1.432 -10.306 1.00 0.00 H new ATOM 0 HA PHE A 30 3.645 0.354 -7.768 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.116 -0.971 -10.466 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.707 -1.701 -8.926 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.510 0.492 -7.332 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.190 -0.326 -11.550 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.674 1.674 -7.395 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.988 0.872 -11.610 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.900 1.895 -9.544 1.00 0.00 H new ATOM 469 N LYS A 31 5.977 -0.901 -9.771 1.00 0.00 N ATOM 470 CA LYS A 31 7.193 -1.725 -9.845 1.00 0.00 C ATOM 471 C LYS A 31 8.203 -1.270 -8.808 1.00 0.00 C ATOM 472 O LYS A 31 9.133 -1.989 -8.465 1.00 0.00 O ATOM 473 CB LYS A 31 7.851 -1.580 -11.230 1.00 0.00 C ATOM 474 CG LYS A 31 8.711 -2.827 -11.553 1.00 0.00 C ATOM 475 CD LYS A 31 7.893 -3.797 -12.415 1.00 0.00 C ATOM 476 CE LYS A 31 8.509 -5.194 -12.363 1.00 0.00 C ATOM 477 NZ LYS A 31 9.991 -5.091 -12.449 1.00 0.00 N ATOM 0 H LYS A 31 5.780 -0.371 -10.620 1.00 0.00 H new ATOM 0 HA LYS A 31 6.904 -2.761 -9.665 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.083 -1.453 -11.993 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.474 -0.686 -11.252 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.618 -2.531 -12.080 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.023 -3.317 -10.631 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.863 -3.832 -12.059 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.863 -3.443 -13.445 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.222 -5.694 -11.438 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.128 -5.801 -13.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 10.384 -6.000 -12.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 10.248 -4.346 -13.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 10.378 -4.856 -11.513 1.00 0.00 H new ATOM 491 N GLN A 32 8.003 -0.052 -8.346 1.00 0.00 N ATOM 492 CA GLN A 32 8.900 0.537 -7.356 1.00 0.00 C ATOM 493 C GLN A 32 8.549 0.016 -5.960 1.00 0.00 C ATOM 494 O GLN A 32 9.429 -0.350 -5.183 1.00 0.00 O ATOM 495 CB GLN A 32 8.815 2.094 -7.404 1.00 0.00 C ATOM 496 CG GLN A 32 10.219 2.769 -7.241 1.00 0.00 C ATOM 497 CD GLN A 32 10.870 3.070 -8.603 1.00 0.00 C ATOM 498 OE1 GLN A 32 10.174 2.946 -9.713 1.00 0.00 O flip ATOM 499 NE2 GLN A 32 12.086 2.924 -8.625 1.00 0.00 N flip ATOM 0 H GLN A 32 7.233 0.551 -8.635 1.00 0.00 H new ATOM 0 HA GLN A 32 9.925 0.247 -7.588 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.373 2.403 -8.351 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.151 2.444 -6.613 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.114 3.695 -6.676 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.872 2.115 -6.663 1.00 0.00 H new ATOM 0 HE21 GLN A 32 12.627 3.020 -7.765 1.00 0.00 H new ATOM 0 HE22 GLN A 32 12.558 2.707 -9.503 1.00 0.00 H new ATOM 508 N TYR A 33 7.260 0.050 -5.623 1.00 0.00 N ATOM 509 CA TYR A 33 6.817 -0.344 -4.285 1.00 0.00 C ATOM 510 C TYR A 33 6.848 -1.855 -4.043 1.00 0.00 C ATOM 511 O TYR A 33 7.447 -2.324 -3.079 1.00 0.00 O ATOM 512 CB TYR A 33 5.347 0.111 -4.080 1.00 0.00 C ATOM 513 CG TYR A 33 5.224 1.630 -4.017 1.00 0.00 C ATOM 514 CD1 TYR A 33 5.661 2.446 -5.081 1.00 0.00 C ATOM 515 CD2 TYR A 33 4.682 2.242 -2.864 1.00 0.00 C ATOM 516 CE1 TYR A 33 5.576 3.847 -4.995 1.00 0.00 C ATOM 517 CE2 TYR A 33 4.588 3.648 -2.783 1.00 0.00 C ATOM 518 CZ TYR A 33 5.033 4.446 -3.849 1.00 0.00 C ATOM 519 OH TYR A 33 4.928 5.818 -3.776 1.00 0.00 O ATOM 0 H TYR A 33 6.511 0.343 -6.250 1.00 0.00 H new ATOM 0 HA TYR A 33 7.511 0.129 -3.590 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.732 -0.269 -4.896 1.00 0.00 H new ATOM 0 HB3 TYR A 33 4.958 -0.323 -3.159 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.066 1.990 -5.972 1.00 0.00 H new ATOM 0 HD2 TYR A 33 4.339 1.632 -2.042 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.928 4.461 -5.811 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.173 4.111 -1.900 1.00 0.00 H new ATOM 0 HH TYR A 33 4.530 6.070 -2.917 1.00 0.00 H new ATOM 529 N PHE A 34 6.112 -2.594 -4.866 1.00 0.00 N ATOM 530 CA PHE A 34 5.975 -4.040 -4.623 1.00 0.00 C ATOM 531 C PHE A 34 6.987 -4.940 -5.299 1.00 0.00 C ATOM 532 O PHE A 34 6.618 -5.992 -5.827 1.00 0.00 O ATOM 533 CB PHE A 34 4.572 -4.525 -4.925 1.00 0.00 C ATOM 534 CG PHE A 34 3.584 -3.672 -4.178 1.00 0.00 C ATOM 535 CD1 PHE A 34 3.332 -3.964 -2.822 1.00 0.00 C ATOM 536 CD2 PHE A 34 2.888 -2.620 -4.802 1.00 0.00 C ATOM 537 CE1 PHE A 34 2.412 -3.192 -2.091 1.00 0.00 C ATOM 538 CE2 PHE A 34 1.968 -1.850 -4.069 1.00 0.00 C ATOM 539 CZ PHE A 34 1.734 -2.132 -2.712 1.00 0.00 C ATOM 0 H PHE A 34 5.614 -2.239 -5.682 1.00 0.00 H new ATOM 0 HA PHE A 34 6.191 -4.128 -3.558 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.379 -4.473 -5.996 1.00 0.00 H new ATOM 0 HB3 PHE A 34 4.464 -5.569 -4.632 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.847 -4.783 -2.343 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.061 -2.404 -5.846 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.227 -3.415 -1.051 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.440 -1.040 -4.550 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.033 -1.534 -2.148 1.00 0.00 H new ATOM 549 N ASN A 35 8.266 -4.567 -5.248 1.00 0.00 N ATOM 550 CA ASN A 35 9.309 -5.391 -5.822 1.00 0.00 C ATOM 551 C ASN A 35 10.218 -5.941 -4.694 1.00 0.00 C ATOM 552 O ASN A 35 11.206 -6.614 -4.987 1.00 0.00 O ATOM 553 CB ASN A 35 10.057 -4.536 -6.882 1.00 0.00 C ATOM 554 CG ASN A 35 11.519 -4.321 -6.587 1.00 0.00 C ATOM 555 OD1 ASN A 35 11.797 -3.680 -5.581 1.00 0.00 O ATOM 556 ND2 ASN A 35 12.427 -4.546 -7.510 1.00 0.00 N ATOM 0 H ASN A 35 8.595 -3.704 -4.816 1.00 0.00 H new ATOM 0 HA ASN A 35 8.910 -6.269 -6.330 1.00 0.00 H new ATOM 0 HB2 ASN A 35 9.962 -5.019 -7.854 1.00 0.00 H new ATOM 0 HB3 ASN A 35 9.568 -3.565 -6.960 1.00 0.00 H new ATOM 0 HD21 ASN A 35 13.374 -4.186 -7.392 1.00 0.00 H new ATOM 0 HD22 ASN A 35 12.185 -5.081 -8.344 1.00 0.00 H new ATOM 563 N ASP A 36 9.885 -5.667 -3.395 1.00 0.00 N ATOM 564 CA ASP A 36 10.755 -6.187 -2.301 1.00 0.00 C ATOM 565 C ASP A 36 10.236 -6.108 -0.850 1.00 0.00 C ATOM 566 O ASP A 36 10.661 -6.894 -0.084 1.00 0.00 O ATOM 567 CB ASP A 36 12.034 -5.399 -2.361 1.00 0.00 C ATOM 568 CG ASP A 36 12.900 -5.422 -1.076 1.00 0.00 C ATOM 569 OD1 ASP A 36 12.469 -4.441 -0.423 1.00 0.00 O ATOM 570 OD2 ASP A 36 14.128 -5.600 -1.269 1.00 0.00 O ATOM 0 H ASP A 36 9.074 -5.125 -3.096 1.00 0.00 H new ATOM 0 HA ASP A 36 10.835 -7.257 -2.494 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.634 -5.778 -3.188 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.790 -4.363 -2.594 1.00 0.00 H new ATOM 575 N ASN A 37 9.274 -5.297 -0.540 1.00 0.00 N ATOM 576 CA ASN A 37 8.662 -5.263 0.827 1.00 0.00 C ATOM 577 C ASN A 37 8.276 -6.711 1.265 1.00 0.00 C ATOM 578 O ASN A 37 7.150 -6.998 1.672 1.00 0.00 O ATOM 579 CB ASN A 37 7.437 -4.345 0.791 1.00 0.00 C ATOM 580 CG ASN A 37 6.920 -4.356 -0.612 1.00 0.00 C ATOM 581 OD1 ASN A 37 6.614 -5.483 -0.978 1.00 0.00 O ATOM 582 ND2 ASN A 37 6.371 -3.331 -1.220 1.00 0.00 N ATOM 0 H ASN A 37 8.866 -4.629 -1.195 1.00 0.00 H new ATOM 0 HA ASN A 37 9.372 -4.873 1.556 1.00 0.00 H new ATOM 0 HB2 ASN A 37 6.673 -4.695 1.486 1.00 0.00 H new ATOM 0 HB3 ASN A 37 7.705 -3.333 1.095 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.706 -3.484 -1.978 1.00 0.00 H new ATOM 0 HD22 ASN A 37 6.609 -2.381 -0.934 1.00 0.00 H new ATOM 589 N GLY A 38 9.268 -7.579 1.170 1.00 0.00 N ATOM 590 CA GLY A 38 9.172 -8.999 1.515 1.00 0.00 C ATOM 591 C GLY A 38 8.137 -9.712 0.660 1.00 0.00 C ATOM 592 O GLY A 38 8.248 -10.909 0.400 1.00 0.00 O ATOM 0 H GLY A 38 10.196 -7.313 0.840 1.00 0.00 H new ATOM 0 HA2 GLY A 38 10.144 -9.473 1.382 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.909 -9.102 2.568 1.00 0.00 H new ATOM 596 N VAL A 39 7.127 -8.979 0.234 1.00 0.00 N ATOM 597 CA VAL A 39 6.076 -9.557 -0.571 1.00 0.00 C ATOM 598 C VAL A 39 6.622 -10.070 -1.894 1.00 0.00 C ATOM 599 O VAL A 39 6.344 -11.210 -2.264 1.00 0.00 O ATOM 600 CB VAL A 39 5.005 -8.483 -0.822 1.00 0.00 C ATOM 601 CG1 VAL A 39 4.050 -8.906 -1.960 1.00 0.00 C ATOM 602 CG2 VAL A 39 4.211 -8.260 0.475 1.00 0.00 C ATOM 0 H VAL A 39 7.014 -7.985 0.433 1.00 0.00 H new ATOM 0 HA VAL A 39 5.642 -10.405 -0.041 1.00 0.00 H new ATOM 0 HB VAL A 39 5.495 -7.558 -1.124 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.303 -8.128 -2.116 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.620 -9.051 -2.878 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.553 -9.838 -1.690 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.448 -7.500 0.308 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.734 -9.193 0.775 1.00 0.00 H new ATOM 0 HG23 VAL A 39 4.887 -7.929 1.263 1.00 0.00 H new ATOM 612 N ASP A 40 7.395 -9.218 -2.590 1.00 0.00 N ATOM 613 CA ASP A 40 7.987 -9.563 -3.895 1.00 0.00 C ATOM 614 C ASP A 40 7.152 -10.638 -4.590 1.00 0.00 C ATOM 615 O ASP A 40 7.669 -11.589 -5.178 1.00 0.00 O ATOM 616 CB ASP A 40 9.440 -10.010 -3.720 1.00 0.00 C ATOM 617 CG ASP A 40 9.554 -11.443 -3.198 1.00 0.00 C ATOM 618 OD1 ASP A 40 8.523 -12.121 -2.964 1.00 0.00 O ATOM 619 OD2 ASP A 40 10.707 -11.923 -3.062 1.00 0.00 O ATOM 0 H ASP A 40 7.626 -8.278 -2.267 1.00 0.00 H new ATOM 0 HA ASP A 40 7.985 -8.677 -4.529 1.00 0.00 H new ATOM 0 HB2 ASP A 40 9.958 -9.933 -4.676 1.00 0.00 H new ATOM 0 HB3 ASP A 40 9.944 -9.334 -3.029 1.00 0.00 H new ATOM 624 N GLY A 41 5.841 -10.484 -4.436 1.00 0.00 N ATOM 625 CA GLY A 41 4.868 -11.432 -4.955 1.00 0.00 C ATOM 626 C GLY A 41 4.907 -11.607 -6.467 1.00 0.00 C ATOM 627 O GLY A 41 5.782 -11.086 -7.157 1.00 0.00 O ATOM 0 H GLY A 41 5.424 -9.693 -3.945 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.036 -12.401 -4.485 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.869 -11.105 -4.665 1.00 0.00 H new ATOM 631 N GLU A 42 3.931 -12.366 -6.968 1.00 0.00 N ATOM 632 CA GLU A 42 3.826 -12.636 -8.391 1.00 0.00 C ATOM 633 C GLU A 42 3.212 -11.431 -9.076 1.00 0.00 C ATOM 634 O GLU A 42 2.209 -10.885 -8.617 1.00 0.00 O ATOM 635 CB GLU A 42 2.960 -13.894 -8.627 1.00 0.00 C ATOM 636 CG GLU A 42 3.585 -14.769 -9.722 1.00 0.00 C ATOM 637 CD GLU A 42 4.770 -15.538 -9.143 1.00 0.00 C ATOM 638 OE1 GLU A 42 5.219 -15.192 -8.028 1.00 0.00 O ATOM 639 OE2 GLU A 42 5.237 -16.495 -9.802 1.00 0.00 O ATOM 0 H GLU A 42 3.203 -12.803 -6.402 1.00 0.00 H new ATOM 0 HA GLU A 42 4.816 -12.821 -8.807 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.873 -14.463 -7.702 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.951 -13.601 -8.917 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.843 -15.464 -10.115 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.913 -14.148 -10.556 1.00 0.00 H new ATOM 646 N TRP A 43 3.826 -11.002 -10.170 1.00 0.00 N ATOM 647 CA TRP A 43 3.340 -9.836 -10.895 1.00 0.00 C ATOM 648 C TRP A 43 2.405 -10.158 -12.024 1.00 0.00 C ATOM 649 O TRP A 43 2.593 -11.105 -12.785 1.00 0.00 O ATOM 650 CB TRP A 43 4.531 -8.996 -11.398 1.00 0.00 C ATOM 651 CG TRP A 43 4.744 -7.956 -10.419 1.00 0.00 C ATOM 652 CD1 TRP A 43 5.030 -8.168 -9.115 1.00 0.00 C ATOM 653 CD2 TRP A 43 4.658 -6.504 -10.572 1.00 0.00 C ATOM 654 NE1 TRP A 43 5.094 -6.962 -8.445 1.00 0.00 N ATOM 655 CE2 TRP A 43 4.859 -5.904 -9.291 1.00 0.00 C ATOM 656 CE3 TRP A 43 4.415 -5.629 -11.657 1.00 0.00 C ATOM 657 CZ2 TRP A 43 4.799 -4.519 -9.091 1.00 0.00 C ATOM 658 CZ3 TRP A 43 4.373 -4.233 -11.470 1.00 0.00 C ATOM 659 CH2 TRP A 43 4.557 -3.683 -10.191 1.00 0.00 C ATOM 0 H TRP A 43 4.655 -11.439 -10.573 1.00 0.00 H new ATOM 0 HA TRP A 43 2.748 -9.260 -10.184 1.00 0.00 H new ATOM 0 HB2 TRP A 43 5.422 -9.614 -11.507 1.00 0.00 H new ATOM 0 HB3 TRP A 43 4.317 -8.568 -12.378 1.00 0.00 H new ATOM 0 HD1 TRP A 43 5.185 -9.137 -8.664 1.00 0.00 H new ATOM 0 HE1 TRP A 43 5.291 -6.868 -7.449 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.259 -6.038 -12.644 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 4.937 -4.101 -8.105 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 4.198 -3.583 -12.314 1.00 0.00 H new ATOM 0 HH2 TRP A 43 4.512 -2.613 -10.054 1.00 0.00 H new ATOM 670 N THR A 44 1.421 -9.278 -12.148 1.00 0.00 N ATOM 671 CA THR A 44 0.443 -9.350 -13.222 1.00 0.00 C ATOM 672 C THR A 44 0.074 -7.922 -13.619 1.00 0.00 C ATOM 673 O THR A 44 0.201 -7.012 -12.807 1.00 0.00 O ATOM 674 CB THR A 44 -0.799 -10.146 -12.781 1.00 0.00 C ATOM 675 OG1 THR A 44 -0.455 -10.978 -11.681 1.00 0.00 O ATOM 676 CG2 THR A 44 -1.286 -11.018 -13.940 1.00 0.00 C ATOM 0 H THR A 44 1.279 -8.496 -11.508 1.00 0.00 H new ATOM 0 HA THR A 44 0.864 -9.874 -14.080 1.00 0.00 H new ATOM 0 HB THR A 44 -1.590 -9.455 -12.489 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.245 -10.421 -10.903 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.165 -11.581 -13.627 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.544 -10.384 -14.789 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.496 -11.711 -14.231 1.00 0.00 H new ATOM 684 N TYR A 45 -0.374 -7.706 -14.852 1.00 0.00 N ATOM 685 CA TYR A 45 -0.733 -6.356 -15.279 1.00 0.00 C ATOM 686 C TYR A 45 -1.844 -6.401 -16.317 1.00 0.00 C ATOM 687 O TYR A 45 -1.831 -7.235 -17.218 1.00 0.00 O ATOM 688 CB TYR A 45 0.509 -5.672 -15.863 1.00 0.00 C ATOM 689 CG TYR A 45 0.161 -4.397 -16.625 1.00 0.00 C ATOM 690 CD1 TYR A 45 -0.843 -3.519 -16.179 1.00 0.00 C ATOM 691 CD2 TYR A 45 0.873 -4.089 -17.802 1.00 0.00 C ATOM 692 CE1 TYR A 45 -1.129 -2.339 -16.888 1.00 0.00 C ATOM 693 CE2 TYR A 45 0.595 -2.902 -18.505 1.00 0.00 C ATOM 694 CZ TYR A 45 -0.403 -2.027 -18.046 1.00 0.00 C ATOM 695 OH TYR A 45 -0.678 -0.860 -18.733 1.00 0.00 O ATOM 0 H TYR A 45 -0.496 -8.430 -15.560 1.00 0.00 H new ATOM 0 HA TYR A 45 -1.095 -5.791 -14.420 1.00 0.00 H new ATOM 0 HB2 TYR A 45 1.203 -5.433 -15.057 1.00 0.00 H new ATOM 0 HB3 TYR A 45 1.022 -6.364 -16.531 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -1.400 -3.753 -15.284 1.00 0.00 H new ATOM 0 HD2 TYR A 45 1.633 -4.765 -18.165 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -1.906 -1.674 -16.541 1.00 0.00 H new ATOM 0 HE2 TYR A 45 1.151 -2.663 -19.400 1.00 0.00 H new ATOM 0 HH TYR A 45 -0.677 -1.040 -19.696 1.00 0.00 H new ATOM 705 N ASP A 46 -2.756 -5.440 -16.234 1.00 0.00 N ATOM 706 CA ASP A 46 -3.827 -5.292 -17.212 1.00 0.00 C ATOM 707 C ASP A 46 -3.795 -3.844 -17.687 1.00 0.00 C ATOM 708 O ASP A 46 -3.840 -2.925 -16.871 1.00 0.00 O ATOM 709 CB ASP A 46 -5.192 -5.681 -16.586 1.00 0.00 C ATOM 710 CG ASP A 46 -6.157 -4.497 -16.569 1.00 0.00 C ATOM 711 OD1 ASP A 46 -6.224 -3.774 -17.593 1.00 0.00 O ATOM 712 OD2 ASP A 46 -6.798 -4.235 -15.522 1.00 0.00 O ATOM 0 H ASP A 46 -2.774 -4.743 -15.489 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.688 -5.959 -18.063 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.632 -6.502 -17.151 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -5.038 -6.041 -15.569 1.00 0.00 H new ATOM 717 N ASP A 47 -3.732 -3.631 -18.984 1.00 0.00 N ATOM 718 CA ASP A 47 -3.708 -2.283 -19.501 1.00 0.00 C ATOM 719 C ASP A 47 -5.127 -1.706 -19.638 1.00 0.00 C ATOM 720 O ASP A 47 -5.438 -0.627 -19.131 1.00 0.00 O ATOM 721 CB ASP A 47 -3.078 -2.374 -20.886 1.00 0.00 C ATOM 722 CG ASP A 47 -1.641 -2.871 -20.778 1.00 0.00 C ATOM 723 OD1 ASP A 47 -1.442 -4.107 -20.706 1.00 0.00 O ATOM 724 OD2 ASP A 47 -0.711 -2.034 -20.705 1.00 0.00 O ATOM 0 H ASP A 47 -3.697 -4.365 -19.691 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.153 -1.631 -18.826 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.658 -3.050 -21.514 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.097 -1.396 -21.367 1.00 0.00 H new ATOM 729 N ALA A 48 -5.918 -2.405 -20.440 1.00 0.00 N ATOM 730 CA ALA A 48 -7.289 -1.995 -20.837 1.00 0.00 C ATOM 731 C ALA A 48 -8.377 -2.240 -19.809 1.00 0.00 C ATOM 732 O ALA A 48 -9.543 -1.934 -20.057 1.00 0.00 O ATOM 733 CB ALA A 48 -7.682 -2.748 -22.101 1.00 0.00 C ATOM 0 H ALA A 48 -5.633 -3.294 -20.850 1.00 0.00 H new ATOM 0 HA ALA A 48 -7.229 -0.915 -20.970 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -8.688 -2.454 -22.402 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.980 -2.509 -22.900 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.660 -3.820 -21.907 1.00 0.00 H new ATOM 739 N THR A 49 -8.013 -2.756 -18.671 1.00 0.00 N ATOM 740 CA THR A 49 -8.983 -3.007 -17.604 1.00 0.00 C ATOM 741 C THR A 49 -8.447 -2.424 -16.312 1.00 0.00 C ATOM 742 O THR A 49 -8.947 -2.718 -15.225 1.00 0.00 O ATOM 743 CB THR A 49 -9.306 -4.518 -17.467 1.00 0.00 C ATOM 744 OG1 THR A 49 -8.797 -5.019 -16.241 1.00 0.00 O ATOM 745 CG2 THR A 49 -8.707 -5.307 -18.635 1.00 0.00 C ATOM 0 H THR A 49 -7.054 -3.017 -18.442 1.00 0.00 H new ATOM 0 HA THR A 49 -9.926 -2.519 -17.851 1.00 0.00 H new ATOM 0 HB THR A 49 -10.389 -4.638 -17.482 1.00 0.00 H new ATOM 0 HG1 THR A 49 -8.341 -4.299 -15.758 1.00 0.00 H new ATOM 0 HG21 THR A 49 -8.945 -6.364 -18.520 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.124 -4.941 -19.573 1.00 0.00 H new ATOM 0 HG23 THR A 49 -7.625 -5.178 -18.644 1.00 0.00 H new ATOM 753 N LYS A 50 -7.439 -1.556 -16.441 1.00 0.00 N ATOM 754 CA LYS A 50 -6.856 -0.893 -15.290 1.00 0.00 C ATOM 755 C LYS A 50 -6.692 -1.866 -14.149 1.00 0.00 C ATOM 756 O LYS A 50 -7.471 -1.847 -13.198 1.00 0.00 O ATOM 757 CB LYS A 50 -7.765 0.255 -14.849 1.00 0.00 C ATOM 758 CG LYS A 50 -8.143 1.127 -16.066 1.00 0.00 C ATOM 759 CD LYS A 50 -9.242 0.448 -16.917 1.00 0.00 C ATOM 760 CE LYS A 50 -10.183 1.507 -17.512 1.00 0.00 C ATOM 761 NZ LYS A 50 -10.919 2.201 -16.412 1.00 0.00 N ATOM 0 H LYS A 50 -7.016 -1.302 -17.334 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.876 -0.505 -15.567 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.666 -0.143 -14.382 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.259 0.863 -14.099 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.493 2.101 -15.725 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.260 1.303 -16.680 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.785 -0.134 -17.718 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.810 -0.249 -16.301 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.611 2.230 -18.093 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.890 1.037 -18.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.857 2.494 -16.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.030 1.553 -15.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -10.383 3.040 -16.111 1.00 0.00 H new ATOM 775 N THR A 51 -5.637 -2.670 -14.188 1.00 0.00 N ATOM 776 CA THR A 51 -5.409 -3.569 -13.053 1.00 0.00 C ATOM 777 C THR A 51 -3.985 -4.093 -12.915 1.00 0.00 C ATOM 778 O THR A 51 -3.233 -4.242 -13.877 1.00 0.00 O ATOM 779 CB THR A 51 -6.433 -4.721 -13.028 1.00 0.00 C ATOM 780 OG1 THR A 51 -7.707 -4.214 -13.393 1.00 0.00 O ATOM 781 CG2 THR A 51 -6.533 -5.323 -11.618 1.00 0.00 C ATOM 0 H THR A 51 -4.957 -2.724 -14.946 1.00 0.00 H new ATOM 0 HA THR A 51 -5.560 -2.941 -12.175 1.00 0.00 H new ATOM 0 HB THR A 51 -6.109 -5.493 -13.726 1.00 0.00 H new ATOM 0 HG1 THR A 51 -7.901 -3.409 -12.869 1.00 0.00 H new ATOM 0 HG21 THR A 51 -7.261 -6.135 -11.620 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.559 -5.709 -11.317 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.850 -4.553 -10.915 1.00 0.00 H new ATOM 789 N PHE A 52 -3.705 -4.437 -11.673 1.00 0.00 N ATOM 790 CA PHE A 52 -2.463 -5.055 -11.232 1.00 0.00 C ATOM 791 C PHE A 52 -2.798 -6.143 -10.237 1.00 0.00 C ATOM 792 O PHE A 52 -3.779 -6.032 -9.501 1.00 0.00 O ATOM 793 CB PHE A 52 -1.449 -4.068 -10.614 1.00 0.00 C ATOM 794 CG PHE A 52 -0.448 -3.642 -11.628 1.00 0.00 C ATOM 795 CD1 PHE A 52 0.653 -4.479 -11.885 1.00 0.00 C ATOM 796 CD2 PHE A 52 -0.596 -2.440 -12.345 1.00 0.00 C ATOM 797 CE1 PHE A 52 1.597 -4.119 -12.863 1.00 0.00 C ATOM 798 CE2 PHE A 52 0.353 -2.074 -13.317 1.00 0.00 C ATOM 799 CZ PHE A 52 1.443 -2.921 -13.582 1.00 0.00 C ATOM 0 H PHE A 52 -4.363 -4.288 -10.908 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.973 -5.459 -12.118 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.974 -3.196 -10.224 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.943 -4.538 -9.771 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.773 -5.398 -11.331 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.441 -1.797 -12.148 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.441 -4.763 -13.062 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.244 -1.145 -13.858 1.00 0.00 H new ATOM 0 HZ PHE A 52 2.164 -2.651 -14.340 1.00 0.00 H new ATOM 809 N THR A 53 -1.952 -7.164 -10.170 1.00 0.00 N ATOM 810 CA THR A 53 -2.164 -8.230 -9.199 1.00 0.00 C ATOM 811 C THR A 53 -0.846 -8.663 -8.572 1.00 0.00 C ATOM 812 O THR A 53 0.001 -9.286 -9.214 1.00 0.00 O ATOM 813 CB THR A 53 -2.866 -9.420 -9.868 1.00 0.00 C ATOM 814 OG1 THR A 53 -3.753 -8.929 -10.864 1.00 0.00 O ATOM 815 CG2 THR A 53 -3.667 -10.209 -8.823 1.00 0.00 C ATOM 0 H THR A 53 -1.130 -7.276 -10.763 1.00 0.00 H new ATOM 0 HA THR A 53 -2.804 -7.851 -8.402 1.00 0.00 H new ATOM 0 HB THR A 53 -2.121 -10.076 -10.318 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.206 -9.682 -11.299 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.162 -11.052 -9.305 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.993 -10.578 -8.050 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.415 -9.558 -8.371 1.00 0.00 H new ATOM 823 N VAL A 54 -0.706 -8.356 -7.293 1.00 0.00 N ATOM 824 CA VAL A 54 0.483 -8.734 -6.528 1.00 0.00 C ATOM 825 C VAL A 54 0.147 -10.024 -5.779 1.00 0.00 C ATOM 826 O VAL A 54 -0.917 -10.117 -5.165 1.00 0.00 O ATOM 827 CB VAL A 54 0.872 -7.616 -5.548 1.00 0.00 C ATOM 828 CG1 VAL A 54 2.021 -8.069 -4.641 1.00 0.00 C ATOM 829 CG2 VAL A 54 1.319 -6.382 -6.338 1.00 0.00 C ATOM 0 H VAL A 54 -1.404 -7.842 -6.755 1.00 0.00 H new ATOM 0 HA VAL A 54 1.335 -8.889 -7.190 1.00 0.00 H new ATOM 0 HB VAL A 54 0.006 -7.377 -4.931 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.282 -7.264 -3.954 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.711 -8.945 -4.072 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.888 -8.321 -5.251 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.596 -5.587 -5.645 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.178 -6.638 -6.958 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.502 -6.041 -6.974 1.00 0.00 H new ATOM 839 N THR A 55 1.074 -10.982 -5.781 1.00 0.00 N ATOM 840 CA THR A 55 0.836 -12.237 -5.050 1.00 0.00 C ATOM 841 C THR A 55 2.059 -12.786 -4.325 1.00 0.00 C ATOM 842 O THR A 55 2.953 -13.372 -4.925 1.00 0.00 O ATOM 843 CB THR A 55 0.232 -13.262 -6.026 1.00 0.00 C ATOM 844 OG1 THR A 55 -1.084 -12.843 -6.371 1.00 0.00 O ATOM 845 CG2 THR A 55 0.169 -14.655 -5.386 1.00 0.00 C ATOM 0 H THR A 55 1.971 -10.923 -6.263 1.00 0.00 H new ATOM 0 HA THR A 55 0.133 -12.024 -4.245 1.00 0.00 H new ATOM 0 HB THR A 55 0.861 -13.320 -6.914 1.00 0.00 H new ATOM 0 HG1 THR A 55 -1.480 -13.488 -6.994 1.00 0.00 H new ATOM 0 HG21 THR A 55 -0.261 -15.362 -6.095 1.00 0.00 H new ATOM 0 HG22 THR A 55 1.175 -14.978 -5.117 1.00 0.00 H new ATOM 0 HG23 THR A 55 -0.451 -14.616 -4.490 1.00 0.00 H new ATOM 853 N GLU A 56 2.049 -12.595 -3.010 1.00 0.00 N ATOM 854 CA GLU A 56 3.136 -13.068 -2.160 1.00 0.00 C ATOM 855 C GLU A 56 3.569 -14.461 -2.607 1.00 0.00 C ATOM 856 O GLU A 56 4.756 -14.647 -2.822 1.00 0.00 O ATOM 857 CB GLU A 56 2.687 -13.102 -0.691 1.00 0.00 C ATOM 858 CG GLU A 56 3.902 -13.281 0.231 1.00 0.00 C ATOM 859 CD GLU A 56 4.504 -14.668 0.036 1.00 0.00 C ATOM 860 OE1 GLU A 56 3.725 -15.603 -0.257 1.00 0.00 O ATOM 861 OE2 GLU A 56 5.744 -14.811 0.104 1.00 0.00 O ATOM 862 OXT GLU A 56 2.711 -15.317 -2.722 1.00 0.00 O ATOM 0 H GLU A 56 1.300 -12.116 -2.510 1.00 0.00 H new ATOM 0 HA GLU A 56 3.980 -12.384 -2.250 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.165 -12.178 -0.441 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.981 -13.919 -0.538 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.649 -12.517 0.014 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.603 -13.148 1.271 1.00 0.00 H new ATOM 870 N MET B 1 -4.721 -6.673 19.563 1.00 0.00 N ATOM 871 CA MET B 1 -5.894 -7.036 18.722 1.00 0.00 C ATOM 872 C MET B 1 -5.623 -6.620 17.284 1.00 0.00 C ATOM 873 O MET B 1 -4.495 -6.328 16.921 1.00 0.00 O ATOM 874 CB MET B 1 -7.158 -6.341 19.291 1.00 0.00 C ATOM 875 CG MET B 1 -7.392 -4.936 18.689 1.00 0.00 C ATOM 876 SD MET B 1 -5.835 -4.019 18.536 1.00 0.00 S ATOM 877 CE MET B 1 -5.578 -3.706 20.298 1.00 0.00 C ATOM 0 H1 MET B 1 -5.016 -6.599 20.557 1.00 0.00 H new ATOM 0 H2 MET B 1 -3.989 -7.406 19.473 1.00 0.00 H new ATOM 0 H3 MET B 1 -4.337 -5.759 19.247 1.00 0.00 H new ATOM 0 HA MET B 1 -6.063 -8.113 18.737 1.00 0.00 H new ATOM 0 HB2 MET B 1 -8.030 -6.965 19.094 1.00 0.00 H new ATOM 0 HB3 MET B 1 -7.064 -6.256 20.374 1.00 0.00 H new ATOM 0 HG2 MET B 1 -7.859 -5.031 17.709 1.00 0.00 H new ATOM 0 HG3 MET B 1 -8.085 -4.378 19.319 1.00 0.00 H new ATOM 0 HE1 MET B 1 -4.916 -2.849 20.423 1.00 0.00 H new ATOM 0 HE2 MET B 1 -6.536 -3.497 20.774 1.00 0.00 H new ATOM 0 HE3 MET B 1 -5.127 -4.583 20.761 1.00 0.00 H new ATOM 889 N GLN B 2 -6.652 -6.576 16.469 1.00 0.00 N ATOM 890 CA GLN B 2 -6.464 -6.163 15.093 1.00 0.00 C ATOM 891 C GLN B 2 -6.187 -4.661 15.088 1.00 0.00 C ATOM 892 O GLN B 2 -6.795 -3.920 15.840 1.00 0.00 O ATOM 893 CB GLN B 2 -7.722 -6.509 14.275 1.00 0.00 C ATOM 894 CG GLN B 2 -7.603 -6.066 12.800 1.00 0.00 C ATOM 895 CD GLN B 2 -6.194 -6.268 12.244 1.00 0.00 C ATOM 896 OE1 GLN B 2 -5.424 -5.316 12.227 1.00 0.00 O ATOM 897 NE2 GLN B 2 -5.841 -7.419 11.721 1.00 0.00 N ATOM 0 H GLN B 2 -7.610 -6.815 16.725 1.00 0.00 H new ATOM 0 HA GLN B 2 -5.622 -6.684 14.636 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -7.895 -7.584 14.316 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -8.590 -6.029 14.727 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -8.314 -6.630 12.196 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -7.877 -5.014 12.716 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -6.488 -8.207 11.739 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -4.920 -7.525 11.297 1.00 0.00 H new ATOM 906 N TYR B 3 -5.252 -4.220 14.257 1.00 0.00 N ATOM 907 CA TYR B 3 -4.891 -2.798 14.164 1.00 0.00 C ATOM 908 C TYR B 3 -5.268 -2.300 12.777 1.00 0.00 C ATOM 909 O TYR B 3 -5.506 -3.117 11.897 1.00 0.00 O ATOM 910 CB TYR B 3 -3.398 -2.650 14.452 1.00 0.00 C ATOM 911 CG TYR B 3 -3.185 -3.038 15.891 1.00 0.00 C ATOM 912 CD1 TYR B 3 -3.373 -2.080 16.906 1.00 0.00 C ATOM 913 CD2 TYR B 3 -2.839 -4.360 16.239 1.00 0.00 C ATOM 914 CE1 TYR B 3 -3.230 -2.450 18.257 1.00 0.00 C ATOM 915 CE2 TYR B 3 -2.701 -4.728 17.590 1.00 0.00 C ATOM 916 CZ TYR B 3 -2.905 -3.771 18.598 1.00 0.00 C ATOM 917 OH TYR B 3 -2.761 -4.129 19.922 1.00 0.00 O ATOM 0 H TYR B 3 -4.722 -4.826 13.630 1.00 0.00 H new ATOM 0 HA TYR B 3 -5.428 -2.195 14.896 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -2.813 -3.288 13.790 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -3.072 -1.625 14.277 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -3.627 -1.062 16.648 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -2.679 -5.095 15.464 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -3.371 -1.713 19.034 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -2.439 -5.743 17.851 1.00 0.00 H new ATOM 0 HH TYR B 3 -2.536 -5.081 19.981 1.00 0.00 H new ATOM 927 N LYS B 4 -5.349 -0.986 12.523 1.00 0.00 N ATOM 928 CA LYS B 4 -5.728 -0.517 11.187 1.00 0.00 C ATOM 929 C LYS B 4 -4.870 0.677 10.776 1.00 0.00 C ATOM 930 O LYS B 4 -4.605 1.566 11.581 1.00 0.00 O ATOM 931 CB LYS B 4 -7.207 -0.132 11.186 1.00 0.00 C ATOM 932 CG LYS B 4 -7.642 0.281 9.785 1.00 0.00 C ATOM 933 CD LYS B 4 -9.140 0.578 9.817 1.00 0.00 C ATOM 934 CE LYS B 4 -9.632 0.970 8.425 1.00 0.00 C ATOM 935 NZ LYS B 4 -11.094 1.260 8.491 1.00 0.00 N ATOM 0 H LYS B 4 -5.163 -0.250 13.204 1.00 0.00 H new ATOM 0 HA LYS B 4 -5.563 -1.318 10.467 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -7.810 -0.973 11.529 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -7.378 0.688 11.884 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -7.087 1.161 9.459 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -7.428 -0.514 9.071 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -9.684 -0.298 10.169 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -9.343 1.384 10.522 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -9.090 1.845 8.067 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -9.440 0.164 7.717 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -11.438 1.528 7.547 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -11.602 0.413 8.817 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -11.263 2.042 9.156 1.00 0.00 H new ATOM 949 N LEU B 5 -4.441 0.674 9.514 1.00 0.00 N ATOM 950 CA LEU B 5 -3.599 1.741 8.956 1.00 0.00 C ATOM 951 C LEU B 5 -4.406 2.646 8.060 1.00 0.00 C ATOM 952 O LEU B 5 -4.943 2.202 7.056 1.00 0.00 O ATOM 953 CB LEU B 5 -2.462 1.094 8.134 1.00 0.00 C ATOM 954 CG LEU B 5 -1.295 2.067 7.798 1.00 0.00 C ATOM 955 CD1 LEU B 5 -1.803 3.301 7.035 1.00 0.00 C ATOM 956 CD2 LEU B 5 -0.522 2.496 9.077 1.00 0.00 C ATOM 0 H LEU B 5 -4.665 -0.065 8.848 1.00 0.00 H new ATOM 0 HA LEU B 5 -3.192 2.337 9.773 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -2.065 0.243 8.688 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -2.876 0.704 7.204 1.00 0.00 H new ATOM 0 HG LEU B 5 -0.601 1.528 7.153 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -0.965 3.963 6.814 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -2.271 2.985 6.103 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -2.533 3.832 7.646 1.00 0.00 H new ATOM 0 HD21 LEU B 5 0.286 3.175 8.803 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -1.204 3.000 9.762 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -0.105 1.614 9.563 1.00 0.00 H new ATOM 968 N ILE B 6 -4.431 3.935 8.390 1.00 0.00 N ATOM 969 CA ILE B 6 -5.108 4.919 7.556 1.00 0.00 C ATOM 970 C ILE B 6 -4.033 5.730 6.877 1.00 0.00 C ATOM 971 O ILE B 6 -3.087 6.182 7.523 1.00 0.00 O ATOM 972 CB ILE B 6 -6.006 5.818 8.379 1.00 0.00 C ATOM 973 CG1 ILE B 6 -7.024 4.934 9.086 1.00 0.00 C ATOM 974 CG2 ILE B 6 -6.709 6.807 7.445 1.00 0.00 C ATOM 975 CD1 ILE B 6 -7.880 5.776 10.022 1.00 0.00 C ATOM 0 H ILE B 6 -3.991 4.319 9.226 1.00 0.00 H new ATOM 0 HA ILE B 6 -5.747 4.420 6.828 1.00 0.00 H new ATOM 0 HB ILE B 6 -5.435 6.383 9.116 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -7.656 4.434 8.352 1.00 0.00 H new ATOM 0 HG13 ILE B 6 -6.512 4.154 9.650 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -7.359 7.459 8.028 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -5.964 7.408 6.924 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -7.306 6.258 6.716 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -8.606 5.137 10.524 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -7.243 6.255 10.765 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -8.405 6.539 9.447 1.00 0.00 H new ATOM 987 N LEU B 7 -4.135 5.852 5.564 1.00 0.00 N ATOM 988 CA LEU B 7 -3.115 6.541 4.789 1.00 0.00 C ATOM 989 C LEU B 7 -3.574 7.895 4.282 1.00 0.00 C ATOM 990 O LEU B 7 -4.541 8.008 3.530 1.00 0.00 O ATOM 991 CB LEU B 7 -2.717 5.652 3.619 1.00 0.00 C ATOM 992 CG LEU B 7 -1.499 6.223 2.887 1.00 0.00 C ATOM 993 CD1 LEU B 7 -0.269 6.268 3.822 1.00 0.00 C ATOM 994 CD2 LEU B 7 -1.202 5.320 1.690 1.00 0.00 C ATOM 0 H LEU B 7 -4.911 5.484 5.013 1.00 0.00 H new ATOM 0 HA LEU B 7 -2.264 6.730 5.443 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -2.492 4.649 3.980 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -3.553 5.561 2.926 1.00 0.00 H new ATOM 0 HG LEU B 7 -1.711 7.241 2.560 1.00 0.00 H new ATOM 0 HD11 LEU B 7 0.584 6.677 3.281 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -0.489 6.899 4.683 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -0.034 5.260 4.162 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -0.337 5.705 1.150 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -0.991 4.309 2.040 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -2.066 5.301 1.025 1.00 0.00 H new ATOM 1006 N ASN B 8 -2.795 8.904 4.644 1.00 0.00 N ATOM 1007 CA ASN B 8 -3.038 10.259 4.157 1.00 0.00 C ATOM 1008 C ASN B 8 -1.786 10.807 3.495 1.00 0.00 C ATOM 1009 O ASN B 8 -0.703 10.822 4.084 1.00 0.00 O ATOM 1010 CB ASN B 8 -3.516 11.187 5.266 1.00 0.00 C ATOM 1011 CG ASN B 8 -4.379 10.434 6.259 1.00 0.00 C ATOM 1012 OD1 ASN B 8 -5.556 10.197 6.012 1.00 0.00 O ATOM 1013 ND2 ASN B 8 -3.847 10.144 7.424 1.00 0.00 N ATOM 0 H ASN B 8 -1.994 8.814 5.269 1.00 0.00 H new ATOM 0 HA ASN B 8 -3.838 10.209 3.418 1.00 0.00 H new ATOM 0 HB2 ASN B 8 -2.658 11.622 5.779 1.00 0.00 H new ATOM 0 HB3 ASN B 8 -4.083 12.013 4.837 1.00 0.00 H new ATOM 0 HD21 ASN B 8 -4.416 9.710 8.151 1.00 0.00 H new ATOM 0 HD22 ASN B 8 -2.865 10.352 7.602 1.00 0.00 H new ATOM 1020 N GLY B 9 -1.954 11.261 2.270 1.00 0.00 N ATOM 1021 CA GLY B 9 -0.840 11.821 1.517 1.00 0.00 C ATOM 1022 C GLY B 9 -1.270 12.345 0.154 1.00 0.00 C ATOM 1023 O GLY B 9 -2.455 12.389 -0.160 1.00 0.00 O ATOM 0 H GLY B 9 -2.845 11.256 1.773 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -0.388 12.631 2.089 1.00 0.00 H new ATOM 0 HA3 GLY B 9 -0.073 11.058 1.385 1.00 0.00 H new ATOM 1027 N LYS B 10 -0.288 12.760 -0.645 1.00 0.00 N ATOM 1028 CA LYS B 10 -0.552 13.304 -1.975 1.00 0.00 C ATOM 1029 C LYS B 10 -0.256 12.267 -3.060 1.00 0.00 C ATOM 1030 O LYS B 10 -1.072 12.039 -3.951 1.00 0.00 O ATOM 1031 CB LYS B 10 0.324 14.541 -2.188 1.00 0.00 C ATOM 1032 CG LYS B 10 0.192 15.503 -0.994 1.00 0.00 C ATOM 1033 CD LYS B 10 -1.244 16.038 -0.890 1.00 0.00 C ATOM 1034 CE LYS B 10 -1.297 17.182 0.126 1.00 0.00 C ATOM 1035 NZ LYS B 10 -1.026 16.647 1.489 1.00 0.00 N ATOM 0 H LYS B 10 0.700 12.729 -0.393 1.00 0.00 H new ATOM 0 HA LYS B 10 -1.606 13.574 -2.044 1.00 0.00 H new ATOM 0 HB2 LYS B 10 1.365 14.241 -2.308 1.00 0.00 H new ATOM 0 HB3 LYS B 10 0.030 15.049 -3.107 1.00 0.00 H new ATOM 0 HG2 LYS B 10 0.462 14.987 -0.072 1.00 0.00 H new ATOM 0 HG3 LYS B 10 0.888 16.334 -1.110 1.00 0.00 H new ATOM 0 HD2 LYS B 10 -1.583 16.389 -1.865 1.00 0.00 H new ATOM 0 HD3 LYS B 10 -1.919 15.238 -0.587 1.00 0.00 H new ATOM 0 HE2 LYS B 10 -0.561 17.945 -0.130 1.00 0.00 H new ATOM 0 HE3 LYS B 10 -2.276 17.661 0.100 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 -1.194 17.392 2.194 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 -1.657 15.843 1.678 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 -0.037 16.332 1.548 1.00 0.00 H new ATOM 1049 N THR B 11 0.920 11.651 -2.983 1.00 0.00 N ATOM 1050 CA THR B 11 1.328 10.645 -3.968 1.00 0.00 C ATOM 1051 C THR B 11 0.736 9.265 -3.655 1.00 0.00 C ATOM 1052 O THR B 11 0.758 8.368 -4.497 1.00 0.00 O ATOM 1053 CB THR B 11 2.856 10.533 -3.975 1.00 0.00 C ATOM 1054 OG1 THR B 11 3.425 11.777 -4.358 1.00 0.00 O ATOM 1055 CG2 THR B 11 3.287 9.446 -4.961 1.00 0.00 C ATOM 0 H THR B 11 1.609 11.828 -2.252 1.00 0.00 H new ATOM 0 HA THR B 11 0.956 10.965 -4.941 1.00 0.00 H new ATOM 0 HB THR B 11 3.202 10.271 -2.975 1.00 0.00 H new ATOM 0 HG1 THR B 11 4.402 11.703 -4.360 1.00 0.00 H new ATOM 0 HG21 THR B 11 4.374 9.368 -4.964 1.00 0.00 H new ATOM 0 HG22 THR B 11 2.856 8.491 -4.661 1.00 0.00 H new ATOM 0 HG23 THR B 11 2.939 9.703 -5.961 1.00 0.00 H new ATOM 1063 N LEU B 12 0.191 9.107 -2.454 1.00 0.00 N ATOM 1064 CA LEU B 12 -0.402 7.820 -2.070 1.00 0.00 C ATOM 1065 C LEU B 12 -1.555 8.005 -1.090 1.00 0.00 C ATOM 1066 O LEU B 12 -1.521 8.882 -0.225 1.00 0.00 O ATOM 1067 CB LEU B 12 0.668 6.900 -1.459 1.00 0.00 C ATOM 1068 CG LEU B 12 0.205 5.424 -1.542 1.00 0.00 C ATOM 1069 CD1 LEU B 12 0.257 4.925 -3.007 1.00 0.00 C ATOM 1070 CD2 LEU B 12 1.101 4.523 -0.646 1.00 0.00 C ATOM 0 H LEU B 12 0.144 9.833 -1.739 1.00 0.00 H new ATOM 0 HA LEU B 12 -0.800 7.357 -2.973 1.00 0.00 H new ATOM 0 HB2 LEU B 12 1.612 7.024 -1.989 1.00 0.00 H new ATOM 0 HB3 LEU B 12 0.847 7.176 -0.420 1.00 0.00 H new ATOM 0 HG LEU B 12 -0.823 5.366 -1.184 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -0.071 3.886 -3.049 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -0.400 5.538 -3.624 1.00 0.00 H new ATOM 0 HD13 LEU B 12 1.278 4.998 -3.380 1.00 0.00 H new ATOM 0 HD21 LEU B 12 0.762 3.489 -0.716 1.00 0.00 H new ATOM 0 HD22 LEU B 12 2.136 4.589 -0.982 1.00 0.00 H new ATOM 0 HD23 LEU B 12 1.034 4.858 0.389 1.00 0.00 H new ATOM 1082 N LYS B 13 -2.550 7.127 -1.207 1.00 0.00 N ATOM 1083 CA LYS B 13 -3.708 7.126 -0.319 1.00 0.00 C ATOM 1084 C LYS B 13 -4.218 5.689 -0.181 1.00 0.00 C ATOM 1085 O LYS B 13 -4.033 4.882 -1.093 1.00 0.00 O ATOM 1086 CB LYS B 13 -4.811 8.037 -0.858 1.00 0.00 C ATOM 1087 CG LYS B 13 -4.402 9.504 -0.701 1.00 0.00 C ATOM 1088 CD LYS B 13 -5.514 10.400 -1.255 1.00 0.00 C ATOM 1089 CE LYS B 13 -5.134 11.871 -1.074 1.00 0.00 C ATOM 1090 NZ LYS B 13 -4.912 12.156 0.374 1.00 0.00 N ATOM 0 H LYS B 13 -2.575 6.398 -1.920 1.00 0.00 H new ATOM 0 HA LYS B 13 -3.415 7.510 0.658 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -4.998 7.813 -1.908 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -5.742 7.851 -0.322 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -4.223 9.734 0.349 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -3.469 9.692 -1.232 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -5.675 10.184 -2.311 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -6.452 10.191 -0.740 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -4.231 12.096 -1.642 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -5.925 12.512 -1.464 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -5.426 13.020 0.641 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -5.259 11.357 0.942 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -3.896 12.290 0.550 1.00 0.00 H new ATOM 1104 N GLY B 14 -4.844 5.354 0.946 1.00 0.00 N ATOM 1105 CA GLY B 14 -5.339 3.985 1.127 1.00 0.00 C ATOM 1106 C GLY B 14 -5.549 3.628 2.595 1.00 0.00 C ATOM 1107 O GLY B 14 -5.521 4.491 3.474 1.00 0.00 O ATOM 0 H GLY B 14 -5.018 5.987 1.727 1.00 0.00 H new ATOM 0 HA2 GLY B 14 -6.280 3.869 0.590 1.00 0.00 H new ATOM 0 HA3 GLY B 14 -4.631 3.285 0.684 1.00 0.00 H new ATOM 1111 N GLU B 15 -5.778 2.335 2.841 1.00 0.00 N ATOM 1112 CA GLU B 15 -6.010 1.830 4.194 1.00 0.00 C ATOM 1113 C GLU B 15 -5.558 0.365 4.311 1.00 0.00 C ATOM 1114 O GLU B 15 -6.035 -0.482 3.557 1.00 0.00 O ATOM 1115 CB GLU B 15 -7.509 1.872 4.525 1.00 0.00 C ATOM 1116 CG GLU B 15 -8.027 3.308 4.631 1.00 0.00 C ATOM 1117 CD GLU B 15 -9.533 3.270 4.864 1.00 0.00 C ATOM 1118 OE1 GLU B 15 -9.955 3.021 6.016 1.00 0.00 O ATOM 1119 OE2 GLU B 15 -10.286 3.391 3.873 1.00 0.00 O ATOM 0 H GLU B 15 -5.807 1.618 2.117 1.00 0.00 H new ATOM 0 HA GLU B 15 -5.443 2.459 4.880 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -8.067 1.340 3.754 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -7.689 1.350 5.465 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -7.531 3.829 5.450 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -7.800 3.860 3.719 1.00 0.00 H new ATOM 1126 N THR B 16 -4.656 0.058 5.254 1.00 0.00 N ATOM 1127 CA THR B 16 -4.185 -1.335 5.441 1.00 0.00 C ATOM 1128 C THR B 16 -4.677 -1.844 6.791 1.00 0.00 C ATOM 1129 O THR B 16 -5.138 -1.057 7.614 1.00 0.00 O ATOM 1130 CB THR B 16 -2.645 -1.457 5.367 1.00 0.00 C ATOM 1131 OG1 THR B 16 -2.077 -1.296 6.657 1.00 0.00 O ATOM 1132 CG2 THR B 16 -2.061 -0.401 4.420 1.00 0.00 C ATOM 0 H THR B 16 -4.240 0.737 5.892 1.00 0.00 H new ATOM 0 HA THR B 16 -4.591 -1.937 4.628 1.00 0.00 H new ATOM 0 HB THR B 16 -2.403 -2.449 4.984 1.00 0.00 H new ATOM 0 HG1 THR B 16 -1.102 -1.377 6.598 1.00 0.00 H new ATOM 0 HG21 THR B 16 -0.977 -0.505 4.383 1.00 0.00 H new ATOM 0 HG22 THR B 16 -2.473 -0.541 3.421 1.00 0.00 H new ATOM 0 HG23 THR B 16 -2.318 0.594 4.782 1.00 0.00 H new ATOM 1140 N THR B 17 -4.586 -3.156 7.038 1.00 0.00 N ATOM 1141 CA THR B 17 -5.030 -3.708 8.317 1.00 0.00 C ATOM 1142 C THR B 17 -4.180 -4.925 8.690 1.00 0.00 C ATOM 1143 O THR B 17 -3.903 -5.776 7.847 1.00 0.00 O ATOM 1144 CB THR B 17 -6.513 -4.119 8.228 1.00 0.00 C ATOM 1145 OG1 THR B 17 -7.215 -3.190 7.416 1.00 0.00 O ATOM 1146 CG2 THR B 17 -7.134 -4.133 9.627 1.00 0.00 C ATOM 0 H THR B 17 -4.216 -3.842 6.380 1.00 0.00 H new ATOM 0 HA THR B 17 -4.915 -2.944 9.086 1.00 0.00 H new ATOM 0 HB THR B 17 -6.581 -5.115 7.791 1.00 0.00 H new ATOM 0 HG1 THR B 17 -8.157 -3.453 7.358 1.00 0.00 H new ATOM 0 HG21 THR B 17 -8.182 -4.424 9.557 1.00 0.00 H new ATOM 0 HG22 THR B 17 -6.600 -4.846 10.255 1.00 0.00 H new ATOM 0 HG23 THR B 17 -7.062 -3.138 10.067 1.00 0.00 H new ATOM 1154 N THR B 18 -3.764 -5.006 9.950 1.00 0.00 N ATOM 1155 CA THR B 18 -2.950 -6.143 10.383 1.00 0.00 C ATOM 1156 C THR B 18 -3.136 -6.426 11.864 1.00 0.00 C ATOM 1157 O THR B 18 -3.149 -5.503 12.681 1.00 0.00 O ATOM 1158 CB THR B 18 -1.456 -5.868 10.087 1.00 0.00 C ATOM 1159 OG1 THR B 18 -0.771 -7.104 9.967 1.00 0.00 O ATOM 1160 CG2 THR B 18 -0.794 -5.049 11.213 1.00 0.00 C ATOM 0 H THR B 18 -3.969 -4.318 10.675 1.00 0.00 H new ATOM 0 HA THR B 18 -3.278 -7.021 9.826 1.00 0.00 H new ATOM 0 HB THR B 18 -1.397 -5.295 9.161 1.00 0.00 H new ATOM 0 HG1 THR B 18 0.176 -6.936 9.778 1.00 0.00 H new ATOM 0 HG21 THR B 18 0.254 -4.876 10.969 1.00 0.00 H new ATOM 0 HG22 THR B 18 -1.305 -4.092 11.316 1.00 0.00 H new ATOM 0 HG23 THR B 18 -0.862 -5.599 12.151 1.00 0.00 H new ATOM 1168 N GLU B 19 -3.202 -7.700 12.239 1.00 0.00 N ATOM 1169 CA GLU B 19 -3.288 -8.079 13.631 1.00 0.00 C ATOM 1170 C GLU B 19 -1.944 -8.688 13.909 1.00 0.00 C ATOM 1171 O GLU B 19 -1.498 -9.573 13.178 1.00 0.00 O ATOM 1172 CB GLU B 19 -4.394 -9.125 13.839 1.00 0.00 C ATOM 1173 CG GLU B 19 -4.471 -9.574 15.302 1.00 0.00 C ATOM 1174 CD GLU B 19 -5.412 -10.767 15.385 1.00 0.00 C ATOM 1175 OE1 GLU B 19 -4.913 -11.882 15.111 1.00 0.00 O ATOM 1176 OE2 GLU B 19 -6.640 -10.590 15.550 1.00 0.00 O ATOM 0 H GLU B 19 -3.197 -8.486 11.588 1.00 0.00 H new ATOM 0 HA GLU B 19 -3.527 -7.240 14.285 1.00 0.00 H new ATOM 0 HB2 GLU B 19 -5.354 -8.708 13.534 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -4.205 -9.989 13.201 1.00 0.00 H new ATOM 0 HG2 GLU B 19 -3.481 -9.845 15.669 1.00 0.00 H new ATOM 0 HG3 GLU B 19 -4.833 -8.760 15.931 1.00 0.00 H new ATOM 1183 N ALA B 20 -1.256 -8.159 14.883 1.00 0.00 N ATOM 1184 CA ALA B 20 0.100 -8.594 15.164 1.00 0.00 C ATOM 1185 C ALA B 20 0.135 -9.411 16.432 1.00 0.00 C ATOM 1186 O ALA B 20 -0.900 -9.639 17.058 1.00 0.00 O ATOM 1187 CB ALA B 20 0.994 -7.362 15.275 1.00 0.00 C ATOM 0 H ALA B 20 -1.605 -7.426 15.500 1.00 0.00 H new ATOM 0 HA ALA B 20 0.465 -9.229 14.356 1.00 0.00 H new ATOM 0 HB1 ALA B 20 2.017 -7.673 15.486 1.00 0.00 H new ATOM 0 HB2 ALA B 20 0.969 -6.809 14.336 1.00 0.00 H new ATOM 0 HB3 ALA B 20 0.635 -6.723 16.082 1.00 0.00 H new ATOM 1193 N VAL B 21 1.319 -9.858 16.819 1.00 0.00 N ATOM 1194 CA VAL B 21 1.412 -10.646 18.024 1.00 0.00 C ATOM 1195 C VAL B 21 0.899 -9.803 19.171 1.00 0.00 C ATOM 1196 O VAL B 21 0.205 -10.302 20.057 1.00 0.00 O ATOM 1197 CB VAL B 21 2.845 -11.122 18.275 1.00 0.00 C ATOM 1198 CG1 VAL B 21 3.784 -9.929 18.316 1.00 0.00 C ATOM 1199 CG2 VAL B 21 2.905 -11.858 19.612 1.00 0.00 C ATOM 0 H VAL B 21 2.199 -9.693 16.331 1.00 0.00 H new ATOM 0 HA VAL B 21 0.806 -11.547 17.925 1.00 0.00 H new ATOM 0 HB VAL B 21 3.149 -11.792 17.470 1.00 0.00 H new ATOM 0 HG11 VAL B 21 4.802 -10.274 18.495 1.00 0.00 H new ATOM 0 HG12 VAL B 21 3.742 -9.400 17.364 1.00 0.00 H new ATOM 0 HG13 VAL B 21 3.482 -9.256 19.119 1.00 0.00 H new ATOM 0 HG21 VAL B 21 3.924 -12.199 19.794 1.00 0.00 H new ATOM 0 HG22 VAL B 21 2.599 -11.184 20.412 1.00 0.00 H new ATOM 0 HG23 VAL B 21 2.235 -12.717 19.585 1.00 0.00 H new ATOM 1209 N ASP B 22 1.200 -8.504 19.142 1.00 0.00 N ATOM 1210 CA ASP B 22 0.726 -7.599 20.164 1.00 0.00 C ATOM 1211 C ASP B 22 0.894 -6.154 19.668 1.00 0.00 C ATOM 1212 O ASP B 22 1.493 -5.887 18.626 1.00 0.00 O ATOM 1213 CB ASP B 22 1.475 -7.837 21.499 1.00 0.00 C ATOM 1214 CG ASP B 22 1.681 -6.529 22.265 1.00 0.00 C ATOM 1215 OD1 ASP B 22 2.652 -5.807 21.931 1.00 0.00 O ATOM 1216 OD2 ASP B 22 0.858 -6.189 23.148 1.00 0.00 O ATOM 0 H ASP B 22 1.770 -8.065 18.419 1.00 0.00 H new ATOM 0 HA ASP B 22 -0.331 -7.783 20.357 1.00 0.00 H new ATOM 0 HB2 ASP B 22 0.910 -8.536 22.115 1.00 0.00 H new ATOM 0 HB3 ASP B 22 2.442 -8.299 21.298 1.00 0.00 H new ATOM 1221 N ALA B 23 0.306 -5.260 20.421 1.00 0.00 N ATOM 1222 CA ALA B 23 0.318 -3.847 20.070 1.00 0.00 C ATOM 1223 C ALA B 23 1.729 -3.390 19.671 1.00 0.00 C ATOM 1224 O ALA B 23 1.905 -2.742 18.654 1.00 0.00 O ATOM 1225 CB ALA B 23 -0.174 -3.009 21.252 1.00 0.00 C ATOM 0 H ALA B 23 -0.191 -5.478 21.285 1.00 0.00 H new ATOM 0 HA ALA B 23 -0.347 -3.705 19.218 1.00 0.00 H new ATOM 0 HB1 ALA B 23 -0.161 -1.954 20.980 1.00 0.00 H new ATOM 0 HB2 ALA B 23 -1.191 -3.305 21.510 1.00 0.00 H new ATOM 0 HB3 ALA B 23 0.479 -3.170 22.109 1.00 0.00 H new ATOM 1231 N ALA B 24 2.730 -3.750 20.453 1.00 0.00 N ATOM 1232 CA ALA B 24 4.109 -3.362 20.171 1.00 0.00 C ATOM 1233 C ALA B 24 4.550 -3.785 18.774 1.00 0.00 C ATOM 1234 O ALA B 24 5.340 -3.106 18.124 1.00 0.00 O ATOM 1235 CB ALA B 24 5.035 -4.022 21.194 1.00 0.00 C ATOM 0 H ALA B 24 2.617 -4.314 21.295 1.00 0.00 H new ATOM 0 HA ALA B 24 4.165 -2.275 20.231 1.00 0.00 H new ATOM 0 HB1 ALA B 24 6.067 -3.736 20.989 1.00 0.00 H new ATOM 0 HB2 ALA B 24 4.761 -3.695 22.197 1.00 0.00 H new ATOM 0 HB3 ALA B 24 4.939 -5.106 21.126 1.00 0.00 H new ATOM 1241 N THR B 25 4.013 -4.904 18.325 1.00 0.00 N ATOM 1242 CA THR B 25 4.342 -5.413 16.998 1.00 0.00 C ATOM 1243 C THR B 25 3.552 -4.693 15.910 1.00 0.00 C ATOM 1244 O THR B 25 4.136 -4.176 14.958 1.00 0.00 O ATOM 1245 CB THR B 25 4.115 -6.916 16.932 1.00 0.00 C ATOM 1246 OG1 THR B 25 4.803 -7.521 18.017 1.00 0.00 O ATOM 1247 CG2 THR B 25 4.652 -7.462 15.594 1.00 0.00 C ATOM 0 H THR B 25 3.353 -5.477 18.851 1.00 0.00 H new ATOM 0 HA THR B 25 5.399 -5.215 16.817 1.00 0.00 H new ATOM 0 HB THR B 25 3.051 -7.141 16.998 1.00 0.00 H new ATOM 0 HG1 THR B 25 5.567 -8.031 17.676 1.00 0.00 H new ATOM 0 HG21 THR B 25 4.489 -8.539 15.549 1.00 0.00 H new ATOM 0 HG22 THR B 25 4.129 -6.980 14.768 1.00 0.00 H new ATOM 0 HG23 THR B 25 5.719 -7.254 15.518 1.00 0.00 H new ATOM 1255 N ALA B 26 2.234 -4.648 16.048 1.00 0.00 N ATOM 1256 CA ALA B 26 1.423 -3.972 15.047 1.00 0.00 C ATOM 1257 C ALA B 26 1.943 -2.563 14.869 1.00 0.00 C ATOM 1258 O ALA B 26 1.929 -2.016 13.770 1.00 0.00 O ATOM 1259 CB ALA B 26 -0.040 -3.937 15.482 1.00 0.00 C ATOM 0 H ALA B 26 1.714 -5.060 16.823 1.00 0.00 H new ATOM 0 HA ALA B 26 1.486 -4.513 14.103 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -0.633 -3.428 14.722 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -0.407 -4.956 15.607 1.00 0.00 H new ATOM 0 HB3 ALA B 26 -0.126 -3.402 16.428 1.00 0.00 H new ATOM 1265 N GLU B 27 2.453 -2.002 15.948 1.00 0.00 N ATOM 1266 CA GLU B 27 3.033 -0.683 15.868 1.00 0.00 C ATOM 1267 C GLU B 27 4.295 -0.784 15.027 1.00 0.00 C ATOM 1268 O GLU B 27 4.544 0.025 14.132 1.00 0.00 O ATOM 1269 CB GLU B 27 3.437 -0.125 17.258 1.00 0.00 C ATOM 1270 CG GLU B 27 2.254 0.020 18.270 1.00 0.00 C ATOM 1271 CD GLU B 27 0.892 -0.257 17.643 1.00 0.00 C ATOM 1272 OE1 GLU B 27 0.466 -1.432 17.610 1.00 0.00 O ATOM 1273 OE2 GLU B 27 0.255 0.715 17.182 1.00 0.00 O ATOM 0 H GLU B 27 2.476 -2.432 16.873 1.00 0.00 H new ATOM 0 HA GLU B 27 2.289 -0.012 15.438 1.00 0.00 H new ATOM 0 HB2 GLU B 27 4.191 -0.781 17.693 1.00 0.00 H new ATOM 0 HB3 GLU B 27 3.903 0.851 17.122 1.00 0.00 H new ATOM 0 HG2 GLU B 27 2.410 -0.666 19.103 1.00 0.00 H new ATOM 0 HG3 GLU B 27 2.259 1.029 18.683 1.00 0.00 H new ATOM 1280 N LYS B 28 5.096 -1.790 15.365 1.00 0.00 N ATOM 1281 CA LYS B 28 6.387 -2.026 14.698 1.00 0.00 C ATOM 1282 C LYS B 28 6.289 -2.326 13.199 1.00 0.00 C ATOM 1283 O LYS B 28 7.046 -1.761 12.414 1.00 0.00 O ATOM 1284 CB LYS B 28 7.095 -3.204 15.367 1.00 0.00 C ATOM 1285 CG LYS B 28 8.601 -3.168 15.050 1.00 0.00 C ATOM 1286 CD LYS B 28 9.190 -4.576 15.176 1.00 0.00 C ATOM 1287 CE LYS B 28 8.808 -5.177 16.530 1.00 0.00 C ATOM 1288 NZ LYS B 28 9.626 -6.395 16.777 1.00 0.00 N ATOM 0 H LYS B 28 4.878 -2.462 16.100 1.00 0.00 H new ATOM 0 HA LYS B 28 6.940 -1.092 14.800 1.00 0.00 H new ATOM 0 HB2 LYS B 28 6.942 -3.165 16.445 1.00 0.00 H new ATOM 0 HB3 LYS B 28 6.665 -4.143 15.018 1.00 0.00 H new ATOM 0 HG2 LYS B 28 8.761 -2.786 14.042 1.00 0.00 H new ATOM 0 HG3 LYS B 28 9.110 -2.488 15.733 1.00 0.00 H new ATOM 0 HD2 LYS B 28 8.820 -5.209 14.369 1.00 0.00 H new ATOM 0 HD3 LYS B 28 10.275 -4.537 15.078 1.00 0.00 H new ATOM 0 HE2 LYS B 28 8.972 -4.448 17.323 1.00 0.00 H new ATOM 0 HE3 LYS B 28 7.748 -5.429 16.543 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 9.368 -6.806 17.697 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 9.448 -7.091 16.025 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 10.634 -6.141 16.782 1.00 0.00 H new ATOM 1302 N VAL B 29 5.402 -3.226 12.789 1.00 0.00 N ATOM 1303 CA VAL B 29 5.334 -3.547 11.365 1.00 0.00 C ATOM 1304 C VAL B 29 5.088 -2.271 10.572 1.00 0.00 C ATOM 1305 O VAL B 29 5.855 -1.923 9.677 1.00 0.00 O ATOM 1306 CB VAL B 29 4.260 -4.612 11.095 1.00 0.00 C ATOM 1307 CG1 VAL B 29 2.872 -4.117 11.492 1.00 0.00 C ATOM 1308 CG2 VAL B 29 4.264 -5.021 9.614 1.00 0.00 C ATOM 0 H VAL B 29 4.747 -3.727 13.389 1.00 0.00 H new ATOM 0 HA VAL B 29 6.284 -3.972 11.041 1.00 0.00 H new ATOM 0 HB VAL B 29 4.501 -5.482 11.706 1.00 0.00 H new ATOM 0 HG11 VAL B 29 2.136 -4.895 11.288 1.00 0.00 H new ATOM 0 HG12 VAL B 29 2.861 -3.878 12.555 1.00 0.00 H new ATOM 0 HG13 VAL B 29 2.626 -3.225 10.917 1.00 0.00 H new ATOM 0 HG21 VAL B 29 3.497 -5.776 9.443 1.00 0.00 H new ATOM 0 HG22 VAL B 29 4.058 -4.148 8.995 1.00 0.00 H new ATOM 0 HG23 VAL B 29 5.240 -5.430 9.352 1.00 0.00 H new ATOM 1318 N PHE B 30 4.005 -1.597 10.894 1.00 0.00 N ATOM 1319 CA PHE B 30 3.659 -0.377 10.181 1.00 0.00 C ATOM 1320 C PHE B 30 4.866 0.572 10.203 1.00 0.00 C ATOM 1321 O PHE B 30 5.147 1.268 9.215 1.00 0.00 O ATOM 1322 CB PHE B 30 2.452 0.316 10.847 1.00 0.00 C ATOM 1323 CG PHE B 30 1.161 -0.491 10.722 1.00 0.00 C ATOM 1324 CD1 PHE B 30 0.712 -1.010 9.492 1.00 0.00 C ATOM 1325 CD2 PHE B 30 0.390 -0.707 11.886 1.00 0.00 C ATOM 1326 CE1 PHE B 30 -0.490 -1.737 9.424 1.00 0.00 C ATOM 1327 CE2 PHE B 30 -0.814 -1.430 11.817 1.00 0.00 C ATOM 1328 CZ PHE B 30 -1.247 -1.956 10.590 1.00 0.00 C ATOM 0 H PHE B 30 3.355 -1.864 11.633 1.00 0.00 H new ATOM 0 HA PHE B 30 3.394 -0.628 9.154 1.00 0.00 H new ATOM 0 HB2 PHE B 30 2.671 0.481 11.902 1.00 0.00 H new ATOM 0 HB3 PHE B 30 2.307 1.297 10.394 1.00 0.00 H new ATOM 0 HD1 PHE B 30 1.294 -0.849 8.596 1.00 0.00 H new ATOM 0 HD2 PHE B 30 0.727 -0.315 12.834 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -0.832 -2.127 8.477 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -1.405 -1.581 12.708 1.00 0.00 H new ATOM 0 HZ PHE B 30 -2.161 -2.529 10.541 1.00 0.00 H new ATOM 1338 N LYS B 31 5.556 0.607 11.356 1.00 0.00 N ATOM 1339 CA LYS B 31 6.726 1.472 11.555 1.00 0.00 C ATOM 1340 C LYS B 31 7.806 1.148 10.555 1.00 0.00 C ATOM 1341 O LYS B 31 8.727 1.930 10.327 1.00 0.00 O ATOM 1342 CB LYS B 31 7.317 1.244 12.961 1.00 0.00 C ATOM 1343 CG LYS B 31 8.115 2.488 13.422 1.00 0.00 C ATOM 1344 CD LYS B 31 7.215 3.367 14.303 1.00 0.00 C ATOM 1345 CE LYS B 31 7.771 4.788 14.371 1.00 0.00 C ATOM 1346 NZ LYS B 31 9.250 4.738 14.522 1.00 0.00 N ATOM 0 H LYS B 31 5.319 0.040 12.170 1.00 0.00 H new ATOM 0 HA LYS B 31 6.397 2.504 11.433 1.00 0.00 H new ATOM 0 HB2 LYS B 31 6.515 1.036 13.670 1.00 0.00 H new ATOM 0 HB3 LYS B 31 7.968 0.370 12.951 1.00 0.00 H new ATOM 0 HG2 LYS B 31 9.001 2.181 13.978 1.00 0.00 H new ATOM 0 HG3 LYS B 31 8.462 3.054 12.557 1.00 0.00 H new ATOM 0 HD2 LYS B 31 6.203 3.384 13.899 1.00 0.00 H new ATOM 0 HD3 LYS B 31 7.151 2.945 15.306 1.00 0.00 H new ATOM 0 HE2 LYS B 31 7.506 5.337 13.467 1.00 0.00 H new ATOM 0 HE3 LYS B 31 7.327 5.323 15.211 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 9.586 5.625 14.948 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 9.510 3.939 15.135 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 9.690 4.615 13.588 1.00 0.00 H new ATOM 1360 N GLN B 32 7.681 -0.020 9.971 1.00 0.00 N ATOM 1361 CA GLN B 32 8.662 -0.451 9.003 1.00 0.00 C ATOM 1362 C GLN B 32 8.336 0.094 7.621 1.00 0.00 C ATOM 1363 O GLN B 32 9.229 0.510 6.890 1.00 0.00 O ATOM 1364 CB GLN B 32 8.729 -1.989 8.971 1.00 0.00 C ATOM 1365 CG GLN B 32 10.212 -2.482 8.864 1.00 0.00 C ATOM 1366 CD GLN B 32 10.702 -3.161 10.159 1.00 0.00 C ATOM 1367 OE1 GLN B 32 9.895 -3.251 11.194 1.00 0.00 O flip ATOM 1368 NE2 GLN B 32 11.516 -4.044 9.920 1.00 0.00 N flip ATOM 0 H GLN B 32 6.923 -0.680 10.145 1.00 0.00 H new ATOM 0 HA GLN B 32 9.635 -0.060 9.300 1.00 0.00 H new ATOM 0 HB2 GLN B 32 8.271 -2.396 9.872 1.00 0.00 H new ATOM 0 HB3 GLN B 32 8.155 -2.364 8.124 1.00 0.00 H new ATOM 0 HG2 GLN B 32 10.300 -3.183 8.034 1.00 0.00 H new ATOM 0 HG3 GLN B 32 10.858 -1.634 8.635 1.00 0.00 H new ATOM 0 HE21 GLN B 32 12.136 -3.962 9.114 1.00 0.00 H new ATOM 0 HE22 GLN B 32 11.574 -4.862 10.527 1.00 0.00 H new ATOM 1377 N TYR B 33 7.066 0.039 7.242 1.00 0.00 N ATOM 1378 CA TYR B 33 6.686 0.475 5.908 1.00 0.00 C ATOM 1379 C TYR B 33 6.637 1.995 5.766 1.00 0.00 C ATOM 1380 O TYR B 33 7.277 2.545 4.877 1.00 0.00 O ATOM 1381 CB TYR B 33 5.281 -0.052 5.552 1.00 0.00 C ATOM 1382 CG TYR B 33 5.258 -1.565 5.380 1.00 0.00 C ATOM 1383 CD1 TYR B 33 5.643 -2.416 6.438 1.00 0.00 C ATOM 1384 CD2 TYR B 33 4.762 -2.139 4.188 1.00 0.00 C ATOM 1385 CE1 TYR B 33 5.566 -3.815 6.296 1.00 0.00 C ATOM 1386 CE2 TYR B 33 4.686 -3.538 4.049 1.00 0.00 C ATOM 1387 CZ TYR B 33 5.095 -4.377 5.100 1.00 0.00 C ATOM 1388 OH TYR B 33 5.024 -5.744 4.945 1.00 0.00 O ATOM 0 H TYR B 33 6.298 -0.295 7.825 1.00 0.00 H new ATOM 0 HA TYR B 33 7.452 0.078 5.241 1.00 0.00 H new ATOM 0 HB2 TYR B 33 4.579 0.233 6.336 1.00 0.00 H new ATOM 0 HB3 TYR B 33 4.940 0.421 4.631 1.00 0.00 H new ATOM 0 HD1 TYR B 33 6.000 -1.991 7.364 1.00 0.00 H new ATOM 0 HD2 TYR B 33 4.439 -1.501 3.379 1.00 0.00 H new ATOM 0 HE1 TYR B 33 5.870 -4.457 7.110 1.00 0.00 H new ATOM 0 HE2 TYR B 33 4.312 -3.968 3.132 1.00 0.00 H new ATOM 0 HH TYR B 33 4.674 -5.954 4.054 1.00 0.00 H new ATOM 1398 N PHE B 34 5.824 2.667 6.594 1.00 0.00 N ATOM 1399 CA PHE B 34 5.650 4.128 6.427 1.00 0.00 C ATOM 1400 C PHE B 34 6.622 5.010 7.205 1.00 0.00 C ATOM 1401 O PHE B 34 6.219 6.028 7.764 1.00 0.00 O ATOM 1402 CB PHE B 34 4.199 4.563 6.690 1.00 0.00 C ATOM 1403 CG PHE B 34 3.283 3.706 5.850 1.00 0.00 C ATOM 1404 CD1 PHE B 34 3.126 3.971 4.473 1.00 0.00 C ATOM 1405 CD2 PHE B 34 2.649 2.585 6.420 1.00 0.00 C ATOM 1406 CE1 PHE B 34 2.350 3.116 3.672 1.00 0.00 C ATOM 1407 CE2 PHE B 34 1.876 1.729 5.615 1.00 0.00 C ATOM 1408 CZ PHE B 34 1.727 1.994 4.243 1.00 0.00 C ATOM 0 H PHE B 34 5.293 2.249 7.358 1.00 0.00 H new ATOM 0 HA PHE B 34 5.900 4.294 5.379 1.00 0.00 H new ATOM 0 HB2 PHE B 34 3.956 4.454 7.747 1.00 0.00 H new ATOM 0 HB3 PHE B 34 4.068 5.616 6.440 1.00 0.00 H new ATOM 0 HD1 PHE B 34 3.604 4.834 4.033 1.00 0.00 H new ATOM 0 HD2 PHE B 34 2.756 2.383 7.475 1.00 0.00 H new ATOM 0 HE1 PHE B 34 2.233 3.321 2.618 1.00 0.00 H new ATOM 0 HE2 PHE B 34 1.396 0.866 6.052 1.00 0.00 H new ATOM 0 HZ PHE B 34 1.133 1.335 3.627 1.00 0.00 H new ATOM 1418 N ASN B 35 7.906 4.640 7.226 1.00 0.00 N ATOM 1419 CA ASN B 35 8.917 5.434 7.912 1.00 0.00 C ATOM 1420 C ASN B 35 9.797 6.149 6.891 1.00 0.00 C ATOM 1421 O ASN B 35 10.619 6.996 7.232 1.00 0.00 O ATOM 1422 CB ASN B 35 9.696 4.458 8.814 1.00 0.00 C ATOM 1423 CG ASN B 35 11.219 4.640 8.837 1.00 0.00 C ATOM 1424 OD1 ASN B 35 11.808 5.358 8.037 1.00 0.00 O ATOM 1425 ND2 ASN B 35 11.764 4.306 9.988 1.00 0.00 N ATOM 0 H ASN B 35 8.264 3.798 6.776 1.00 0.00 H new ATOM 0 HA ASN B 35 8.485 6.223 8.528 1.00 0.00 H new ATOM 0 HB2 ASN B 35 9.322 4.558 9.833 1.00 0.00 H new ATOM 0 HB3 ASN B 35 9.476 3.440 8.491 1.00 0.00 H new ATOM 0 HD21 ASN B 35 12.695 4.646 10.229 1.00 0.00 H new ATOM 0 HD22 ASN B 35 11.255 3.707 10.638 1.00 0.00 H new ATOM 1432 N ASP B 36 9.594 5.800 5.637 1.00 0.00 N ATOM 1433 CA ASP B 36 10.339 6.369 4.530 1.00 0.00 C ATOM 1434 C ASP B 36 9.334 6.408 3.360 1.00 0.00 C ATOM 1435 O ASP B 36 8.479 7.249 3.408 1.00 0.00 O ATOM 1436 CB ASP B 36 11.623 5.507 4.348 1.00 0.00 C ATOM 1437 CG ASP B 36 12.589 6.195 3.408 1.00 0.00 C ATOM 1438 OD1 ASP B 36 12.342 6.106 2.183 1.00 0.00 O ATOM 1439 OD2 ASP B 36 13.176 7.182 3.913 1.00 0.00 O ATOM 0 H ASP B 36 8.901 5.107 5.354 1.00 0.00 H new ATOM 0 HA ASP B 36 10.715 7.385 4.654 1.00 0.00 H new ATOM 0 HB2 ASP B 36 12.100 5.344 5.315 1.00 0.00 H new ATOM 0 HB3 ASP B 36 11.358 4.526 3.954 1.00 0.00 H new ATOM 1444 N ASN B 37 9.471 5.731 2.247 1.00 0.00 N ATOM 1445 CA ASN B 37 8.537 5.895 1.097 1.00 0.00 C ATOM 1446 C ASN B 37 8.189 7.348 0.840 1.00 0.00 C ATOM 1447 O ASN B 37 7.098 7.662 0.355 1.00 0.00 O ATOM 1448 CB ASN B 37 7.242 5.034 1.185 1.00 0.00 C ATOM 1449 CG ASN B 37 7.312 4.158 2.385 1.00 0.00 C ATOM 1450 OD1 ASN B 37 8.261 3.386 2.319 1.00 0.00 O ATOM 1451 ND2 ASN B 37 6.294 3.910 3.181 1.00 0.00 N ATOM 0 H ASN B 37 10.215 5.052 2.086 1.00 0.00 H new ATOM 0 HA ASN B 37 9.099 5.513 0.245 1.00 0.00 H new ATOM 0 HB2 ASN B 37 6.366 5.680 1.243 1.00 0.00 H new ATOM 0 HB3 ASN B 37 7.133 4.429 0.285 1.00 0.00 H new ATOM 0 HD21 ASN B 37 6.288 3.066 3.754 1.00 0.00 H new ATOM 0 HD22 ASN B 37 5.511 4.562 3.226 1.00 0.00 H new ATOM 1458 N GLY B 38 9.142 8.213 1.132 1.00 0.00 N ATOM 1459 CA GLY B 38 8.977 9.642 0.902 1.00 0.00 C ATOM 1460 C GLY B 38 7.836 10.220 1.733 1.00 0.00 C ATOM 1461 O GLY B 38 7.867 11.392 2.101 1.00 0.00 O ATOM 0 H GLY B 38 10.044 7.952 1.531 1.00 0.00 H new ATOM 0 HA2 GLY B 38 9.904 10.159 1.148 1.00 0.00 H new ATOM 0 HA3 GLY B 38 8.783 9.820 -0.156 1.00 0.00 H new ATOM 1465 N VAL B 39 6.832 9.408 2.020 1.00 0.00 N ATOM 1466 CA VAL B 39 5.707 9.874 2.799 1.00 0.00 C ATOM 1467 C VAL B 39 6.165 10.310 4.180 1.00 0.00 C ATOM 1468 O VAL B 39 5.811 11.401 4.622 1.00 0.00 O ATOM 1469 CB VAL B 39 4.679 8.737 2.915 1.00 0.00 C ATOM 1470 CG1 VAL B 39 3.648 9.031 4.031 1.00 0.00 C ATOM 1471 CG2 VAL B 39 3.959 8.574 1.564 1.00 0.00 C ATOM 0 H VAL B 39 6.776 8.433 1.727 1.00 0.00 H new ATOM 0 HA VAL B 39 5.252 10.732 2.305 1.00 0.00 H new ATOM 0 HB VAL B 39 5.200 7.815 3.174 1.00 0.00 H new ATOM 0 HG11 VAL B 39 2.933 8.211 4.091 1.00 0.00 H new ATOM 0 HG12 VAL B 39 4.164 9.133 4.986 1.00 0.00 H new ATOM 0 HG13 VAL B 39 3.120 9.957 3.804 1.00 0.00 H new ATOM 0 HG21 VAL B 39 3.227 7.769 1.636 1.00 0.00 H new ATOM 0 HG22 VAL B 39 3.451 9.504 1.308 1.00 0.00 H new ATOM 0 HG23 VAL B 39 4.688 8.333 0.790 1.00 0.00 H new ATOM 1481 N ASP B 40 6.953 9.438 4.850 1.00 0.00 N ATOM 1482 CA ASP B 40 7.462 9.709 6.207 1.00 0.00 C ATOM 1483 C ASP B 40 6.538 10.694 6.932 1.00 0.00 C ATOM 1484 O ASP B 40 6.983 11.626 7.613 1.00 0.00 O ATOM 1485 CB ASP B 40 8.898 10.234 6.151 1.00 0.00 C ATOM 1486 CG ASP B 40 8.976 11.696 5.711 1.00 0.00 C ATOM 1487 OD1 ASP B 40 7.933 12.358 5.486 1.00 0.00 O ATOM 1488 OD2 ASP B 40 10.122 12.192 5.570 1.00 0.00 O ATOM 0 H ASP B 40 7.249 8.539 4.468 1.00 0.00 H new ATOM 0 HA ASP B 40 7.473 8.776 6.770 1.00 0.00 H new ATOM 0 HB2 ASP B 40 9.357 10.130 7.134 1.00 0.00 H new ATOM 0 HB3 ASP B 40 9.478 9.620 5.462 1.00 0.00 H new ATOM 1493 N GLY B 41 5.242 10.501 6.701 1.00 0.00 N ATOM 1494 CA GLY B 41 4.198 11.373 7.232 1.00 0.00 C ATOM 1495 C GLY B 41 4.153 11.439 8.752 1.00 0.00 C ATOM 1496 O GLY B 41 5.022 10.907 9.448 1.00 0.00 O ATOM 0 H GLY B 41 4.884 9.730 6.137 1.00 0.00 H new ATOM 0 HA2 GLY B 41 4.347 12.379 6.840 1.00 0.00 H new ATOM 0 HA3 GLY B 41 3.231 11.028 6.866 1.00 0.00 H new ATOM 1500 N GLU B 42 3.111 12.111 9.250 1.00 0.00 N ATOM 1501 CA GLU B 42 2.918 12.271 10.686 1.00 0.00 C ATOM 1502 C GLU B 42 2.317 11.005 11.272 1.00 0.00 C ATOM 1503 O GLU B 42 1.328 10.473 10.758 1.00 0.00 O ATOM 1504 CB GLU B 42 1.996 13.484 10.971 1.00 0.00 C ATOM 1505 CG GLU B 42 2.546 14.313 12.146 1.00 0.00 C ATOM 1506 CD GLU B 42 3.727 15.144 11.649 1.00 0.00 C ATOM 1507 OE1 GLU B 42 4.193 14.852 10.524 1.00 0.00 O ATOM 1508 OE2 GLU B 42 4.158 16.089 12.345 1.00 0.00 O ATOM 0 H GLU B 42 2.391 12.551 8.677 1.00 0.00 H new ATOM 0 HA GLU B 42 3.885 12.452 11.154 1.00 0.00 H new ATOM 0 HB2 GLU B 42 1.921 14.109 10.081 1.00 0.00 H new ATOM 0 HB3 GLU B 42 0.989 13.137 11.203 1.00 0.00 H new ATOM 0 HG2 GLU B 42 1.768 14.963 12.546 1.00 0.00 H new ATOM 0 HG3 GLU B 42 2.861 13.656 12.957 1.00 0.00 H new ATOM 1515 N TRP B 43 2.944 10.520 12.325 1.00 0.00 N ATOM 1516 CA TRP B 43 2.492 9.294 12.968 1.00 0.00 C ATOM 1517 C TRP B 43 1.465 9.510 14.042 1.00 0.00 C ATOM 1518 O TRP B 43 1.549 10.426 14.856 1.00 0.00 O ATOM 1519 CB TRP B 43 3.691 8.477 13.487 1.00 0.00 C ATOM 1520 CG TRP B 43 3.992 7.519 12.447 1.00 0.00 C ATOM 1521 CD1 TRP B 43 4.296 7.849 11.171 1.00 0.00 C ATOM 1522 CD2 TRP B 43 3.963 6.056 12.479 1.00 0.00 C ATOM 1523 NE1 TRP B 43 4.435 6.706 10.411 1.00 0.00 N ATOM 1524 CE2 TRP B 43 4.225 5.571 11.160 1.00 0.00 C ATOM 1525 CE3 TRP B 43 3.733 5.086 13.482 1.00 0.00 C ATOM 1526 CZ2 TRP B 43 4.241 4.203 10.849 1.00 0.00 C ATOM 1527 CZ3 TRP B 43 3.750 3.710 13.181 1.00 0.00 C ATOM 1528 CH2 TRP B 43 3.995 3.270 11.869 1.00 0.00 C ATOM 0 H TRP B 43 3.763 10.950 12.754 1.00 0.00 H new ATOM 0 HA TRP B 43 1.981 8.718 12.196 1.00 0.00 H new ATOM 0 HB2 TRP B 43 4.547 9.122 13.685 1.00 0.00 H new ATOM 0 HB3 TRP B 43 3.447 7.975 14.423 1.00 0.00 H new ATOM 0 HD1 TRP B 43 4.413 8.857 10.802 1.00 0.00 H new ATOM 0 HE1 TRP B 43 4.665 6.703 9.417 1.00 0.00 H new ATOM 0 HE3 TRP B 43 3.541 5.405 14.496 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 4.440 3.873 9.840 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 3.573 2.988 13.964 1.00 0.00 H new ATOM 0 HH2 TRP B 43 3.994 2.213 11.645 1.00 0.00 H new ATOM 1539 N THR B 44 0.535 8.562 14.072 1.00 0.00 N ATOM 1540 CA THR B 44 -0.498 8.519 15.090 1.00 0.00 C ATOM 1541 C THR B 44 -0.803 7.045 15.373 1.00 0.00 C ATOM 1542 O THR B 44 -0.569 6.196 14.523 1.00 0.00 O ATOM 1543 CB THR B 44 -1.757 9.285 14.639 1.00 0.00 C ATOM 1544 OG1 THR B 44 -1.401 10.208 13.620 1.00 0.00 O ATOM 1545 CG2 THR B 44 -2.342 10.055 15.829 1.00 0.00 C ATOM 0 H THR B 44 0.479 7.805 13.391 1.00 0.00 H new ATOM 0 HA THR B 44 -0.156 9.010 16.001 1.00 0.00 H new ATOM 0 HB THR B 44 -2.496 8.579 14.261 1.00 0.00 H new ATOM 0 HG1 THR B 44 -1.168 9.719 12.803 1.00 0.00 H new ATOM 0 HG21 THR B 44 -3.232 10.597 15.510 1.00 0.00 H new ATOM 0 HG22 THR B 44 -2.608 9.354 16.621 1.00 0.00 H new ATOM 0 HG23 THR B 44 -1.602 10.762 16.204 1.00 0.00 H new ATOM 1553 N TYR B 45 -1.326 6.737 16.550 1.00 0.00 N ATOM 1554 CA TYR B 45 -1.644 5.345 16.876 1.00 0.00 C ATOM 1555 C TYR B 45 -2.819 5.281 17.835 1.00 0.00 C ATOM 1556 O TYR B 45 -2.911 6.067 18.774 1.00 0.00 O ATOM 1557 CB TYR B 45 -0.400 4.668 17.470 1.00 0.00 C ATOM 1558 CG TYR B 45 -0.723 3.328 18.122 1.00 0.00 C ATOM 1559 CD1 TYR B 45 -1.681 2.451 17.580 1.00 0.00 C ATOM 1560 CD2 TYR B 45 -0.038 2.960 19.297 1.00 0.00 C ATOM 1561 CE1 TYR B 45 -1.952 1.219 18.200 1.00 0.00 C ATOM 1562 CE2 TYR B 45 -0.307 1.723 19.915 1.00 0.00 C ATOM 1563 CZ TYR B 45 -1.266 0.855 19.369 1.00 0.00 C ATOM 1564 OH TYR B 45 -1.525 -0.368 19.955 1.00 0.00 O ATOM 0 H TYR B 45 -1.538 7.412 17.285 1.00 0.00 H new ATOM 0 HA TYR B 45 -1.932 4.813 15.970 1.00 0.00 H new ATOM 0 HB2 TYR B 45 0.339 4.517 16.683 1.00 0.00 H new ATOM 0 HB3 TYR B 45 0.052 5.329 18.209 1.00 0.00 H new ATOM 0 HD1 TYR B 45 -2.212 2.727 16.681 1.00 0.00 H new ATOM 0 HD2 TYR B 45 0.695 3.628 19.725 1.00 0.00 H new ATOM 0 HE1 TYR B 45 -2.688 0.552 17.777 1.00 0.00 H new ATOM 0 HE2 TYR B 45 0.226 1.442 20.811 1.00 0.00 H new ATOM 0 HH TYR B 45 -1.595 -0.257 20.926 1.00 0.00 H new ATOM 1574 N ASP B 46 -3.664 4.272 17.652 1.00 0.00 N ATOM 1575 CA ASP B 46 -4.779 4.009 18.550 1.00 0.00 C ATOM 1576 C ASP B 46 -4.710 2.528 18.940 1.00 0.00 C ATOM 1577 O ASP B 46 -4.679 1.657 18.069 1.00 0.00 O ATOM 1578 CB ASP B 46 -6.118 4.388 17.869 1.00 0.00 C ATOM 1579 CG ASP B 46 -7.033 3.172 17.751 1.00 0.00 C ATOM 1580 OD1 ASP B 46 -7.105 2.411 18.750 1.00 0.00 O ATOM 1581 OD2 ASP B 46 -7.652 2.936 16.685 1.00 0.00 O ATOM 0 H ASP B 46 -3.594 3.614 16.876 1.00 0.00 H new ATOM 0 HA ASP B 46 -4.719 4.617 19.452 1.00 0.00 H new ATOM 0 HB2 ASP B 46 -6.616 5.168 18.445 1.00 0.00 H new ATOM 0 HB3 ASP B 46 -5.923 4.799 16.878 1.00 0.00 H new ATOM 1586 N ASP B 47 -4.700 2.249 20.222 1.00 0.00 N ATOM 1587 CA ASP B 47 -4.642 0.874 20.677 1.00 0.00 C ATOM 1588 C ASP B 47 -6.026 0.206 20.723 1.00 0.00 C ATOM 1589 O ASP B 47 -6.251 -0.865 20.155 1.00 0.00 O ATOM 1590 CB ASP B 47 -4.079 0.903 22.089 1.00 0.00 C ATOM 1591 CG ASP B 47 -2.660 1.455 22.076 1.00 0.00 C ATOM 1592 OD1 ASP B 47 -2.495 2.696 22.097 1.00 0.00 O ATOM 1593 OD2 ASP B 47 -1.700 0.656 21.972 1.00 0.00 O ATOM 0 H ASP B 47 -4.731 2.947 20.965 1.00 0.00 H new ATOM 0 HA ASP B 47 -4.028 0.300 19.983 1.00 0.00 H new ATOM 0 HB2 ASP B 47 -4.711 1.519 22.728 1.00 0.00 H new ATOM 0 HB3 ASP B 47 -4.083 -0.102 22.511 1.00 0.00 H new ATOM 1598 N ALA B 48 -6.900 0.831 21.495 1.00 0.00 N ATOM 1599 CA ALA B 48 -8.267 0.332 21.790 1.00 0.00 C ATOM 1600 C ALA B 48 -9.310 0.591 20.714 1.00 0.00 C ATOM 1601 O ALA B 48 -10.469 0.211 20.873 1.00 0.00 O ATOM 1602 CB ALA B 48 -8.759 0.981 23.075 1.00 0.00 C ATOM 0 H ALA B 48 -6.691 1.719 21.952 1.00 0.00 H new ATOM 0 HA ALA B 48 -8.164 -0.751 21.861 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -9.763 0.622 23.303 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -8.087 0.723 23.893 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -8.780 2.064 22.951 1.00 0.00 H new ATOM 1608 N THR B 49 -8.913 1.209 19.632 1.00 0.00 N ATOM 1609 CA THR B 49 -9.840 1.492 18.535 1.00 0.00 C ATOM 1610 C THR B 49 -9.226 1.014 17.234 1.00 0.00 C ATOM 1611 O THR B 49 -9.696 1.346 16.147 1.00 0.00 O ATOM 1612 CB THR B 49 -10.227 2.993 18.485 1.00 0.00 C ATOM 1613 OG1 THR B 49 -9.688 3.604 17.328 1.00 0.00 O ATOM 1614 CG2 THR B 49 -9.722 3.726 19.735 1.00 0.00 C ATOM 0 H THR B 49 -7.958 1.531 19.474 1.00 0.00 H new ATOM 0 HA THR B 49 -10.771 0.950 18.701 1.00 0.00 H new ATOM 0 HB THR B 49 -11.314 3.059 18.452 1.00 0.00 H new ATOM 0 HG1 THR B 49 -9.182 2.941 16.814 1.00 0.00 H new ATOM 0 HG21 THR B 49 -10.004 4.777 19.679 1.00 0.00 H new ATOM 0 HG22 THR B 49 -10.166 3.278 20.624 1.00 0.00 H new ATOM 0 HG23 THR B 49 -8.637 3.644 19.791 1.00 0.00 H new ATOM 1622 N LYS B 50 -8.178 0.202 17.363 1.00 0.00 N ATOM 1623 CA LYS B 50 -7.500 -0.363 16.210 1.00 0.00 C ATOM 1624 C LYS B 50 -7.327 0.687 15.136 1.00 0.00 C ATOM 1625 O LYS B 50 -8.060 0.694 14.148 1.00 0.00 O ATOM 1626 CB LYS B 50 -8.334 -1.514 15.639 1.00 0.00 C ATOM 1627 CG LYS B 50 -8.736 -2.486 16.767 1.00 0.00 C ATOM 1628 CD LYS B 50 -9.908 -1.917 17.601 1.00 0.00 C ATOM 1629 CE LYS B 50 -10.825 -3.053 18.077 1.00 0.00 C ATOM 1630 NZ LYS B 50 -11.477 -3.695 16.897 1.00 0.00 N ATOM 0 H LYS B 50 -7.783 -0.077 18.261 1.00 0.00 H new ATOM 0 HA LYS B 50 -6.522 -0.725 16.525 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -9.226 -1.120 15.152 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -7.763 -2.045 14.877 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -9.023 -3.446 16.339 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -7.879 -2.670 17.416 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -9.520 -1.370 18.460 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -10.478 -1.207 17.002 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -10.248 -3.792 18.633 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -11.582 -2.663 18.757 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -12.422 -4.035 17.165 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -11.564 -3.000 16.128 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -10.899 -4.497 16.575 1.00 0.00 H new ATOM 1644 N THR B 51 -6.322 1.540 15.287 1.00 0.00 N ATOM 1645 CA THR B 51 -6.085 2.528 14.230 1.00 0.00 C ATOM 1646 C THR B 51 -4.678 3.110 14.201 1.00 0.00 C ATOM 1647 O THR B 51 -3.972 3.206 15.206 1.00 0.00 O ATOM 1648 CB THR B 51 -7.156 3.633 14.233 1.00 0.00 C ATOM 1649 OG1 THR B 51 -8.421 3.044 14.499 1.00 0.00 O ATOM 1650 CG2 THR B 51 -7.217 4.332 12.865 1.00 0.00 C ATOM 0 H THR B 51 -5.686 1.575 16.083 1.00 0.00 H new ATOM 0 HA THR B 51 -6.173 1.965 13.301 1.00 0.00 H new ATOM 0 HB THR B 51 -6.902 4.368 14.997 1.00 0.00 H new ATOM 0 HG1 THR B 51 -8.566 2.291 13.889 1.00 0.00 H new ATOM 0 HG21 THR B 51 -7.980 5.110 12.888 1.00 0.00 H new ATOM 0 HG22 THR B 51 -6.249 4.780 12.642 1.00 0.00 H new ATOM 0 HG23 THR B 51 -7.465 3.602 12.094 1.00 0.00 H new ATOM 1658 N PHE B 52 -4.358 3.574 13.004 1.00 0.00 N ATOM 1659 CA PHE B 52 -3.125 4.275 12.673 1.00 0.00 C ATOM 1660 C PHE B 52 -3.453 5.418 11.740 1.00 0.00 C ATOM 1661 O PHE B 52 -4.388 5.317 10.939 1.00 0.00 O ATOM 1662 CB PHE B 52 -2.049 3.374 12.049 1.00 0.00 C ATOM 1663 CG PHE B 52 -1.080 2.918 13.082 1.00 0.00 C ATOM 1664 CD1 PHE B 52 -0.010 3.767 13.420 1.00 0.00 C ATOM 1665 CD2 PHE B 52 -1.204 1.664 13.713 1.00 0.00 C ATOM 1666 CE1 PHE B 52 0.914 3.375 14.402 1.00 0.00 C ATOM 1667 CE2 PHE B 52 -0.275 1.268 14.691 1.00 0.00 C ATOM 1668 CZ PHE B 52 0.774 2.132 15.044 1.00 0.00 C ATOM 0 H PHE B 52 -4.977 3.468 12.200 1.00 0.00 H new ATOM 0 HA PHE B 52 -2.699 4.641 13.607 1.00 0.00 H new ATOM 0 HB2 PHE B 52 -2.519 2.511 11.578 1.00 0.00 H new ATOM 0 HB3 PHE B 52 -1.523 3.918 11.265 1.00 0.00 H new ATOM 0 HD1 PHE B 52 0.101 4.720 12.924 1.00 0.00 H new ATOM 0 HD2 PHE B 52 -2.016 1.005 13.444 1.00 0.00 H new ATOM 0 HE1 PHE B 52 1.733 4.029 14.664 1.00 0.00 H new ATOM 0 HE2 PHE B 52 -0.368 0.304 15.169 1.00 0.00 H new ATOM 0 HZ PHE B 52 1.476 1.841 15.811 1.00 0.00 H new ATOM 1678 N THR B 53 -2.647 6.468 11.789 1.00 0.00 N ATOM 1679 CA THR B 53 -2.854 7.593 10.880 1.00 0.00 C ATOM 1680 C THR B 53 -1.536 8.157 10.344 1.00 0.00 C ATOM 1681 O THR B 53 -0.769 8.808 11.054 1.00 0.00 O ATOM 1682 CB THR B 53 -3.657 8.693 11.592 1.00 0.00 C ATOM 1683 OG1 THR B 53 -4.570 8.093 12.502 1.00 0.00 O ATOM 1684 CG2 THR B 53 -4.440 9.517 10.561 1.00 0.00 C ATOM 0 H THR B 53 -1.861 6.568 12.431 1.00 0.00 H new ATOM 0 HA THR B 53 -3.415 7.226 10.021 1.00 0.00 H new ATOM 0 HB THR B 53 -2.971 9.347 12.131 1.00 0.00 H new ATOM 0 HG1 THR B 53 -5.083 8.792 12.959 1.00 0.00 H new ATOM 0 HG21 THR B 53 -5.007 10.295 11.072 1.00 0.00 H new ATOM 0 HG22 THR B 53 -3.745 9.977 9.859 1.00 0.00 H new ATOM 0 HG23 THR B 53 -5.125 8.865 10.019 1.00 0.00 H new ATOM 1692 N VAL B 54 -1.314 7.900 9.067 1.00 0.00 N ATOM 1693 CA VAL B 54 -0.116 8.385 8.377 1.00 0.00 C ATOM 1694 C VAL B 54 -0.467 9.709 7.701 1.00 0.00 C ATOM 1695 O VAL B 54 -1.501 9.801 7.036 1.00 0.00 O ATOM 1696 CB VAL B 54 0.365 7.353 7.348 1.00 0.00 C ATOM 1697 CG1 VAL B 54 1.535 7.916 6.537 1.00 0.00 C ATOM 1698 CG2 VAL B 54 0.827 6.088 8.071 1.00 0.00 C ATOM 0 H VAL B 54 -1.946 7.357 8.479 1.00 0.00 H new ATOM 0 HA VAL B 54 0.696 8.536 9.088 1.00 0.00 H new ATOM 0 HB VAL B 54 -0.460 7.120 6.675 1.00 0.00 H new ATOM 0 HG11 VAL B 54 1.866 7.173 5.811 1.00 0.00 H new ATOM 0 HG12 VAL B 54 1.215 8.817 6.014 1.00 0.00 H new ATOM 0 HG13 VAL B 54 2.359 8.160 7.208 1.00 0.00 H new ATOM 0 HG21 VAL B 54 1.169 5.355 7.340 1.00 0.00 H new ATOM 0 HG22 VAL B 54 1.645 6.334 8.748 1.00 0.00 H new ATOM 0 HG23 VAL B 54 -0.003 5.671 8.642 1.00 0.00 H new ATOM 1708 N THR B 55 0.414 10.712 7.832 1.00 0.00 N ATOM 1709 CA THR B 55 0.149 12.004 7.177 1.00 0.00 C ATOM 1710 C THR B 55 1.371 12.684 6.550 1.00 0.00 C ATOM 1711 O THR B 55 2.203 13.289 7.226 1.00 0.00 O ATOM 1712 CB THR B 55 -0.550 12.929 8.189 1.00 0.00 C ATOM 1713 OG1 THR B 55 -1.860 12.427 8.440 1.00 0.00 O ATOM 1714 CG2 THR B 55 -0.654 14.361 7.647 1.00 0.00 C ATOM 0 H THR B 55 1.283 10.661 8.363 1.00 0.00 H new ATOM 0 HA THR B 55 -0.496 11.798 6.323 1.00 0.00 H new ATOM 0 HB THR B 55 0.036 12.951 9.108 1.00 0.00 H new ATOM 0 HG1 THR B 55 -2.315 13.008 9.085 1.00 0.00 H new ATOM 0 HG21 THR B 55 -1.152 14.993 8.382 1.00 0.00 H new ATOM 0 HG22 THR B 55 0.345 14.750 7.452 1.00 0.00 H new ATOM 0 HG23 THR B 55 -1.230 14.359 6.721 1.00 0.00 H new ATOM 1722 N GLU B 56 1.435 12.547 5.230 1.00 0.00 N ATOM 1723 CA GLU B 56 2.531 13.123 4.450 1.00 0.00 C ATOM 1724 C GLU B 56 2.893 14.498 5.011 1.00 0.00 C ATOM 1725 O GLU B 56 4.053 14.713 5.299 1.00 0.00 O ATOM 1726 CB GLU B 56 2.143 13.247 2.976 1.00 0.00 C ATOM 1727 CG GLU B 56 3.390 13.535 2.130 1.00 0.00 C ATOM 1728 CD GLU B 56 3.944 14.919 2.450 1.00 0.00 C ATOM 1729 OE1 GLU B 56 3.148 15.824 2.782 1.00 0.00 O ATOM 1730 OE2 GLU B 56 5.183 15.086 2.403 1.00 0.00 O ATOM 1731 OXT GLU B 56 1.991 15.310 5.142 1.00 0.00 O ATOM 0 H GLU B 56 0.743 12.043 4.676 1.00 0.00 H new ATOM 0 HA GLU B 56 3.394 12.461 4.522 1.00 0.00 H new ATOM 0 HB2 GLU B 56 1.668 12.326 2.637 1.00 0.00 H new ATOM 0 HB3 GLU B 56 1.414 14.047 2.849 1.00 0.00 H new ATOM 0 HG2 GLU B 56 4.151 12.779 2.323 1.00 0.00 H new ATOM 0 HG3 GLU B 56 3.141 13.473 1.071 1.00 0.00 H new