USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 843 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 88 SER OG : rot 170:sc= 0 USER MOD Set 1.2: A 90 MET CE :methyl -159:sc= 0 (180deg=-0.0622) USER MOD Set 2.1: A 62 THR OG1 : rot 67:sc= 0.98 USER MOD Set 2.2: A 65 LYS NZ :NH3+ -167:sc= -5.38! (180deg=-5.84!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc=0.000364 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 59:sc= 1.26 USER MOD Single : A 8 MET CE :methyl -110:sc= -0.078 (180deg=-1.67!) USER MOD Single : A 13 ASN : amide:sc= -0.0135 K(o=-0.013,f=-1) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 37:sc= 0.81 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.102 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot 130:sc= -1.4 USER MOD Single : A 32 SER OG : rot -22:sc= 0.412 USER MOD Single : A 33 SER OG : rot 180:sc= 0.138 USER MOD Single : A 36 GLN : amide:sc= -0.852! C(o=-0.85!,f=-1.6!) USER MOD Single : A 42 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0195) USER MOD Single : A 48 CYS SG : rot -93:sc= -1.13 USER MOD Single : A 49 HIS : no HD1:sc= -2.31! C(o=-2.3!,f=-2.7!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -0.111 X(o=-0.11,f=-0.0027) USER MOD Single : A 56 ASN : amide:sc= -8.91! C(o=-8.9!,f=-9.4!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= -1.17 K(o=-1.2,f=-3.2!) USER MOD Single : A 68 LYS NZ :NH3+ -154:sc= -0.105 (180deg=-0.552) USER MOD Single : A 70 LYS NZ :NH3+ 172:sc= 1.15 (180deg=1.1) USER MOD Single : A 74 THR OG1 : rot -102:sc= -0.154 USER MOD Single : A 75 ASN : amide:sc= -4.01! K(o=-4!,f=-0.86) USER MOD Single : A 78 SER OG : rot 160:sc= -0.307 USER MOD Single : A 82 TYR OH : rot 180:sc= -0.102 USER MOD Single : A 84 HIS : no HD1:sc= -0.0242 X(o=-0.024,f=0) USER MOD Single : A 89 GLN : amide:sc= -0.093 X(o=-0.093,f=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl 152:sc= -1.26 (180deg=-1.79!) USER MOD Single : A 95 GLN : amide:sc= -0.0763 X(o=-0.076,f=0) USER MOD Single : A 96 GLN : amide:sc= -2.41 K(o=-2.4,f=-3.8!) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 103 SER OG : rot 53:sc= 0.0531 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 54:sc= 0.349 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot -76:sc= 0.0967 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.616 -30.903 -50.972 1.00 0.00 N ATOM 2 CA GLY A 1 -17.331 -29.683 -51.703 1.00 0.00 C ATOM 3 C GLY A 1 -16.109 -28.961 -51.171 1.00 0.00 C ATOM 4 O GLY A 1 -14.981 -29.264 -51.562 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.460 -31.359 -51.374 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.805 -31.549 -51.046 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.788 -30.676 -49.972 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.179 -29.921 -52.756 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.194 -29.020 -51.647 1.00 0.00 H new ATOM 8 N SER A 2 -16.331 -28.001 -50.279 1.00 0.00 N ATOM 9 CA SER A 2 -15.239 -27.229 -49.697 1.00 0.00 C ATOM 10 C SER A 2 -15.734 -26.386 -48.526 1.00 0.00 C ATOM 11 O SER A 2 -16.936 -26.292 -48.278 1.00 0.00 O ATOM 12 CB SER A 2 -14.603 -26.328 -50.757 1.00 0.00 C ATOM 13 OG SER A 2 -13.266 -26.005 -50.414 1.00 0.00 O ATOM 0 H SER A 2 -17.258 -27.739 -49.943 1.00 0.00 H new ATOM 0 HA SER A 2 -14.489 -27.928 -49.327 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.623 -26.829 -51.725 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.187 -25.413 -50.860 1.00 0.00 H new ATOM 0 HG SER A 2 -12.880 -25.430 -51.107 1.00 0.00 H new ATOM 19 N SER A 3 -14.797 -25.773 -47.809 1.00 0.00 N ATOM 20 CA SER A 3 -15.136 -24.940 -46.661 1.00 0.00 C ATOM 21 C SER A 3 -14.252 -23.697 -46.612 1.00 0.00 C ATOM 22 O SER A 3 -13.340 -23.539 -47.422 1.00 0.00 O ATOM 23 CB SER A 3 -14.987 -25.737 -45.364 1.00 0.00 C ATOM 24 OG SER A 3 -15.696 -25.121 -44.303 1.00 0.00 O ATOM 0 H SER A 3 -13.798 -25.838 -48.003 1.00 0.00 H new ATOM 0 HA SER A 3 -16.173 -24.623 -46.767 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.357 -26.751 -45.512 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.932 -25.818 -45.102 1.00 0.00 H new ATOM 0 HG SER A 3 -15.586 -25.650 -43.486 1.00 0.00 H new ATOM 30 N GLY A 4 -14.531 -22.818 -45.655 1.00 0.00 N ATOM 31 CA GLY A 4 -13.754 -21.600 -45.517 1.00 0.00 C ATOM 32 C GLY A 4 -13.135 -21.460 -44.140 1.00 0.00 C ATOM 33 O GLY A 4 -12.991 -22.444 -43.414 1.00 0.00 O ATOM 0 H GLY A 4 -15.281 -22.927 -44.973 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.965 -21.589 -46.269 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.394 -20.740 -45.713 1.00 0.00 H new ATOM 37 N SER A 5 -12.766 -20.235 -43.781 1.00 0.00 N ATOM 38 CA SER A 5 -12.153 -19.971 -42.484 1.00 0.00 C ATOM 39 C SER A 5 -11.944 -18.474 -42.277 1.00 0.00 C ATOM 40 O SER A 5 -11.767 -17.722 -43.236 1.00 0.00 O ATOM 41 CB SER A 5 -10.816 -20.705 -42.369 1.00 0.00 C ATOM 42 OG SER A 5 -10.257 -20.546 -41.077 1.00 0.00 O ATOM 0 H SER A 5 -12.881 -19.410 -44.369 1.00 0.00 H new ATOM 0 HA SER A 5 -12.827 -20.337 -41.710 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.960 -21.765 -42.578 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.122 -20.324 -43.118 1.00 0.00 H new ATOM 0 HG SER A 5 -9.404 -21.026 -41.028 1.00 0.00 H new ATOM 48 N SER A 6 -11.965 -18.048 -41.018 1.00 0.00 N ATOM 49 CA SER A 6 -11.781 -16.641 -40.684 1.00 0.00 C ATOM 50 C SER A 6 -11.628 -16.455 -39.178 1.00 0.00 C ATOM 51 O SER A 6 -12.110 -17.267 -38.389 1.00 0.00 O ATOM 52 CB SER A 6 -12.965 -15.815 -41.193 1.00 0.00 C ATOM 53 OG SER A 6 -12.768 -15.418 -42.539 1.00 0.00 O ATOM 0 H SER A 6 -12.108 -18.657 -40.213 1.00 0.00 H new ATOM 0 HA SER A 6 -10.869 -16.295 -41.170 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.881 -16.400 -41.113 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.094 -14.933 -40.565 1.00 0.00 H new ATOM 0 HG SER A 6 -12.652 -16.213 -43.101 1.00 0.00 H new ATOM 59 N GLY A 7 -10.952 -15.380 -38.785 1.00 0.00 N ATOM 60 CA GLY A 7 -10.746 -15.106 -37.375 1.00 0.00 C ATOM 61 C GLY A 7 -10.135 -13.740 -37.133 1.00 0.00 C ATOM 62 O GLY A 7 -9.935 -12.968 -38.069 1.00 0.00 O ATOM 0 H GLY A 7 -10.543 -14.693 -39.419 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.700 -15.172 -36.852 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.097 -15.872 -36.950 1.00 0.00 H new ATOM 66 N MET A 8 -9.839 -13.442 -35.872 1.00 0.00 N ATOM 67 CA MET A 8 -9.247 -12.159 -35.509 1.00 0.00 C ATOM 68 C MET A 8 -7.835 -12.034 -36.073 1.00 0.00 C ATOM 69 O MET A 8 -6.971 -12.866 -35.798 1.00 0.00 O ATOM 70 CB MET A 8 -9.218 -11.998 -33.988 1.00 0.00 C ATOM 71 CG MET A 8 -8.347 -13.027 -33.285 1.00 0.00 C ATOM 72 SD MET A 8 -8.482 -12.939 -31.489 1.00 0.00 S ATOM 73 CE MET A 8 -7.058 -11.927 -31.092 1.00 0.00 C ATOM 0 H MET A 8 -9.999 -14.071 -35.085 1.00 0.00 H new ATOM 0 HA MET A 8 -9.862 -11.368 -35.938 1.00 0.00 H new ATOM 0 HB2 MET A 8 -8.856 -10.999 -33.743 1.00 0.00 H new ATOM 0 HB3 MET A 8 -10.235 -12.071 -33.603 1.00 0.00 H new ATOM 0 HG2 MET A 8 -8.630 -14.025 -33.618 1.00 0.00 H new ATOM 0 HG3 MET A 8 -7.307 -12.877 -33.575 1.00 0.00 H new ATOM 0 HE1 MET A 8 -6.307 -12.537 -30.590 1.00 0.00 H new ATOM 0 HE2 MET A 8 -6.637 -11.515 -32.009 1.00 0.00 H new ATOM 0 HE3 MET A 8 -7.362 -11.113 -30.435 1.00 0.00 H new ATOM 83 N ASP A 9 -7.608 -10.989 -36.861 1.00 0.00 N ATOM 84 CA ASP A 9 -6.300 -10.754 -37.462 1.00 0.00 C ATOM 85 C ASP A 9 -5.878 -9.298 -37.293 1.00 0.00 C ATOM 86 O ASP A 9 -6.713 -8.394 -37.307 1.00 0.00 O ATOM 87 CB ASP A 9 -6.324 -11.123 -38.946 1.00 0.00 C ATOM 88 CG ASP A 9 -4.974 -11.597 -39.447 1.00 0.00 C ATOM 89 OD1 ASP A 9 -4.437 -12.569 -38.874 1.00 0.00 O ATOM 90 OD2 ASP A 9 -4.455 -10.998 -40.411 1.00 0.00 O ATOM 0 H ASP A 9 -8.313 -10.291 -37.099 1.00 0.00 H new ATOM 0 HA ASP A 9 -5.573 -11.385 -36.951 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.065 -11.906 -39.111 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.640 -10.257 -39.528 1.00 0.00 H new ATOM 95 N ALA A 10 -4.577 -9.079 -37.134 1.00 0.00 N ATOM 96 CA ALA A 10 -4.044 -7.733 -36.963 1.00 0.00 C ATOM 97 C ALA A 10 -4.464 -7.142 -35.622 1.00 0.00 C ATOM 98 O ALA A 10 -4.748 -5.948 -35.520 1.00 0.00 O ATOM 99 CB ALA A 10 -4.502 -6.836 -38.104 1.00 0.00 C ATOM 0 H ALA A 10 -3.873 -9.817 -37.120 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.956 -7.795 -36.978 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.097 -5.834 -37.964 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.147 -7.242 -39.051 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.591 -6.789 -38.115 1.00 0.00 H new ATOM 105 N ILE A 11 -4.501 -7.985 -34.595 1.00 0.00 N ATOM 106 CA ILE A 11 -4.886 -7.545 -33.260 1.00 0.00 C ATOM 107 C ILE A 11 -3.661 -7.187 -32.425 1.00 0.00 C ATOM 108 O ILE A 11 -2.783 -8.021 -32.201 1.00 0.00 O ATOM 109 CB ILE A 11 -5.697 -8.627 -32.523 1.00 0.00 C ATOM 110 CG1 ILE A 11 -6.912 -9.041 -33.356 1.00 0.00 C ATOM 111 CG2 ILE A 11 -6.134 -8.122 -31.155 1.00 0.00 C ATOM 112 CD1 ILE A 11 -7.552 -7.892 -34.103 1.00 0.00 C ATOM 0 H ILE A 11 -4.269 -8.976 -34.662 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.508 -6.659 -33.387 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.062 -9.502 -32.381 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.608 -9.805 -34.072 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -7.654 -9.496 -32.700 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.706 -8.898 -30.646 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.255 -7.872 -30.562 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.755 -7.234 -31.276 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.406 -8.259 -34.672 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.887 -7.137 -33.392 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -6.825 -7.451 -34.785 1.00 0.00 H new ATOM 124 N LEU A 12 -3.610 -5.942 -31.964 1.00 0.00 N ATOM 125 CA LEU A 12 -2.493 -5.473 -31.151 1.00 0.00 C ATOM 126 C LEU A 12 -2.959 -5.105 -29.746 1.00 0.00 C ATOM 127 O LEU A 12 -2.354 -5.510 -28.755 1.00 0.00 O ATOM 128 CB LEU A 12 -1.827 -4.265 -31.812 1.00 0.00 C ATOM 129 CG LEU A 12 -1.134 -3.281 -30.869 1.00 0.00 C ATOM 130 CD1 LEU A 12 0.065 -3.936 -30.202 1.00 0.00 C ATOM 131 CD2 LEU A 12 -0.709 -2.029 -31.623 1.00 0.00 C ATOM 0 H LEU A 12 -4.329 -5.240 -32.139 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.768 -6.283 -31.073 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.092 -4.628 -32.530 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.584 -3.723 -32.378 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.842 -2.991 -30.093 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.546 -3.221 -29.535 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.266 -4.802 -29.629 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.776 -4.255 -30.964 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.218 -1.340 -30.936 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.017 -2.302 -32.420 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.587 -1.548 -32.053 1.00 0.00 H new ATOM 143 N ASN A 13 -4.041 -4.336 -29.669 1.00 0.00 N ATOM 144 CA ASN A 13 -4.589 -3.915 -28.386 1.00 0.00 C ATOM 145 C ASN A 13 -3.576 -3.082 -27.608 1.00 0.00 C ATOM 146 O ASN A 13 -3.325 -3.332 -26.428 1.00 0.00 O ATOM 147 CB ASN A 13 -5.005 -5.134 -27.560 1.00 0.00 C ATOM 148 CG ASN A 13 -6.432 -5.563 -27.841 1.00 0.00 C ATOM 149 OD1 ASN A 13 -7.031 -5.153 -28.835 1.00 0.00 O ATOM 150 ND2 ASN A 13 -6.984 -6.393 -26.962 1.00 0.00 N ATOM 0 H ASN A 13 -4.555 -3.992 -30.480 1.00 0.00 H new ATOM 0 HA ASN A 13 -5.467 -3.299 -28.580 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.330 -5.963 -27.775 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.900 -4.904 -26.500 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -7.942 -6.716 -27.097 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -6.450 -6.707 -26.152 1.00 0.00 H new ATOM 157 N TYR A 14 -2.996 -2.090 -28.275 1.00 0.00 N ATOM 158 CA TYR A 14 -2.008 -1.221 -27.648 1.00 0.00 C ATOM 159 C TYR A 14 -2.686 -0.154 -26.793 1.00 0.00 C ATOM 160 O TYR A 14 -2.024 0.711 -26.220 1.00 0.00 O ATOM 161 CB TYR A 14 -1.132 -0.558 -28.712 1.00 0.00 C ATOM 162 CG TYR A 14 -0.360 0.638 -28.202 1.00 0.00 C ATOM 163 CD1 TYR A 14 -0.932 1.904 -28.187 1.00 0.00 C ATOM 164 CD2 TYR A 14 0.941 0.501 -27.733 1.00 0.00 C ATOM 165 CE1 TYR A 14 -0.230 3.000 -27.722 1.00 0.00 C ATOM 166 CE2 TYR A 14 1.650 1.591 -27.265 1.00 0.00 C ATOM 167 CZ TYR A 14 1.060 2.838 -27.262 1.00 0.00 C ATOM 168 OH TYR A 14 1.762 3.926 -26.797 1.00 0.00 O ATOM 0 H TYR A 14 -3.194 -1.868 -29.251 1.00 0.00 H new ATOM 0 HA TYR A 14 -1.380 -1.834 -27.001 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.429 -1.294 -29.102 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -1.761 -0.245 -29.545 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -1.943 2.034 -28.545 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.406 -0.474 -27.734 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -0.689 3.978 -27.719 1.00 0.00 H new ATOM 0 HE2 TYR A 14 2.660 1.467 -26.904 1.00 0.00 H new ATOM 0 HH TYR A 14 2.654 3.641 -26.509 1.00 0.00 H new ATOM 178 N ARG A 15 -4.011 -0.223 -26.714 1.00 0.00 N ATOM 179 CA ARG A 15 -4.780 0.737 -25.930 1.00 0.00 C ATOM 180 C ARG A 15 -4.558 0.521 -24.436 1.00 0.00 C ATOM 181 O ARG A 15 -5.028 -0.463 -23.865 1.00 0.00 O ATOM 182 CB ARG A 15 -6.269 0.618 -26.259 1.00 0.00 C ATOM 183 CG ARG A 15 -6.655 1.262 -27.581 1.00 0.00 C ATOM 184 CD ARG A 15 -8.144 1.561 -27.641 1.00 0.00 C ATOM 185 NE ARG A 15 -8.560 2.008 -28.968 1.00 0.00 N ATOM 186 CZ ARG A 15 -8.811 1.181 -29.976 1.00 0.00 C ATOM 187 NH1 ARG A 15 -8.690 -0.128 -29.810 1.00 0.00 N ATOM 188 NH2 ARG A 15 -9.184 1.665 -31.155 1.00 0.00 N ATOM 0 H ARG A 15 -4.574 -0.933 -27.183 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.437 1.739 -26.189 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.543 -0.437 -26.285 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -6.847 1.078 -25.458 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -6.092 2.185 -27.715 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -6.382 0.600 -28.403 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -8.704 0.667 -27.368 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -8.389 2.328 -26.907 1.00 0.00 H new ATOM 0 HE ARG A 15 -8.663 3.010 -29.129 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -8.403 -0.503 -28.906 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -8.884 -0.761 -30.586 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -9.278 2.672 -31.286 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -9.377 1.030 -31.929 1.00 0.00 H new ATOM 202 N SER A 16 -3.840 1.447 -23.810 1.00 0.00 N ATOM 203 CA SER A 16 -3.552 1.356 -22.383 1.00 0.00 C ATOM 204 C SER A 16 -3.076 2.699 -21.838 1.00 0.00 C ATOM 205 O SER A 16 -2.433 3.474 -22.544 1.00 0.00 O ATOM 206 CB SER A 16 -2.493 0.283 -22.122 1.00 0.00 C ATOM 207 OG SER A 16 -3.093 -0.982 -21.903 1.00 0.00 O ATOM 0 H SER A 16 -3.447 2.269 -24.268 1.00 0.00 H new ATOM 0 HA SER A 16 -4.473 1.080 -21.869 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.813 0.224 -22.972 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.895 0.561 -21.254 1.00 0.00 H new ATOM 0 HG SER A 16 -3.872 -1.080 -22.489 1.00 0.00 H new ATOM 213 N GLU A 17 -3.398 2.966 -20.576 1.00 0.00 N ATOM 214 CA GLU A 17 -3.004 4.215 -19.936 1.00 0.00 C ATOM 215 C GLU A 17 -2.611 3.981 -18.480 1.00 0.00 C ATOM 216 O GLU A 17 -2.654 2.853 -17.988 1.00 0.00 O ATOM 217 CB GLU A 17 -4.144 5.233 -20.010 1.00 0.00 C ATOM 218 CG GLU A 17 -4.382 5.779 -21.408 1.00 0.00 C ATOM 219 CD GLU A 17 -3.192 6.550 -21.944 1.00 0.00 C ATOM 220 OE1 GLU A 17 -2.787 7.540 -21.300 1.00 0.00 O ATOM 221 OE2 GLU A 17 -2.665 6.163 -23.008 1.00 0.00 O ATOM 0 H GLU A 17 -3.930 2.334 -19.977 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.139 4.609 -20.469 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.061 4.766 -19.650 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.924 6.062 -19.338 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.609 4.953 -22.083 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.256 6.430 -21.396 1.00 0.00 H new ATOM 228 N ASP A 18 -2.228 5.054 -17.796 1.00 0.00 N ATOM 229 CA ASP A 18 -1.828 4.966 -16.397 1.00 0.00 C ATOM 230 C ASP A 18 -2.844 5.661 -15.496 1.00 0.00 C ATOM 231 O ASP A 18 -3.466 6.648 -15.890 1.00 0.00 O ATOM 232 CB ASP A 18 -0.444 5.588 -16.200 1.00 0.00 C ATOM 233 CG ASP A 18 -0.325 6.951 -16.851 1.00 0.00 C ATOM 234 OD1 ASP A 18 -1.077 7.866 -16.456 1.00 0.00 O ATOM 235 OD2 ASP A 18 0.521 7.104 -17.757 1.00 0.00 O ATOM 0 H ASP A 18 -2.186 5.995 -18.188 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.787 3.912 -16.122 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -0.238 5.679 -15.133 1.00 0.00 H new ATOM 0 HB3 ASP A 18 0.313 4.923 -16.616 1.00 0.00 H new ATOM 240 N THR A 19 -3.010 5.138 -14.285 1.00 0.00 N ATOM 241 CA THR A 19 -3.952 5.707 -13.330 1.00 0.00 C ATOM 242 C THR A 19 -3.552 5.371 -11.897 1.00 0.00 C ATOM 243 O THR A 19 -2.798 4.429 -11.659 1.00 0.00 O ATOM 244 CB THR A 19 -5.384 5.200 -13.583 1.00 0.00 C ATOM 245 OG1 THR A 19 -6.290 5.808 -12.656 1.00 0.00 O ATOM 246 CG2 THR A 19 -5.454 3.686 -13.449 1.00 0.00 C ATOM 0 H THR A 19 -2.504 4.321 -13.943 1.00 0.00 H new ATOM 0 HA THR A 19 -3.928 6.788 -13.468 1.00 0.00 H new ATOM 0 HB THR A 19 -5.668 5.472 -14.600 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.199 5.482 -12.825 1.00 0.00 H new ATOM 0 HG21 THR A 19 -6.475 3.351 -13.632 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.785 3.225 -14.176 1.00 0.00 H new ATOM 0 HG23 THR A 19 -5.152 3.395 -12.443 1.00 0.00 H new ATOM 254 N GLU A 20 -4.064 6.148 -10.947 1.00 0.00 N ATOM 255 CA GLU A 20 -3.759 5.931 -9.538 1.00 0.00 C ATOM 256 C GLU A 20 -4.982 5.407 -8.791 1.00 0.00 C ATOM 257 O GLU A 20 -5.852 6.178 -8.384 1.00 0.00 O ATOM 258 CB GLU A 20 -3.272 7.231 -8.893 1.00 0.00 C ATOM 259 CG GLU A 20 -2.088 7.859 -9.609 1.00 0.00 C ATOM 260 CD GLU A 20 -1.789 9.263 -9.120 1.00 0.00 C ATOM 261 OE1 GLU A 20 -1.031 9.401 -8.137 1.00 0.00 O ATOM 262 OE2 GLU A 20 -2.313 10.224 -9.721 1.00 0.00 O ATOM 0 H GLU A 20 -4.691 6.932 -11.128 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.968 5.183 -9.475 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -4.094 7.946 -8.872 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.996 7.032 -7.858 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.207 7.233 -9.465 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.288 7.886 -10.680 1.00 0.00 H new ATOM 269 N ASP A 21 -5.041 4.092 -8.615 1.00 0.00 N ATOM 270 CA ASP A 21 -6.156 3.463 -7.917 1.00 0.00 C ATOM 271 C ASP A 21 -5.658 2.404 -6.939 1.00 0.00 C ATOM 272 O ASP A 21 -4.684 1.701 -7.213 1.00 0.00 O ATOM 273 CB ASP A 21 -7.124 2.834 -8.920 1.00 0.00 C ATOM 274 CG ASP A 21 -8.203 3.801 -9.369 1.00 0.00 C ATOM 275 OD1 ASP A 21 -8.663 4.607 -8.533 1.00 0.00 O ATOM 276 OD2 ASP A 21 -8.586 3.752 -10.556 1.00 0.00 O ATOM 0 H ASP A 21 -4.329 3.440 -8.946 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.680 4.234 -7.353 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.566 2.487 -9.790 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.590 1.958 -8.470 1.00 0.00 H new ATOM 281 N TYR A 22 -6.331 2.295 -5.799 1.00 0.00 N ATOM 282 CA TYR A 22 -5.954 1.323 -4.779 1.00 0.00 C ATOM 283 C TYR A 22 -5.993 -0.096 -5.337 1.00 0.00 C ATOM 284 O TYR A 22 -5.212 -0.957 -4.931 1.00 0.00 O ATOM 285 CB TYR A 22 -6.886 1.434 -3.571 1.00 0.00 C ATOM 286 CG TYR A 22 -6.557 2.592 -2.657 1.00 0.00 C ATOM 287 CD1 TYR A 22 -6.798 3.903 -3.049 1.00 0.00 C ATOM 288 CD2 TYR A 22 -6.007 2.376 -1.399 1.00 0.00 C ATOM 289 CE1 TYR A 22 -6.499 4.964 -2.217 1.00 0.00 C ATOM 290 CE2 TYR A 22 -5.705 3.431 -0.560 1.00 0.00 C ATOM 291 CZ TYR A 22 -5.953 4.723 -0.974 1.00 0.00 C ATOM 292 OH TYR A 22 -5.654 5.778 -0.142 1.00 0.00 O ATOM 0 H TYR A 22 -7.140 2.867 -5.558 1.00 0.00 H new ATOM 0 HA TYR A 22 -4.934 1.542 -4.464 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -7.912 1.540 -3.923 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -6.839 0.507 -3.000 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -7.227 4.096 -4.021 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -5.812 1.365 -1.072 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -6.692 5.977 -2.538 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.277 3.245 0.414 1.00 0.00 H new ATOM 0 HH TYR A 22 -5.277 5.437 0.696 1.00 0.00 H new ATOM 302 N TYR A 23 -6.906 -0.332 -6.272 1.00 0.00 N ATOM 303 CA TYR A 23 -7.050 -1.646 -6.887 1.00 0.00 C ATOM 304 C TYR A 23 -5.873 -1.947 -7.810 1.00 0.00 C ATOM 305 O TYR A 23 -5.506 -3.105 -8.012 1.00 0.00 O ATOM 306 CB TYR A 23 -8.361 -1.726 -7.670 1.00 0.00 C ATOM 307 CG TYR A 23 -9.570 -1.994 -6.802 1.00 0.00 C ATOM 308 CD1 TYR A 23 -9.840 -3.272 -6.329 1.00 0.00 C ATOM 309 CD2 TYR A 23 -10.441 -0.969 -6.454 1.00 0.00 C ATOM 310 CE1 TYR A 23 -10.944 -3.522 -5.536 1.00 0.00 C ATOM 311 CE2 TYR A 23 -11.546 -1.209 -5.661 1.00 0.00 C ATOM 312 CZ TYR A 23 -11.793 -2.487 -5.204 1.00 0.00 C ATOM 313 OH TYR A 23 -12.893 -2.731 -4.415 1.00 0.00 O ATOM 0 H TYR A 23 -7.558 0.370 -6.621 1.00 0.00 H new ATOM 0 HA TYR A 23 -7.065 -2.391 -6.092 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.511 -0.790 -8.208 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -8.280 -2.514 -8.419 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -9.176 -4.084 -6.585 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -10.251 0.033 -6.810 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.141 -4.522 -5.178 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -12.213 -0.401 -5.400 1.00 0.00 H new ATOM 0 HH TYR A 23 -13.386 -1.896 -4.274 1.00 0.00 H new ATOM 323 N THR A 24 -5.284 -0.894 -8.370 1.00 0.00 N ATOM 324 CA THR A 24 -4.150 -1.044 -9.273 1.00 0.00 C ATOM 325 C THR A 24 -2.889 -1.435 -8.511 1.00 0.00 C ATOM 326 O THR A 24 -2.195 -2.382 -8.883 1.00 0.00 O ATOM 327 CB THR A 24 -3.881 0.255 -10.056 1.00 0.00 C ATOM 328 OG1 THR A 24 -5.033 0.608 -10.830 1.00 0.00 O ATOM 329 CG2 THR A 24 -2.677 0.095 -10.972 1.00 0.00 C ATOM 0 H THR A 24 -5.574 0.071 -8.214 1.00 0.00 H new ATOM 0 HA THR A 24 -4.407 -1.837 -9.976 1.00 0.00 H new ATOM 0 HB THR A 24 -3.669 1.048 -9.339 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.855 1.436 -11.323 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.506 1.025 -11.515 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.796 -0.144 -10.376 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.865 -0.710 -11.682 1.00 0.00 H new ATOM 337 N LEU A 25 -2.597 -0.701 -7.442 1.00 0.00 N ATOM 338 CA LEU A 25 -1.418 -0.972 -6.627 1.00 0.00 C ATOM 339 C LEU A 25 -1.214 -2.473 -6.447 1.00 0.00 C ATOM 340 O LEU A 25 -0.100 -2.980 -6.585 1.00 0.00 O ATOM 341 CB LEU A 25 -1.553 -0.297 -5.261 1.00 0.00 C ATOM 342 CG LEU A 25 -2.116 1.125 -5.267 1.00 0.00 C ATOM 343 CD1 LEU A 25 -2.087 1.717 -3.867 1.00 0.00 C ATOM 344 CD2 LEU A 25 -1.337 2.003 -6.236 1.00 0.00 C ATOM 0 H LEU A 25 -3.160 0.086 -7.120 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.548 -0.565 -7.143 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.193 -0.917 -4.633 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.570 -0.275 -4.790 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.153 1.083 -5.599 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.491 2.729 -3.891 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.690 1.101 -3.199 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.059 1.746 -3.505 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.751 3.011 -6.227 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.290 2.038 -5.934 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.411 1.589 -7.242 1.00 0.00 H new ATOM 356 N LEU A 26 -2.297 -3.180 -6.141 1.00 0.00 N ATOM 357 CA LEU A 26 -2.237 -4.624 -5.944 1.00 0.00 C ATOM 358 C LEU A 26 -2.672 -5.363 -7.205 1.00 0.00 C ATOM 359 O LEU A 26 -2.575 -6.587 -7.284 1.00 0.00 O ATOM 360 CB LEU A 26 -3.124 -5.035 -4.767 1.00 0.00 C ATOM 361 CG LEU A 26 -2.869 -4.305 -3.448 1.00 0.00 C ATOM 362 CD1 LEU A 26 -3.768 -4.855 -2.351 1.00 0.00 C ATOM 363 CD2 LEU A 26 -1.405 -4.422 -3.048 1.00 0.00 C ATOM 0 H LEU A 26 -3.227 -2.777 -6.024 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.204 -4.894 -5.724 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.165 -4.879 -5.050 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.997 -6.104 -4.598 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.104 -3.250 -3.588 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.572 -4.323 -1.420 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.812 -4.719 -2.634 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.565 -5.917 -2.212 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.242 -3.897 -2.107 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.144 -5.473 -2.927 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.779 -3.980 -3.824 1.00 0.00 H new ATOM 375 N GLY A 27 -3.149 -4.610 -8.192 1.00 0.00 N ATOM 376 CA GLY A 27 -3.590 -5.212 -9.437 1.00 0.00 C ATOM 377 C GLY A 27 -4.752 -6.164 -9.242 1.00 0.00 C ATOM 378 O GLY A 27 -4.861 -7.173 -9.940 1.00 0.00 O ATOM 0 H GLY A 27 -3.238 -3.595 -8.152 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.882 -4.426 -10.134 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.758 -5.749 -9.892 1.00 0.00 H new ATOM 382 N CYS A 28 -5.623 -5.846 -8.291 1.00 0.00 N ATOM 383 CA CYS A 28 -6.782 -6.683 -8.004 1.00 0.00 C ATOM 384 C CYS A 28 -8.079 -5.916 -8.243 1.00 0.00 C ATOM 385 O CYS A 28 -8.059 -4.725 -8.556 1.00 0.00 O ATOM 386 CB CYS A 28 -6.731 -7.184 -6.560 1.00 0.00 C ATOM 387 SG CYS A 28 -7.314 -5.983 -5.341 1.00 0.00 S ATOM 0 H CYS A 28 -5.548 -5.014 -7.705 1.00 0.00 H new ATOM 0 HA CYS A 28 -6.757 -7.539 -8.679 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -7.333 -8.089 -6.479 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -5.705 -7.461 -6.319 1.00 0.00 H new ATOM 0 HG CYS A 28 -8.185 -6.547 -4.558 1.00 0.00 H new ATOM 393 N ASP A 29 -9.204 -6.606 -8.095 1.00 0.00 N ATOM 394 CA ASP A 29 -10.511 -5.991 -8.296 1.00 0.00 C ATOM 395 C ASP A 29 -11.528 -6.539 -7.301 1.00 0.00 C ATOM 396 O ASP A 29 -11.298 -7.569 -6.668 1.00 0.00 O ATOM 397 CB ASP A 29 -10.997 -6.230 -9.726 1.00 0.00 C ATOM 398 CG ASP A 29 -10.381 -5.263 -10.717 1.00 0.00 C ATOM 399 OD1 ASP A 29 -10.806 -4.089 -10.742 1.00 0.00 O ATOM 400 OD2 ASP A 29 -9.474 -5.679 -11.468 1.00 0.00 O ATOM 0 H ASP A 29 -9.237 -7.592 -7.836 1.00 0.00 H new ATOM 0 HA ASP A 29 -10.410 -4.918 -8.130 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -10.757 -7.251 -10.022 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -12.082 -6.136 -9.758 1.00 0.00 H new ATOM 405 N GLU A 30 -12.653 -5.843 -7.168 1.00 0.00 N ATOM 406 CA GLU A 30 -13.705 -6.260 -6.248 1.00 0.00 C ATOM 407 C GLU A 30 -13.946 -7.764 -6.343 1.00 0.00 C ATOM 408 O GLU A 30 -14.417 -8.390 -5.393 1.00 0.00 O ATOM 409 CB GLU A 30 -15.002 -5.505 -6.544 1.00 0.00 C ATOM 410 CG GLU A 30 -15.427 -5.573 -8.001 1.00 0.00 C ATOM 411 CD GLU A 30 -14.812 -4.471 -8.841 1.00 0.00 C ATOM 412 OE1 GLU A 30 -14.962 -3.289 -8.469 1.00 0.00 O ATOM 413 OE2 GLU A 30 -14.181 -4.791 -9.870 1.00 0.00 O ATOM 0 H GLU A 30 -12.859 -4.988 -7.685 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.380 -6.025 -5.235 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.799 -5.912 -5.922 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.877 -4.460 -6.259 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -15.142 -6.541 -8.414 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -16.513 -5.508 -8.062 1.00 0.00 H new ATOM 420 N LEU A 31 -13.621 -8.337 -7.497 1.00 0.00 N ATOM 421 CA LEU A 31 -13.802 -9.768 -7.718 1.00 0.00 C ATOM 422 C LEU A 31 -12.835 -10.578 -6.861 1.00 0.00 C ATOM 423 O LEU A 31 -13.205 -11.607 -6.295 1.00 0.00 O ATOM 424 CB LEU A 31 -13.597 -10.105 -9.196 1.00 0.00 C ATOM 425 CG LEU A 31 -14.467 -9.332 -10.188 1.00 0.00 C ATOM 426 CD1 LEU A 31 -13.770 -8.053 -10.625 1.00 0.00 C ATOM 427 CD2 LEU A 31 -14.801 -10.199 -11.393 1.00 0.00 C ATOM 0 H LEU A 31 -13.231 -7.833 -8.294 1.00 0.00 H new ATOM 0 HA LEU A 31 -14.820 -10.030 -7.430 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -12.551 -9.928 -9.447 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -13.782 -11.170 -9.334 1.00 0.00 H new ATOM 0 HG LEU A 31 -15.399 -9.062 -9.691 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -14.404 -7.516 -11.331 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -13.583 -7.425 -9.754 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -12.823 -8.300 -11.104 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -15.421 -9.633 -12.088 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -13.879 -10.500 -11.891 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -15.343 -11.086 -11.064 1.00 0.00 H new ATOM 439 N SER A 32 -11.596 -10.106 -6.768 1.00 0.00 N ATOM 440 CA SER A 32 -10.575 -10.788 -5.981 1.00 0.00 C ATOM 441 C SER A 32 -11.003 -10.904 -4.521 1.00 0.00 C ATOM 442 O SER A 32 -11.825 -10.125 -4.040 1.00 0.00 O ATOM 443 CB SER A 32 -9.244 -10.041 -6.077 1.00 0.00 C ATOM 444 OG SER A 32 -9.379 -8.701 -5.636 1.00 0.00 O ATOM 0 H SER A 32 -11.275 -9.254 -7.228 1.00 0.00 H new ATOM 0 HA SER A 32 -10.449 -11.792 -6.385 1.00 0.00 H new ATOM 0 HB2 SER A 32 -8.492 -10.552 -5.475 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.889 -10.054 -7.108 1.00 0.00 H new ATOM 0 HG SER A 32 -10.318 -8.429 -5.699 1.00 0.00 H new ATOM 450 N SER A 33 -10.438 -11.883 -3.822 1.00 0.00 N ATOM 451 CA SER A 33 -10.763 -12.105 -2.418 1.00 0.00 C ATOM 452 C SER A 33 -9.640 -11.603 -1.515 1.00 0.00 C ATOM 453 O SER A 33 -8.477 -11.563 -1.915 1.00 0.00 O ATOM 454 CB SER A 33 -11.013 -13.592 -2.159 1.00 0.00 C ATOM 455 OG SER A 33 -9.814 -14.339 -2.272 1.00 0.00 O ATOM 0 H SER A 33 -9.753 -12.535 -4.205 1.00 0.00 H new ATOM 0 HA SER A 33 -11.670 -11.546 -2.188 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.435 -13.725 -1.163 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.748 -13.969 -2.870 1.00 0.00 H new ATOM 0 HG SER A 33 -10.001 -15.286 -2.100 1.00 0.00 H new ATOM 461 N VAL A 34 -9.999 -11.219 -0.293 1.00 0.00 N ATOM 462 CA VAL A 34 -9.023 -10.720 0.668 1.00 0.00 C ATOM 463 C VAL A 34 -7.835 -11.668 0.788 1.00 0.00 C ATOM 464 O VAL A 34 -6.710 -11.238 1.041 1.00 0.00 O ATOM 465 CB VAL A 34 -9.655 -10.527 2.060 1.00 0.00 C ATOM 466 CG1 VAL A 34 -10.469 -11.751 2.451 1.00 0.00 C ATOM 467 CG2 VAL A 34 -8.580 -10.238 3.097 1.00 0.00 C ATOM 0 H VAL A 34 -10.958 -11.244 0.054 1.00 0.00 H new ATOM 0 HA VAL A 34 -8.677 -9.755 0.297 1.00 0.00 H new ATOM 0 HB VAL A 34 -10.328 -9.671 2.019 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -10.908 -11.597 3.437 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -11.263 -11.908 1.721 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.820 -12.627 2.476 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -9.044 -10.104 4.074 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.881 -11.073 3.138 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.044 -9.329 2.822 1.00 0.00 H new ATOM 477 N GLU A 35 -8.094 -12.959 0.605 1.00 0.00 N ATOM 478 CA GLU A 35 -7.045 -13.967 0.694 1.00 0.00 C ATOM 479 C GLU A 35 -6.109 -13.886 -0.509 1.00 0.00 C ATOM 480 O GLU A 35 -4.890 -13.819 -0.356 1.00 0.00 O ATOM 481 CB GLU A 35 -7.658 -15.367 0.783 1.00 0.00 C ATOM 482 CG GLU A 35 -8.319 -15.657 2.120 1.00 0.00 C ATOM 483 CD GLU A 35 -8.715 -17.113 2.271 1.00 0.00 C ATOM 484 OE1 GLU A 35 -9.451 -17.620 1.399 1.00 0.00 O ATOM 485 OE2 GLU A 35 -8.289 -17.745 3.260 1.00 0.00 O ATOM 0 H GLU A 35 -9.020 -13.331 0.394 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.466 -13.773 1.597 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.396 -15.483 -0.011 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.879 -16.108 0.604 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.637 -15.384 2.925 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.205 -15.030 2.227 1.00 0.00 H new ATOM 492 N GLN A 36 -6.690 -13.894 -1.705 1.00 0.00 N ATOM 493 CA GLN A 36 -5.908 -13.822 -2.933 1.00 0.00 C ATOM 494 C GLN A 36 -5.068 -12.550 -2.971 1.00 0.00 C ATOM 495 O GLN A 36 -3.861 -12.599 -3.208 1.00 0.00 O ATOM 496 CB GLN A 36 -6.830 -13.875 -4.153 1.00 0.00 C ATOM 497 CG GLN A 36 -6.192 -14.526 -5.370 1.00 0.00 C ATOM 498 CD GLN A 36 -5.414 -15.780 -5.020 1.00 0.00 C ATOM 499 OE1 GLN A 36 -4.232 -15.716 -4.682 1.00 0.00 O ATOM 500 NE2 GLN A 36 -6.075 -16.928 -5.099 1.00 0.00 N ATOM 0 H GLN A 36 -7.698 -13.950 -1.849 1.00 0.00 H new ATOM 0 HA GLN A 36 -5.236 -14.680 -2.956 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -7.735 -14.423 -3.891 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.135 -12.861 -4.412 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -6.969 -14.775 -6.093 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -5.525 -13.811 -5.852 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -7.054 -16.934 -5.384 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -5.604 -17.804 -4.875 1.00 0.00 H new ATOM 509 N ILE A 37 -5.714 -11.413 -2.735 1.00 0.00 N ATOM 510 CA ILE A 37 -5.026 -10.128 -2.742 1.00 0.00 C ATOM 511 C ILE A 37 -3.741 -10.189 -1.922 1.00 0.00 C ATOM 512 O ILE A 37 -2.664 -9.844 -2.410 1.00 0.00 O ATOM 513 CB ILE A 37 -5.923 -9.006 -2.186 1.00 0.00 C ATOM 514 CG1 ILE A 37 -7.185 -8.863 -3.039 1.00 0.00 C ATOM 515 CG2 ILE A 37 -5.158 -7.692 -2.137 1.00 0.00 C ATOM 516 CD1 ILE A 37 -8.318 -8.158 -2.328 1.00 0.00 C ATOM 0 H ILE A 37 -6.713 -11.356 -2.537 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.782 -9.906 -3.781 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.221 -9.268 -1.171 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.939 -8.313 -3.948 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -7.520 -9.854 -3.346 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.805 -6.909 -1.742 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.286 -7.802 -1.492 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -4.834 -7.422 -3.142 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.180 -8.092 -2.992 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -8.591 -8.718 -1.434 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.001 -7.154 -2.045 1.00 0.00 H new ATOM 528 N LEU A 38 -3.862 -10.630 -0.675 1.00 0.00 N ATOM 529 CA LEU A 38 -2.709 -10.739 0.213 1.00 0.00 C ATOM 530 C LEU A 38 -1.504 -11.312 -0.526 1.00 0.00 C ATOM 531 O LEU A 38 -0.519 -10.613 -0.763 1.00 0.00 O ATOM 532 CB LEU A 38 -3.049 -11.619 1.417 1.00 0.00 C ATOM 533 CG LEU A 38 -3.780 -10.928 2.568 1.00 0.00 C ATOM 534 CD1 LEU A 38 -4.372 -11.957 3.519 1.00 0.00 C ATOM 535 CD2 LEU A 38 -2.839 -9.991 3.312 1.00 0.00 C ATOM 0 H LEU A 38 -4.746 -10.918 -0.256 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.455 -9.738 0.562 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.662 -12.452 1.072 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.123 -12.044 1.804 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.595 -10.337 2.152 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.888 -11.446 4.332 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.079 -12.587 2.979 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.574 -12.576 3.928 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.377 -9.508 4.128 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.002 -10.561 3.716 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.463 -9.232 2.626 1.00 0.00 H new ATOM 547 N ALA A 39 -1.591 -12.587 -0.890 1.00 0.00 N ATOM 548 CA ALA A 39 -0.510 -13.253 -1.606 1.00 0.00 C ATOM 549 C ALA A 39 0.111 -12.327 -2.646 1.00 0.00 C ATOM 550 O ALA A 39 1.332 -12.191 -2.719 1.00 0.00 O ATOM 551 CB ALA A 39 -1.019 -14.526 -2.266 1.00 0.00 C ATOM 0 H ALA A 39 -2.399 -13.180 -0.701 1.00 0.00 H new ATOM 0 HA ALA A 39 0.263 -13.516 -0.884 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.201 -15.013 -2.797 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.409 -15.200 -1.504 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.812 -14.278 -2.971 1.00 0.00 H new ATOM 557 N GLU A 40 -0.738 -11.694 -3.450 1.00 0.00 N ATOM 558 CA GLU A 40 -0.270 -10.783 -4.488 1.00 0.00 C ATOM 559 C GLU A 40 0.552 -9.647 -3.885 1.00 0.00 C ATOM 560 O GLU A 40 1.579 -9.249 -4.435 1.00 0.00 O ATOM 561 CB GLU A 40 -1.456 -10.210 -5.266 1.00 0.00 C ATOM 562 CG GLU A 40 -2.382 -11.273 -5.833 1.00 0.00 C ATOM 563 CD GLU A 40 -1.792 -11.978 -7.039 1.00 0.00 C ATOM 564 OE1 GLU A 40 -1.116 -11.308 -7.847 1.00 0.00 O ATOM 565 OE2 GLU A 40 -2.007 -13.201 -7.173 1.00 0.00 O ATOM 0 H GLU A 40 -1.752 -11.795 -3.403 1.00 0.00 H new ATOM 0 HA GLU A 40 0.366 -11.347 -5.170 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.028 -9.554 -4.609 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.080 -9.594 -6.083 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.602 -12.008 -5.059 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.329 -10.812 -6.114 1.00 0.00 H new ATOM 572 N PHE A 41 0.093 -9.130 -2.750 1.00 0.00 N ATOM 573 CA PHE A 41 0.784 -8.039 -2.072 1.00 0.00 C ATOM 574 C PHE A 41 2.164 -8.483 -1.597 1.00 0.00 C ATOM 575 O PHE A 41 3.139 -7.738 -1.703 1.00 0.00 O ATOM 576 CB PHE A 41 -0.043 -7.544 -0.883 1.00 0.00 C ATOM 577 CG PHE A 41 0.770 -6.822 0.153 1.00 0.00 C ATOM 578 CD1 PHE A 41 1.201 -5.523 -0.068 1.00 0.00 C ATOM 579 CD2 PHE A 41 1.104 -7.441 1.346 1.00 0.00 C ATOM 580 CE1 PHE A 41 1.949 -4.855 0.884 1.00 0.00 C ATOM 581 CE2 PHE A 41 1.851 -6.778 2.301 1.00 0.00 C ATOM 582 CZ PHE A 41 2.275 -5.484 2.069 1.00 0.00 C ATOM 0 H PHE A 41 -0.754 -9.449 -2.280 1.00 0.00 H new ATOM 0 HA PHE A 41 0.909 -7.223 -2.783 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -0.826 -6.879 -1.247 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.539 -8.395 -0.416 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.950 -5.027 -0.994 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.777 -8.453 1.532 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.278 -3.843 0.701 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.103 -7.271 3.228 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.861 -4.965 2.813 1.00 0.00 H new ATOM 592 N LYS A 42 2.239 -9.701 -1.072 1.00 0.00 N ATOM 593 CA LYS A 42 3.499 -10.246 -0.580 1.00 0.00 C ATOM 594 C LYS A 42 4.532 -10.326 -1.700 1.00 0.00 C ATOM 595 O LYS A 42 5.677 -9.908 -1.532 1.00 0.00 O ATOM 596 CB LYS A 42 3.277 -11.635 0.023 1.00 0.00 C ATOM 597 CG LYS A 42 2.816 -11.603 1.470 1.00 0.00 C ATOM 598 CD LYS A 42 1.304 -11.484 1.572 1.00 0.00 C ATOM 599 CE LYS A 42 0.784 -12.083 2.869 1.00 0.00 C ATOM 600 NZ LYS A 42 1.350 -11.397 4.063 1.00 0.00 N ATOM 0 H LYS A 42 1.442 -10.330 -0.976 1.00 0.00 H new ATOM 0 HA LYS A 42 3.878 -9.577 0.193 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.536 -12.167 -0.574 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.205 -12.203 -0.041 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.145 -12.510 1.978 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.283 -10.762 1.983 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.016 -10.434 1.514 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.840 -11.989 0.725 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.303 -12.012 2.891 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.035 -13.143 2.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.872 -11.741 4.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.368 -11.599 4.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.206 -10.371 3.974 1.00 0.00 H new ATOM 614 N VAL A 43 4.118 -10.864 -2.843 1.00 0.00 N ATOM 615 CA VAL A 43 5.006 -10.996 -3.991 1.00 0.00 C ATOM 616 C VAL A 43 5.286 -9.640 -4.628 1.00 0.00 C ATOM 617 O VAL A 43 6.417 -9.347 -5.017 1.00 0.00 O ATOM 618 CB VAL A 43 4.412 -11.938 -5.055 1.00 0.00 C ATOM 619 CG1 VAL A 43 4.387 -13.371 -4.546 1.00 0.00 C ATOM 620 CG2 VAL A 43 3.016 -11.480 -5.451 1.00 0.00 C ATOM 0 H VAL A 43 3.173 -11.215 -2.998 1.00 0.00 H new ATOM 0 HA VAL A 43 5.940 -11.420 -3.622 1.00 0.00 H new ATOM 0 HB VAL A 43 5.046 -11.904 -5.941 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.964 -14.022 -5.311 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.403 -13.693 -4.316 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.776 -13.426 -3.645 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.611 -12.157 -6.204 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.369 -11.484 -4.574 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.066 -10.471 -5.860 1.00 0.00 H new ATOM 630 N ARG A 44 4.249 -8.815 -4.731 1.00 0.00 N ATOM 631 CA ARG A 44 4.383 -7.489 -5.322 1.00 0.00 C ATOM 632 C ARG A 44 5.138 -6.551 -4.385 1.00 0.00 C ATOM 633 O ARG A 44 5.723 -5.560 -4.822 1.00 0.00 O ATOM 634 CB ARG A 44 3.005 -6.908 -5.641 1.00 0.00 C ATOM 635 CG ARG A 44 2.374 -7.491 -6.896 1.00 0.00 C ATOM 636 CD ARG A 44 0.904 -7.118 -7.005 1.00 0.00 C ATOM 637 NE ARG A 44 0.303 -7.616 -8.239 1.00 0.00 N ATOM 638 CZ ARG A 44 0.417 -7.003 -9.412 1.00 0.00 C ATOM 639 NH1 ARG A 44 1.106 -5.874 -9.509 1.00 0.00 N ATOM 640 NH2 ARG A 44 -0.158 -7.518 -10.490 1.00 0.00 N ATOM 0 H ARG A 44 3.307 -9.042 -4.413 1.00 0.00 H new ATOM 0 HA ARG A 44 4.951 -7.586 -6.247 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.341 -7.084 -4.795 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.093 -5.828 -5.757 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.908 -7.130 -7.775 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.475 -8.576 -6.885 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.363 -7.522 -6.149 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.801 -6.034 -6.964 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.234 -8.482 -8.198 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.550 -5.475 -8.682 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.192 -5.405 -10.411 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.689 -8.386 -10.419 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.070 -7.046 -11.390 1.00 0.00 H new ATOM 654 N ALA A 45 5.119 -6.870 -3.095 1.00 0.00 N ATOM 655 CA ALA A 45 5.802 -6.056 -2.097 1.00 0.00 C ATOM 656 C ALA A 45 7.217 -6.568 -1.846 1.00 0.00 C ATOM 657 O ALA A 45 8.126 -5.791 -1.550 1.00 0.00 O ATOM 658 CB ALA A 45 5.009 -6.036 -0.799 1.00 0.00 C ATOM 0 H ALA A 45 4.638 -7.686 -2.717 1.00 0.00 H new ATOM 0 HA ALA A 45 5.874 -5.039 -2.482 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.531 -5.424 -0.063 1.00 0.00 H new ATOM 0 HB2 ALA A 45 4.020 -5.617 -0.983 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.907 -7.053 -0.419 1.00 0.00 H new ATOM 664 N LEU A 46 7.396 -7.879 -1.966 1.00 0.00 N ATOM 665 CA LEU A 46 8.701 -8.495 -1.752 1.00 0.00 C ATOM 666 C LEU A 46 9.646 -8.186 -2.909 1.00 0.00 C ATOM 667 O LEU A 46 10.794 -7.796 -2.698 1.00 0.00 O ATOM 668 CB LEU A 46 8.552 -10.009 -1.590 1.00 0.00 C ATOM 669 CG LEU A 46 8.284 -10.509 -0.170 1.00 0.00 C ATOM 670 CD1 LEU A 46 7.773 -11.941 -0.197 1.00 0.00 C ATOM 671 CD2 LEU A 46 9.543 -10.406 0.678 1.00 0.00 C ATOM 0 H LEU A 46 6.655 -8.536 -2.210 1.00 0.00 H new ATOM 0 HA LEU A 46 9.126 -8.078 -0.839 1.00 0.00 H new ATOM 0 HB2 LEU A 46 7.737 -10.344 -2.232 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.462 -10.485 -1.956 1.00 0.00 H new ATOM 0 HG LEU A 46 7.516 -9.879 0.278 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.588 -12.280 0.822 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.846 -11.986 -0.769 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.519 -12.585 -0.664 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.334 -10.766 1.685 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.332 -11.012 0.233 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.866 -9.366 0.724 1.00 0.00 H new ATOM 683 N GLU A 47 9.153 -8.361 -4.131 1.00 0.00 N ATOM 684 CA GLU A 47 9.954 -8.099 -5.321 1.00 0.00 C ATOM 685 C GLU A 47 10.324 -6.622 -5.414 1.00 0.00 C ATOM 686 O GLU A 47 11.137 -6.226 -6.251 1.00 0.00 O ATOM 687 CB GLU A 47 9.194 -8.526 -6.579 1.00 0.00 C ATOM 688 CG GLU A 47 9.074 -10.032 -6.736 1.00 0.00 C ATOM 689 CD GLU A 47 8.919 -10.457 -8.183 1.00 0.00 C ATOM 690 OE1 GLU A 47 9.560 -9.837 -9.056 1.00 0.00 O ATOM 691 OE2 GLU A 47 8.155 -11.411 -8.442 1.00 0.00 O ATOM 0 H GLU A 47 8.204 -8.683 -4.323 1.00 0.00 H new ATOM 0 HA GLU A 47 10.872 -8.681 -5.245 1.00 0.00 H new ATOM 0 HB2 GLU A 47 8.195 -8.091 -6.555 1.00 0.00 H new ATOM 0 HB3 GLU A 47 9.699 -8.117 -7.454 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.958 -10.509 -6.314 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.217 -10.386 -6.163 1.00 0.00 H new ATOM 698 N CYS A 48 9.723 -5.812 -4.549 1.00 0.00 N ATOM 699 CA CYS A 48 9.987 -4.378 -4.534 1.00 0.00 C ATOM 700 C CYS A 48 10.208 -3.881 -3.109 1.00 0.00 C ATOM 701 O CYS A 48 10.087 -2.687 -2.830 1.00 0.00 O ATOM 702 CB CYS A 48 8.828 -3.617 -5.179 1.00 0.00 C ATOM 703 SG CYS A 48 7.384 -3.425 -4.107 1.00 0.00 S ATOM 0 H CYS A 48 9.050 -6.124 -3.849 1.00 0.00 H new ATOM 0 HA CYS A 48 10.895 -4.195 -5.108 1.00 0.00 H new ATOM 0 HB2 CYS A 48 9.178 -2.629 -5.479 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.526 -4.138 -6.088 1.00 0.00 H new ATOM 0 HG CYS A 48 6.550 -4.398 -4.324 1.00 0.00 H new ATOM 709 N HIS A 49 10.530 -4.805 -2.209 1.00 0.00 N ATOM 710 CA HIS A 49 10.766 -4.461 -0.811 1.00 0.00 C ATOM 711 C HIS A 49 11.991 -3.562 -0.672 1.00 0.00 C ATOM 712 O HIS A 49 13.008 -3.751 -1.339 1.00 0.00 O ATOM 713 CB HIS A 49 10.951 -5.728 0.024 1.00 0.00 C ATOM 714 CG HIS A 49 10.604 -5.549 1.470 1.00 0.00 C ATOM 715 ND1 HIS A 49 11.551 -5.372 2.455 1.00 0.00 N ATOM 716 CD2 HIS A 49 9.403 -5.519 2.094 1.00 0.00 C ATOM 717 CE1 HIS A 49 10.949 -5.242 3.624 1.00 0.00 C ATOM 718 NE2 HIS A 49 9.645 -5.328 3.432 1.00 0.00 N ATOM 0 H HIS A 49 10.633 -5.797 -2.423 1.00 0.00 H new ATOM 0 HA HIS A 49 9.895 -3.918 -0.444 1.00 0.00 H new ATOM 0 HB2 HIS A 49 10.332 -6.522 -0.394 1.00 0.00 H new ATOM 0 HB3 HIS A 49 11.987 -6.057 -0.054 1.00 0.00 H new ATOM 0 HD2 HIS A 49 8.435 -5.625 1.627 1.00 0.00 H new ATOM 0 HE1 HIS A 49 11.439 -5.091 4.574 1.00 0.00 H new ATOM 0 HE2 HIS A 49 8.933 -5.263 4.160 1.00 0.00 H new ATOM 726 N PRO A 50 11.893 -2.560 0.214 1.00 0.00 N ATOM 727 CA PRO A 50 12.984 -1.612 0.461 1.00 0.00 C ATOM 728 C PRO A 50 14.164 -2.260 1.176 1.00 0.00 C ATOM 729 O PRO A 50 15.309 -2.140 0.740 1.00 0.00 O ATOM 730 CB PRO A 50 12.336 -0.550 1.353 1.00 0.00 C ATOM 731 CG PRO A 50 11.213 -1.258 2.030 1.00 0.00 C ATOM 732 CD PRO A 50 10.710 -2.276 1.044 1.00 0.00 C ATOM 0 HA PRO A 50 13.397 -1.215 -0.466 1.00 0.00 H new ATOM 0 HB2 PRO A 50 13.048 -0.153 2.077 1.00 0.00 H new ATOM 0 HB3 PRO A 50 11.975 0.294 0.765 1.00 0.00 H new ATOM 0 HG2 PRO A 50 11.552 -1.738 2.948 1.00 0.00 H new ATOM 0 HG3 PRO A 50 10.423 -0.560 2.308 1.00 0.00 H new ATOM 0 HD2 PRO A 50 10.345 -3.173 1.544 1.00 0.00 H new ATOM 0 HD3 PRO A 50 9.885 -1.885 0.448 1.00 0.00 H new ATOM 740 N ASP A 51 13.878 -2.947 2.277 1.00 0.00 N ATOM 741 CA ASP A 51 14.917 -3.616 3.052 1.00 0.00 C ATOM 742 C ASP A 51 15.812 -4.459 2.148 1.00 0.00 C ATOM 743 O ASP A 51 17.029 -4.277 2.118 1.00 0.00 O ATOM 744 CB ASP A 51 14.288 -4.497 4.133 1.00 0.00 C ATOM 745 CG ASP A 51 15.199 -4.682 5.331 1.00 0.00 C ATOM 746 OD1 ASP A 51 15.709 -3.668 5.852 1.00 0.00 O ATOM 747 OD2 ASP A 51 15.403 -5.841 5.747 1.00 0.00 O ATOM 0 H ASP A 51 12.936 -3.055 2.653 1.00 0.00 H new ATOM 0 HA ASP A 51 15.530 -2.851 3.528 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.349 -4.051 4.460 1.00 0.00 H new ATOM 0 HB3 ASP A 51 14.048 -5.472 3.709 1.00 0.00 H new ATOM 752 N LYS A 52 15.201 -5.382 1.414 1.00 0.00 N ATOM 753 CA LYS A 52 15.941 -6.254 0.509 1.00 0.00 C ATOM 754 C LYS A 52 16.815 -5.438 -0.438 1.00 0.00 C ATOM 755 O LYS A 52 17.968 -5.788 -0.692 1.00 0.00 O ATOM 756 CB LYS A 52 14.974 -7.126 -0.295 1.00 0.00 C ATOM 757 CG LYS A 52 14.509 -8.365 0.450 1.00 0.00 C ATOM 758 CD LYS A 52 15.614 -9.403 0.552 1.00 0.00 C ATOM 759 CE LYS A 52 15.073 -10.752 0.997 1.00 0.00 C ATOM 760 NZ LYS A 52 14.611 -11.573 -0.157 1.00 0.00 N ATOM 0 H LYS A 52 14.194 -5.546 1.428 1.00 0.00 H new ATOM 0 HA LYS A 52 16.587 -6.896 1.108 1.00 0.00 H new ATOM 0 HB2 LYS A 52 14.104 -6.530 -0.570 1.00 0.00 H new ATOM 0 HB3 LYS A 52 15.458 -7.431 -1.223 1.00 0.00 H new ATOM 0 HG2 LYS A 52 14.177 -8.086 1.450 1.00 0.00 H new ATOM 0 HG3 LYS A 52 13.649 -8.797 -0.062 1.00 0.00 H new ATOM 0 HD2 LYS A 52 16.106 -9.508 -0.415 1.00 0.00 H new ATOM 0 HD3 LYS A 52 16.370 -9.062 1.259 1.00 0.00 H new ATOM 0 HE2 LYS A 52 15.848 -11.293 1.540 1.00 0.00 H new ATOM 0 HE3 LYS A 52 14.245 -10.601 1.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 14.249 -12.485 0.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 13.854 -11.069 -0.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 15.407 -11.739 -0.805 1.00 0.00 H new ATOM 774 N HIS A 53 16.259 -4.348 -0.958 1.00 0.00 N ATOM 775 CA HIS A 53 16.989 -3.481 -1.876 1.00 0.00 C ATOM 776 C HIS A 53 17.264 -2.123 -1.239 1.00 0.00 C ATOM 777 O HIS A 53 16.546 -1.148 -1.463 1.00 0.00 O ATOM 778 CB HIS A 53 16.202 -3.298 -3.174 1.00 0.00 C ATOM 779 CG HIS A 53 15.851 -4.589 -3.849 1.00 0.00 C ATOM 780 ND1 HIS A 53 16.476 -5.032 -4.996 1.00 0.00 N ATOM 781 CD2 HIS A 53 14.937 -5.534 -3.531 1.00 0.00 C ATOM 782 CE1 HIS A 53 15.959 -6.193 -5.355 1.00 0.00 C ATOM 783 NE2 HIS A 53 15.023 -6.521 -4.483 1.00 0.00 N ATOM 0 H HIS A 53 15.306 -4.044 -0.759 1.00 0.00 H new ATOM 0 HA HIS A 53 17.943 -3.956 -2.103 1.00 0.00 H new ATOM 0 HB2 HIS A 53 15.285 -2.749 -2.959 1.00 0.00 H new ATOM 0 HB3 HIS A 53 16.787 -2.686 -3.861 1.00 0.00 H new ATOM 0 HD2 HIS A 53 14.265 -5.516 -2.686 1.00 0.00 H new ATOM 0 HE1 HIS A 53 16.252 -6.776 -6.216 1.00 0.00 H new ATOM 0 HE2 HIS A 53 14.456 -7.369 -4.512 1.00 0.00 H new ATOM 791 N PRO A 54 18.327 -2.055 -0.424 1.00 0.00 N ATOM 792 CA PRO A 54 18.721 -0.821 0.263 1.00 0.00 C ATOM 793 C PRO A 54 19.267 0.229 -0.698 1.00 0.00 C ATOM 794 O PRO A 54 19.813 -0.104 -1.750 1.00 0.00 O ATOM 795 CB PRO A 54 19.816 -1.286 1.227 1.00 0.00 C ATOM 796 CG PRO A 54 20.376 -2.515 0.600 1.00 0.00 C ATOM 797 CD PRO A 54 19.228 -3.177 -0.111 1.00 0.00 C ATOM 0 HA PRO A 54 17.876 -0.341 0.756 1.00 0.00 H new ATOM 0 HB2 PRO A 54 20.583 -0.522 1.353 1.00 0.00 H new ATOM 0 HB3 PRO A 54 19.409 -1.496 2.216 1.00 0.00 H new ATOM 0 HG2 PRO A 54 21.176 -2.267 -0.097 1.00 0.00 H new ATOM 0 HG3 PRO A 54 20.803 -3.177 1.353 1.00 0.00 H new ATOM 0 HD2 PRO A 54 19.558 -3.691 -1.014 1.00 0.00 H new ATOM 0 HD3 PRO A 54 18.740 -3.920 0.519 1.00 0.00 H new ATOM 805 N GLU A 55 19.118 1.497 -0.330 1.00 0.00 N ATOM 806 CA GLU A 55 19.597 2.595 -1.161 1.00 0.00 C ATOM 807 C GLU A 55 18.720 2.763 -2.399 1.00 0.00 C ATOM 808 O GLU A 55 19.198 3.157 -3.462 1.00 0.00 O ATOM 809 CB GLU A 55 21.048 2.351 -1.580 1.00 0.00 C ATOM 810 CG GLU A 55 21.801 3.623 -1.933 1.00 0.00 C ATOM 811 CD GLU A 55 21.615 4.027 -3.383 1.00 0.00 C ATOM 812 OE1 GLU A 55 22.109 3.301 -4.270 1.00 0.00 O ATOM 813 OE2 GLU A 55 20.974 5.071 -3.630 1.00 0.00 O ATOM 0 H GLU A 55 18.669 1.790 0.538 1.00 0.00 H new ATOM 0 HA GLU A 55 19.545 3.511 -0.573 1.00 0.00 H new ATOM 0 HB2 GLU A 55 21.571 1.842 -0.770 1.00 0.00 H new ATOM 0 HB3 GLU A 55 21.062 1.680 -2.439 1.00 0.00 H new ATOM 0 HG2 GLU A 55 21.461 4.433 -1.287 1.00 0.00 H new ATOM 0 HG3 GLU A 55 22.863 3.480 -1.733 1.00 0.00 H new ATOM 820 N ASN A 56 17.434 2.461 -2.251 1.00 0.00 N ATOM 821 CA ASN A 56 16.490 2.577 -3.357 1.00 0.00 C ATOM 822 C ASN A 56 15.211 3.278 -2.908 1.00 0.00 C ATOM 823 O ASN A 56 14.328 2.680 -2.293 1.00 0.00 O ATOM 824 CB ASN A 56 16.156 1.193 -3.917 1.00 0.00 C ATOM 825 CG ASN A 56 15.102 1.249 -5.005 1.00 0.00 C ATOM 826 OD1 ASN A 56 15.051 2.198 -5.788 1.00 0.00 O ATOM 827 ND2 ASN A 56 14.253 0.229 -5.059 1.00 0.00 N ATOM 0 H ASN A 56 17.022 2.134 -1.377 1.00 0.00 H new ATOM 0 HA ASN A 56 16.957 3.175 -4.140 1.00 0.00 H new ATOM 0 HB2 ASN A 56 17.062 0.737 -4.316 1.00 0.00 H new ATOM 0 HB3 ASN A 56 15.806 0.552 -3.108 1.00 0.00 H new ATOM 0 HD21 ASN A 56 13.522 0.211 -5.770 1.00 0.00 H new ATOM 0 HD22 ASN A 56 14.332 -0.537 -4.390 1.00 0.00 H new ATOM 834 N PRO A 57 15.108 4.578 -3.224 1.00 0.00 N ATOM 835 CA PRO A 57 13.941 5.389 -2.865 1.00 0.00 C ATOM 836 C PRO A 57 12.697 4.998 -3.655 1.00 0.00 C ATOM 837 O PRO A 57 11.572 5.272 -3.238 1.00 0.00 O ATOM 838 CB PRO A 57 14.375 6.813 -3.222 1.00 0.00 C ATOM 839 CG PRO A 57 15.410 6.639 -4.280 1.00 0.00 C ATOM 840 CD PRO A 57 16.122 5.355 -3.956 1.00 0.00 C ATOM 0 HA PRO A 57 13.664 5.262 -1.818 1.00 0.00 H new ATOM 0 HB2 PRO A 57 13.534 7.404 -3.584 1.00 0.00 H new ATOM 0 HB3 PRO A 57 14.780 7.333 -2.354 1.00 0.00 H new ATOM 0 HG2 PRO A 57 14.953 6.593 -5.269 1.00 0.00 H new ATOM 0 HG3 PRO A 57 16.105 7.479 -4.288 1.00 0.00 H new ATOM 0 HD2 PRO A 57 16.450 4.839 -4.858 1.00 0.00 H new ATOM 0 HD3 PRO A 57 17.010 5.530 -3.348 1.00 0.00 H new ATOM 848 N LYS A 58 12.907 4.354 -4.799 1.00 0.00 N ATOM 849 CA LYS A 58 11.803 3.923 -5.648 1.00 0.00 C ATOM 850 C LYS A 58 11.018 2.793 -4.988 1.00 0.00 C ATOM 851 O LYS A 58 9.796 2.865 -4.861 1.00 0.00 O ATOM 852 CB LYS A 58 12.329 3.464 -7.010 1.00 0.00 C ATOM 853 CG LYS A 58 12.426 4.583 -8.032 1.00 0.00 C ATOM 854 CD LYS A 58 12.226 4.065 -9.447 1.00 0.00 C ATOM 855 CE LYS A 58 12.618 5.107 -10.483 1.00 0.00 C ATOM 856 NZ LYS A 58 12.923 4.490 -11.803 1.00 0.00 N ATOM 0 H LYS A 58 13.832 4.119 -5.159 1.00 0.00 H new ATOM 0 HA LYS A 58 11.134 4.772 -5.790 1.00 0.00 H new ATOM 0 HB2 LYS A 58 13.314 3.017 -6.878 1.00 0.00 H new ATOM 0 HB3 LYS A 58 11.675 2.684 -7.399 1.00 0.00 H new ATOM 0 HG2 LYS A 58 11.676 5.343 -7.813 1.00 0.00 H new ATOM 0 HG3 LYS A 58 13.401 5.065 -7.954 1.00 0.00 H new ATOM 0 HD2 LYS A 58 12.821 3.164 -9.593 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.182 3.784 -9.589 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.808 5.828 -10.598 1.00 0.00 H new ATOM 0 HE3 LYS A 58 13.489 5.660 -10.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 13.186 5.233 -12.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 13.713 3.821 -11.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.084 3.984 -12.152 1.00 0.00 H new ATOM 870 N ALA A 59 11.729 1.752 -4.568 1.00 0.00 N ATOM 871 CA ALA A 59 11.099 0.609 -3.918 1.00 0.00 C ATOM 872 C ALA A 59 10.278 1.049 -2.711 1.00 0.00 C ATOM 873 O ALA A 59 9.090 0.740 -2.610 1.00 0.00 O ATOM 874 CB ALA A 59 12.152 -0.407 -3.501 1.00 0.00 C ATOM 0 H ALA A 59 12.741 1.676 -4.666 1.00 0.00 H new ATOM 0 HA ALA A 59 10.423 0.142 -4.634 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.668 -1.255 -3.017 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.693 -0.752 -4.382 1.00 0.00 H new ATOM 0 HB3 ALA A 59 12.850 0.058 -2.805 1.00 0.00 H new ATOM 880 N VAL A 60 10.917 1.771 -1.797 1.00 0.00 N ATOM 881 CA VAL A 60 10.245 2.253 -0.596 1.00 0.00 C ATOM 882 C VAL A 60 8.924 2.931 -0.940 1.00 0.00 C ATOM 883 O VAL A 60 7.885 2.618 -0.359 1.00 0.00 O ATOM 884 CB VAL A 60 11.130 3.245 0.183 1.00 0.00 C ATOM 885 CG1 VAL A 60 10.415 3.730 1.434 1.00 0.00 C ATOM 886 CG2 VAL A 60 12.464 2.604 0.535 1.00 0.00 C ATOM 0 H VAL A 60 11.900 2.035 -1.865 1.00 0.00 H new ATOM 0 HA VAL A 60 10.051 1.381 0.029 1.00 0.00 H new ATOM 0 HB VAL A 60 11.324 4.109 -0.452 1.00 0.00 H new ATOM 0 HG11 VAL A 60 11.056 4.430 1.971 1.00 0.00 H new ATOM 0 HG12 VAL A 60 9.488 4.229 1.153 1.00 0.00 H new ATOM 0 HG13 VAL A 60 10.188 2.879 2.076 1.00 0.00 H new ATOM 0 HG21 VAL A 60 13.077 3.318 1.085 1.00 0.00 H new ATOM 0 HG22 VAL A 60 12.292 1.722 1.152 1.00 0.00 H new ATOM 0 HG23 VAL A 60 12.980 2.312 -0.380 1.00 0.00 H new ATOM 896 N GLU A 61 8.971 3.859 -1.890 1.00 0.00 N ATOM 897 CA GLU A 61 7.776 4.581 -2.312 1.00 0.00 C ATOM 898 C GLU A 61 6.718 3.619 -2.843 1.00 0.00 C ATOM 899 O GLU A 61 5.547 3.976 -2.976 1.00 0.00 O ATOM 900 CB GLU A 61 8.129 5.612 -3.386 1.00 0.00 C ATOM 901 CG GLU A 61 7.099 6.720 -3.528 1.00 0.00 C ATOM 902 CD GLU A 61 5.909 6.307 -4.372 1.00 0.00 C ATOM 903 OE1 GLU A 61 6.110 5.970 -5.557 1.00 0.00 O ATOM 904 OE2 GLU A 61 4.777 6.320 -3.846 1.00 0.00 O ATOM 0 H GLU A 61 9.823 4.129 -2.382 1.00 0.00 H new ATOM 0 HA GLU A 61 7.369 5.097 -1.443 1.00 0.00 H new ATOM 0 HB2 GLU A 61 9.096 6.055 -3.149 1.00 0.00 H new ATOM 0 HB3 GLU A 61 8.238 5.104 -4.344 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.752 7.017 -2.538 1.00 0.00 H new ATOM 0 HG3 GLU A 61 7.571 7.594 -3.976 1.00 0.00 H new ATOM 911 N THR A 62 7.139 2.395 -3.146 1.00 0.00 N ATOM 912 CA THR A 62 6.229 1.380 -3.664 1.00 0.00 C ATOM 913 C THR A 62 5.603 0.573 -2.532 1.00 0.00 C ATOM 914 O THR A 62 4.399 0.315 -2.532 1.00 0.00 O ATOM 915 CB THR A 62 6.950 0.419 -4.627 1.00 0.00 C ATOM 916 OG1 THR A 62 7.718 1.163 -5.579 1.00 0.00 O ATOM 917 CG2 THR A 62 5.951 -0.467 -5.357 1.00 0.00 C ATOM 0 H THR A 62 8.104 2.082 -3.042 1.00 0.00 H new ATOM 0 HA THR A 62 5.444 1.906 -4.208 1.00 0.00 H new ATOM 0 HB THR A 62 7.615 -0.215 -4.040 1.00 0.00 H new ATOM 0 HG1 THR A 62 8.453 1.621 -5.120 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.484 -1.137 -6.031 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.388 -1.054 -4.632 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.265 0.155 -5.931 1.00 0.00 H new ATOM 925 N PHE A 63 6.428 0.177 -1.568 1.00 0.00 N ATOM 926 CA PHE A 63 5.954 -0.601 -0.430 1.00 0.00 C ATOM 927 C PHE A 63 4.925 0.185 0.377 1.00 0.00 C ATOM 928 O PHE A 63 4.060 -0.395 1.032 1.00 0.00 O ATOM 929 CB PHE A 63 7.128 -0.997 0.468 1.00 0.00 C ATOM 930 CG PHE A 63 6.752 -1.958 1.559 1.00 0.00 C ATOM 931 CD1 PHE A 63 6.035 -3.108 1.270 1.00 0.00 C ATOM 932 CD2 PHE A 63 7.114 -1.711 2.874 1.00 0.00 C ATOM 933 CE1 PHE A 63 5.687 -3.995 2.272 1.00 0.00 C ATOM 934 CE2 PHE A 63 6.769 -2.595 3.879 1.00 0.00 C ATOM 935 CZ PHE A 63 6.053 -3.737 3.578 1.00 0.00 C ATOM 0 H PHE A 63 7.427 0.382 -1.552 1.00 0.00 H new ATOM 0 HA PHE A 63 5.477 -1.503 -0.813 1.00 0.00 H new ATOM 0 HB2 PHE A 63 7.909 -1.445 -0.146 1.00 0.00 H new ATOM 0 HB3 PHE A 63 7.551 -0.098 0.917 1.00 0.00 H new ATOM 0 HD1 PHE A 63 5.745 -3.314 0.250 1.00 0.00 H new ATOM 0 HD2 PHE A 63 7.672 -0.818 3.116 1.00 0.00 H new ATOM 0 HE1 PHE A 63 5.129 -4.889 2.033 1.00 0.00 H new ATOM 0 HE2 PHE A 63 7.059 -2.393 4.899 1.00 0.00 H new ATOM 0 HZ PHE A 63 5.780 -4.427 4.363 1.00 0.00 H new ATOM 945 N GLN A 64 5.028 1.510 0.325 1.00 0.00 N ATOM 946 CA GLN A 64 4.107 2.376 1.052 1.00 0.00 C ATOM 947 C GLN A 64 2.694 2.263 0.488 1.00 0.00 C ATOM 948 O GLN A 64 1.725 2.132 1.235 1.00 0.00 O ATOM 949 CB GLN A 64 4.581 3.829 0.985 1.00 0.00 C ATOM 950 CG GLN A 64 5.718 4.142 1.945 1.00 0.00 C ATOM 951 CD GLN A 64 5.859 5.627 2.217 1.00 0.00 C ATOM 952 OE1 GLN A 64 5.076 6.210 2.967 1.00 0.00 O ATOM 953 NE2 GLN A 64 6.862 6.248 1.607 1.00 0.00 N ATOM 0 H GLN A 64 5.739 2.006 -0.212 1.00 0.00 H new ATOM 0 HA GLN A 64 4.090 2.054 2.093 1.00 0.00 H new ATOM 0 HB2 GLN A 64 4.904 4.051 -0.032 1.00 0.00 H new ATOM 0 HB3 GLN A 64 3.740 4.487 1.203 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.549 3.618 2.886 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.652 3.762 1.532 1.00 0.00 H new ATOM 0 HE21 GLN A 64 7.487 5.726 0.993 1.00 0.00 H new ATOM 0 HE22 GLN A 64 7.007 7.247 1.752 1.00 0.00 H new ATOM 962 N LYS A 65 2.584 2.316 -0.835 1.00 0.00 N ATOM 963 CA LYS A 65 1.291 2.219 -1.500 1.00 0.00 C ATOM 964 C LYS A 65 0.825 0.768 -1.575 1.00 0.00 C ATOM 965 O LYS A 65 -0.367 0.495 -1.730 1.00 0.00 O ATOM 966 CB LYS A 65 1.372 2.813 -2.908 1.00 0.00 C ATOM 967 CG LYS A 65 1.752 1.800 -3.975 1.00 0.00 C ATOM 968 CD LYS A 65 1.911 2.456 -5.336 1.00 0.00 C ATOM 969 CE LYS A 65 3.315 3.009 -5.528 1.00 0.00 C ATOM 970 NZ LYS A 65 4.225 2.008 -6.151 1.00 0.00 N ATOM 0 H LYS A 65 3.376 2.426 -1.468 1.00 0.00 H new ATOM 0 HA LYS A 65 0.567 2.785 -0.915 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.408 3.253 -3.164 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.102 3.622 -2.910 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.684 1.309 -3.696 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.988 1.025 -4.031 1.00 0.00 H new ATOM 0 HD2 LYS A 65 1.695 1.729 -6.119 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.184 3.262 -5.440 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.272 3.900 -6.154 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.719 3.317 -4.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.209 2.333 -6.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.119 1.094 -5.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.983 1.897 -7.156 1.00 0.00 H new ATOM 984 N LEU A 66 1.770 -0.158 -1.464 1.00 0.00 N ATOM 985 CA LEU A 66 1.456 -1.582 -1.517 1.00 0.00 C ATOM 986 C LEU A 66 0.971 -2.084 -0.161 1.00 0.00 C ATOM 987 O LEU A 66 0.006 -2.844 -0.079 1.00 0.00 O ATOM 988 CB LEU A 66 2.684 -2.379 -1.959 1.00 0.00 C ATOM 989 CG LEU A 66 2.851 -2.573 -3.467 1.00 0.00 C ATOM 990 CD1 LEU A 66 4.052 -3.459 -3.761 1.00 0.00 C ATOM 991 CD2 LEU A 66 1.587 -3.167 -4.071 1.00 0.00 C ATOM 0 H LEU A 66 2.760 0.051 -1.337 1.00 0.00 H new ATOM 0 HA LEU A 66 0.656 -1.725 -2.244 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.574 -1.879 -1.576 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.643 -3.361 -1.489 1.00 0.00 H new ATOM 0 HG LEU A 66 3.024 -1.598 -3.923 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.155 -3.586 -4.839 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.954 -2.994 -3.362 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.909 -4.433 -3.293 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.724 -3.298 -5.144 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.383 -4.134 -3.610 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.748 -2.495 -3.892 1.00 0.00 H new ATOM 1003 N GLN A 67 1.645 -1.652 0.900 1.00 0.00 N ATOM 1004 CA GLN A 67 1.281 -2.057 2.253 1.00 0.00 C ATOM 1005 C GLN A 67 -0.008 -1.374 2.697 1.00 0.00 C ATOM 1006 O GLN A 67 -0.745 -1.898 3.532 1.00 0.00 O ATOM 1007 CB GLN A 67 2.411 -1.725 3.228 1.00 0.00 C ATOM 1008 CG GLN A 67 2.351 -0.305 3.769 1.00 0.00 C ATOM 1009 CD GLN A 67 1.530 -0.199 5.039 1.00 0.00 C ATOM 1010 OE1 GLN A 67 1.096 -1.207 5.597 1.00 0.00 O ATOM 1011 NE2 GLN A 67 1.314 1.026 5.504 1.00 0.00 N ATOM 0 H GLN A 67 2.446 -1.022 0.849 1.00 0.00 H new ATOM 0 HA GLN A 67 1.117 -3.135 2.252 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.376 -2.425 4.063 1.00 0.00 H new ATOM 0 HB3 GLN A 67 3.367 -1.874 2.727 1.00 0.00 H new ATOM 0 HG2 GLN A 67 3.363 0.048 3.965 1.00 0.00 H new ATOM 0 HG3 GLN A 67 1.926 0.351 3.010 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.693 1.833 5.009 1.00 0.00 H new ATOM 0 HE22 GLN A 67 0.769 1.159 6.356 1.00 0.00 H new ATOM 1020 N LYS A 68 -0.274 -0.200 2.134 1.00 0.00 N ATOM 1021 CA LYS A 68 -1.474 0.556 2.471 1.00 0.00 C ATOM 1022 C LYS A 68 -2.716 -0.101 1.877 1.00 0.00 C ATOM 1023 O LYS A 68 -3.568 -0.610 2.604 1.00 0.00 O ATOM 1024 CB LYS A 68 -1.354 1.996 1.965 1.00 0.00 C ATOM 1025 CG LYS A 68 -2.335 2.954 2.618 1.00 0.00 C ATOM 1026 CD LYS A 68 -1.889 3.342 4.017 1.00 0.00 C ATOM 1027 CE LYS A 68 -2.407 4.718 4.406 1.00 0.00 C ATOM 1028 NZ LYS A 68 -1.807 5.794 3.569 1.00 0.00 N ATOM 0 H LYS A 68 0.326 0.249 1.442 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.574 0.566 3.556 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.339 2.351 2.143 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.511 2.007 0.886 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.433 3.850 2.005 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.321 2.491 2.665 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -2.247 2.602 4.732 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.800 3.334 4.068 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.492 4.740 4.303 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -2.183 4.907 5.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.812 6.689 4.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.828 5.540 3.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.362 5.905 2.696 1.00 0.00 H new ATOM 1042 N ALA A 69 -2.810 -0.087 0.551 1.00 0.00 N ATOM 1043 CA ALA A 69 -3.945 -0.685 -0.140 1.00 0.00 C ATOM 1044 C ALA A 69 -4.218 -2.096 0.370 1.00 0.00 C ATOM 1045 O ALA A 69 -5.370 -2.489 0.553 1.00 0.00 O ATOM 1046 CB ALA A 69 -3.699 -0.703 -1.642 1.00 0.00 C ATOM 0 H ALA A 69 -2.114 0.332 -0.065 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.825 -0.076 0.066 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.555 -1.152 -2.146 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.562 0.317 -2.000 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.804 -1.287 -1.857 1.00 0.00 H new ATOM 1052 N LYS A 70 -3.151 -2.854 0.598 1.00 0.00 N ATOM 1053 CA LYS A 70 -3.274 -4.222 1.088 1.00 0.00 C ATOM 1054 C LYS A 70 -4.201 -4.285 2.298 1.00 0.00 C ATOM 1055 O LYS A 70 -4.990 -5.218 2.438 1.00 0.00 O ATOM 1056 CB LYS A 70 -1.898 -4.780 1.456 1.00 0.00 C ATOM 1057 CG LYS A 70 -1.958 -6.006 2.350 1.00 0.00 C ATOM 1058 CD LYS A 70 -2.055 -5.622 3.817 1.00 0.00 C ATOM 1059 CE LYS A 70 -1.430 -6.680 4.713 1.00 0.00 C ATOM 1060 NZ LYS A 70 0.023 -6.433 4.932 1.00 0.00 N ATOM 0 H LYS A 70 -2.190 -2.544 0.451 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.704 -4.829 0.291 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.362 -5.033 0.542 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.322 -4.002 1.958 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.818 -6.616 2.075 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -1.070 -6.617 2.191 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.556 -4.667 3.978 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.101 -5.485 4.090 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -1.945 -6.693 5.674 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.568 -7.664 4.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.383 -7.092 5.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 0.538 -6.579 4.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 0.164 -5.455 5.257 1.00 0.00 H new ATOM 1074 N GLU A 71 -4.099 -3.285 3.168 1.00 0.00 N ATOM 1075 CA GLU A 71 -4.929 -3.228 4.366 1.00 0.00 C ATOM 1076 C GLU A 71 -6.280 -2.586 4.062 1.00 0.00 C ATOM 1077 O GLU A 71 -7.312 -3.014 4.579 1.00 0.00 O ATOM 1078 CB GLU A 71 -4.216 -2.443 5.470 1.00 0.00 C ATOM 1079 CG GLU A 71 -4.617 -2.868 6.873 1.00 0.00 C ATOM 1080 CD GLU A 71 -3.834 -2.139 7.948 1.00 0.00 C ATOM 1081 OE1 GLU A 71 -3.809 -0.891 7.923 1.00 0.00 O ATOM 1082 OE2 GLU A 71 -3.246 -2.819 8.816 1.00 0.00 O ATOM 0 H GLU A 71 -3.451 -2.504 3.066 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.100 -4.249 4.708 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -3.139 -2.567 5.355 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -4.430 -1.381 5.346 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.682 -2.682 7.015 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.463 -3.942 6.982 1.00 0.00 H new ATOM 1089 N ILE A 72 -6.264 -1.558 3.221 1.00 0.00 N ATOM 1090 CA ILE A 72 -7.486 -0.858 2.847 1.00 0.00 C ATOM 1091 C ILE A 72 -8.465 -1.796 2.147 1.00 0.00 C ATOM 1092 O ILE A 72 -9.669 -1.542 2.114 1.00 0.00 O ATOM 1093 CB ILE A 72 -7.191 0.339 1.925 1.00 0.00 C ATOM 1094 CG1 ILE A 72 -6.207 1.298 2.597 1.00 0.00 C ATOM 1095 CG2 ILE A 72 -8.480 1.061 1.564 1.00 0.00 C ATOM 1096 CD1 ILE A 72 -6.767 1.971 3.831 1.00 0.00 C ATOM 0 H ILE A 72 -5.418 -1.191 2.785 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.934 -0.492 3.771 1.00 0.00 H new ATOM 0 HB ILE A 72 -6.737 -0.033 1.006 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.306 0.749 2.870 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -5.910 2.063 1.879 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.254 1.905 0.912 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.150 0.373 1.049 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.961 1.423 2.473 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.015 2.636 4.255 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -7.652 2.548 3.561 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.038 1.214 4.567 1.00 0.00 H new ATOM 1108 N LEU A 73 -7.939 -2.881 1.590 1.00 0.00 N ATOM 1109 CA LEU A 73 -8.766 -3.859 0.891 1.00 0.00 C ATOM 1110 C LEU A 73 -9.081 -5.049 1.792 1.00 0.00 C ATOM 1111 O LEU A 73 -10.243 -5.325 2.092 1.00 0.00 O ATOM 1112 CB LEU A 73 -8.060 -4.339 -0.378 1.00 0.00 C ATOM 1113 CG LEU A 73 -7.728 -3.261 -1.410 1.00 0.00 C ATOM 1114 CD1 LEU A 73 -6.950 -3.856 -2.573 1.00 0.00 C ATOM 1115 CD2 LEU A 73 -9.000 -2.588 -1.906 1.00 0.00 C ATOM 0 H LEU A 73 -6.944 -3.106 1.609 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.704 -3.376 0.617 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.133 -4.834 -0.089 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.688 -5.091 -0.857 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.104 -2.507 -0.931 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -6.723 -3.074 -3.297 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.021 -4.290 -2.205 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.548 -4.631 -3.052 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -8.745 -1.824 -2.640 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -9.649 -3.332 -2.368 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -9.518 -2.126 -1.066 1.00 0.00 H new ATOM 1127 N THR A 74 -8.037 -5.750 2.224 1.00 0.00 N ATOM 1128 CA THR A 74 -8.202 -6.909 3.092 1.00 0.00 C ATOM 1129 C THR A 74 -9.255 -6.649 4.163 1.00 0.00 C ATOM 1130 O THR A 74 -9.878 -7.580 4.672 1.00 0.00 O ATOM 1131 CB THR A 74 -6.875 -7.292 3.776 1.00 0.00 C ATOM 1132 OG1 THR A 74 -6.329 -6.156 4.456 1.00 0.00 O ATOM 1133 CG2 THR A 74 -5.872 -7.811 2.757 1.00 0.00 C ATOM 0 H THR A 74 -7.069 -5.535 1.987 1.00 0.00 H new ATOM 0 HA THR A 74 -8.528 -7.734 2.459 1.00 0.00 H new ATOM 0 HB THR A 74 -7.078 -8.083 4.498 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.600 -5.775 3.923 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.943 -8.075 3.263 1.00 0.00 H new ATOM 0 HG22 THR A 74 -6.279 -8.693 2.262 1.00 0.00 H new ATOM 0 HG23 THR A 74 -5.674 -7.038 2.015 1.00 0.00 H new ATOM 1141 N ASN A 75 -9.450 -5.378 4.499 1.00 0.00 N ATOM 1142 CA ASN A 75 -10.429 -4.996 5.510 1.00 0.00 C ATOM 1143 C ASN A 75 -11.747 -4.583 4.862 1.00 0.00 C ATOM 1144 O ASN A 75 -11.787 -3.661 4.048 1.00 0.00 O ATOM 1145 CB ASN A 75 -9.888 -3.850 6.367 1.00 0.00 C ATOM 1146 CG ASN A 75 -10.474 -3.847 7.766 1.00 0.00 C ATOM 1147 OD1 ASN A 75 -9.798 -4.197 8.734 1.00 0.00 O ATOM 1148 ND2 ASN A 75 -11.736 -3.452 7.877 1.00 0.00 N ATOM 0 H ASN A 75 -8.943 -4.595 4.086 1.00 0.00 H new ATOM 0 HA ASN A 75 -10.613 -5.861 6.147 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -8.803 -3.929 6.431 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -10.111 -2.900 5.881 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -12.185 -3.430 8.793 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -12.257 -3.171 7.047 1.00 0.00 H new ATOM 1155 N GLU A 76 -12.823 -5.272 5.229 1.00 0.00 N ATOM 1156 CA GLU A 76 -14.142 -4.976 4.683 1.00 0.00 C ATOM 1157 C GLU A 76 -14.625 -3.603 5.140 1.00 0.00 C ATOM 1158 O GLU A 76 -15.234 -2.861 4.371 1.00 0.00 O ATOM 1159 CB GLU A 76 -15.146 -6.050 5.107 1.00 0.00 C ATOM 1160 CG GLU A 76 -15.293 -6.185 6.613 1.00 0.00 C ATOM 1161 CD GLU A 76 -16.068 -7.425 7.015 1.00 0.00 C ATOM 1162 OE1 GLU A 76 -17.315 -7.372 7.016 1.00 0.00 O ATOM 1163 OE2 GLU A 76 -15.425 -8.450 7.329 1.00 0.00 O ATOM 0 H GLU A 76 -12.807 -6.039 5.902 1.00 0.00 H new ATOM 0 HA GLU A 76 -14.064 -4.970 3.596 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -16.119 -5.817 4.675 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -14.835 -7.009 4.693 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -14.304 -6.216 7.069 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -15.798 -5.302 7.006 1.00 0.00 H new ATOM 1170 N GLU A 77 -14.348 -3.274 6.398 1.00 0.00 N ATOM 1171 CA GLU A 77 -14.756 -1.991 6.959 1.00 0.00 C ATOM 1172 C GLU A 77 -14.213 -0.835 6.123 1.00 0.00 C ATOM 1173 O GLU A 77 -14.939 0.104 5.797 1.00 0.00 O ATOM 1174 CB GLU A 77 -14.269 -1.862 8.404 1.00 0.00 C ATOM 1175 CG GLU A 77 -14.827 -0.649 9.128 1.00 0.00 C ATOM 1176 CD GLU A 77 -16.296 -0.801 9.475 1.00 0.00 C ATOM 1177 OE1 GLU A 77 -16.992 -1.571 8.780 1.00 0.00 O ATOM 1178 OE2 GLU A 77 -16.749 -0.150 10.439 1.00 0.00 O ATOM 0 H GLU A 77 -13.843 -3.877 7.047 1.00 0.00 H new ATOM 0 HA GLU A 77 -15.845 -1.948 6.945 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -14.546 -2.762 8.954 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -13.180 -1.808 8.408 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.257 -0.482 10.042 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.695 0.235 8.504 1.00 0.00 H new ATOM 1185 N SER A 78 -12.931 -0.911 5.781 1.00 0.00 N ATOM 1186 CA SER A 78 -12.288 0.130 4.987 1.00 0.00 C ATOM 1187 C SER A 78 -12.677 0.010 3.517 1.00 0.00 C ATOM 1188 O SER A 78 -13.151 0.970 2.909 1.00 0.00 O ATOM 1189 CB SER A 78 -10.768 0.046 5.132 1.00 0.00 C ATOM 1190 OG SER A 78 -10.136 1.164 4.534 1.00 0.00 O ATOM 0 H SER A 78 -12.317 -1.683 6.041 1.00 0.00 H new ATOM 0 HA SER A 78 -12.628 1.097 5.357 1.00 0.00 H new ATOM 0 HB2 SER A 78 -10.503 -0.004 6.188 1.00 0.00 H new ATOM 0 HB3 SER A 78 -10.406 -0.872 4.669 1.00 0.00 H new ATOM 0 HG SER A 78 -9.233 1.264 4.901 1.00 0.00 H new ATOM 1196 N ARG A 79 -12.474 -1.176 2.952 1.00 0.00 N ATOM 1197 CA ARG A 79 -12.802 -1.422 1.553 1.00 0.00 C ATOM 1198 C ARG A 79 -14.201 -0.909 1.224 1.00 0.00 C ATOM 1199 O ARG A 79 -14.434 -0.358 0.149 1.00 0.00 O ATOM 1200 CB ARG A 79 -12.708 -2.916 1.241 1.00 0.00 C ATOM 1201 CG ARG A 79 -12.754 -3.232 -0.246 1.00 0.00 C ATOM 1202 CD ARG A 79 -13.210 -4.660 -0.498 1.00 0.00 C ATOM 1203 NE ARG A 79 -12.671 -5.195 -1.746 1.00 0.00 N ATOM 1204 CZ ARG A 79 -12.559 -6.493 -2.001 1.00 0.00 C ATOM 1205 NH1 ARG A 79 -12.947 -7.385 -1.100 1.00 0.00 N ATOM 1206 NH2 ARG A 79 -12.058 -6.902 -3.160 1.00 0.00 N ATOM 0 H ARG A 79 -12.084 -1.981 3.442 1.00 0.00 H new ATOM 0 HA ARG A 79 -12.082 -0.883 0.937 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -11.781 -3.308 1.659 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -13.527 -3.435 1.740 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -13.431 -2.539 -0.746 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -11.766 -3.082 -0.682 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -12.897 -5.292 0.333 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -14.299 -4.692 -0.530 1.00 0.00 H new ATOM 0 HE ARG A 79 -12.364 -4.535 -2.461 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -13.333 -7.075 -0.208 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -12.860 -8.382 -1.299 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -11.759 -6.219 -3.856 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -11.972 -7.900 -3.355 1.00 0.00 H new ATOM 1220 N ALA A 80 -15.128 -1.095 2.158 1.00 0.00 N ATOM 1221 CA ALA A 80 -16.504 -0.651 1.968 1.00 0.00 C ATOM 1222 C ALA A 80 -16.573 0.864 1.807 1.00 0.00 C ATOM 1223 O ALA A 80 -17.095 1.368 0.812 1.00 0.00 O ATOM 1224 CB ALA A 80 -17.369 -1.099 3.136 1.00 0.00 C ATOM 0 H ALA A 80 -14.951 -1.550 3.054 1.00 0.00 H new ATOM 0 HA ALA A 80 -16.884 -1.106 1.053 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -18.393 -0.761 2.981 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -17.353 -2.187 3.205 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -16.982 -0.671 4.061 1.00 0.00 H new ATOM 1230 N ARG A 81 -16.046 1.584 2.791 1.00 0.00 N ATOM 1231 CA ARG A 81 -16.051 3.042 2.759 1.00 0.00 C ATOM 1232 C ARG A 81 -15.431 3.559 1.464 1.00 0.00 C ATOM 1233 O ARG A 81 -15.967 4.465 0.826 1.00 0.00 O ATOM 1234 CB ARG A 81 -15.288 3.603 3.961 1.00 0.00 C ATOM 1235 CG ARG A 81 -15.861 3.170 5.301 1.00 0.00 C ATOM 1236 CD ARG A 81 -17.165 3.890 5.608 1.00 0.00 C ATOM 1237 NE ARG A 81 -16.944 5.280 5.996 1.00 0.00 N ATOM 1238 CZ ARG A 81 -17.906 6.195 6.029 1.00 0.00 C ATOM 1239 NH1 ARG A 81 -19.148 5.869 5.698 1.00 0.00 N ATOM 1240 NH2 ARG A 81 -17.627 7.441 6.393 1.00 0.00 N ATOM 0 H ARG A 81 -15.610 1.182 3.621 1.00 0.00 H new ATOM 0 HA ARG A 81 -17.087 3.378 2.806 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -14.247 3.285 3.901 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -15.293 4.692 3.908 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -16.031 2.093 5.294 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -15.137 3.373 6.090 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -17.812 3.857 4.732 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -17.687 3.368 6.410 1.00 0.00 H new ATOM 0 HE ARG A 81 -15.999 5.564 6.256 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -19.367 4.913 5.417 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -19.885 6.574 5.724 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -16.673 7.696 6.648 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -18.367 8.143 6.418 1.00 0.00 H new ATOM 1254 N TYR A 82 -14.300 2.976 1.082 1.00 0.00 N ATOM 1255 CA TYR A 82 -13.606 3.380 -0.135 1.00 0.00 C ATOM 1256 C TYR A 82 -14.564 3.419 -1.322 1.00 0.00 C ATOM 1257 O TYR A 82 -14.612 4.401 -2.063 1.00 0.00 O ATOM 1258 CB TYR A 82 -12.451 2.422 -0.430 1.00 0.00 C ATOM 1259 CG TYR A 82 -11.618 2.826 -1.626 1.00 0.00 C ATOM 1260 CD1 TYR A 82 -11.030 4.083 -1.693 1.00 0.00 C ATOM 1261 CD2 TYR A 82 -11.420 1.953 -2.688 1.00 0.00 C ATOM 1262 CE1 TYR A 82 -10.268 4.458 -2.783 1.00 0.00 C ATOM 1263 CE2 TYR A 82 -10.660 2.319 -3.781 1.00 0.00 C ATOM 1264 CZ TYR A 82 -10.086 3.572 -3.825 1.00 0.00 C ATOM 1265 OH TYR A 82 -9.329 3.941 -4.913 1.00 0.00 O ATOM 0 H TYR A 82 -13.845 2.223 1.597 1.00 0.00 H new ATOM 0 HA TYR A 82 -13.208 4.383 0.020 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -11.807 2.362 0.447 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -12.853 1.423 -0.599 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -11.171 4.779 -0.879 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -11.868 0.971 -2.658 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -9.817 5.439 -2.819 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -10.516 1.627 -4.598 1.00 0.00 H new ATOM 0 HH TYR A 82 -9.299 3.202 -5.556 1.00 0.00 H new ATOM 1275 N ASP A 83 -15.326 2.345 -1.494 1.00 0.00 N ATOM 1276 CA ASP A 83 -16.285 2.255 -2.589 1.00 0.00 C ATOM 1277 C ASP A 83 -17.332 3.360 -2.486 1.00 0.00 C ATOM 1278 O ASP A 83 -17.814 3.870 -3.498 1.00 0.00 O ATOM 1279 CB ASP A 83 -16.968 0.887 -2.586 1.00 0.00 C ATOM 1280 CG ASP A 83 -17.506 0.505 -3.951 1.00 0.00 C ATOM 1281 OD1 ASP A 83 -18.671 0.845 -4.245 1.00 0.00 O ATOM 1282 OD2 ASP A 83 -16.762 -0.134 -4.725 1.00 0.00 O ATOM 0 H ASP A 83 -15.298 1.524 -0.889 1.00 0.00 H new ATOM 0 HA ASP A 83 -15.742 2.379 -3.526 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -16.257 0.130 -2.254 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -17.786 0.894 -1.865 1.00 0.00 H new ATOM 1287 N HIS A 84 -17.681 3.725 -1.256 1.00 0.00 N ATOM 1288 CA HIS A 84 -18.671 4.770 -1.020 1.00 0.00 C ATOM 1289 C HIS A 84 -18.111 6.142 -1.384 1.00 0.00 C ATOM 1290 O HIS A 84 -18.858 7.051 -1.745 1.00 0.00 O ATOM 1291 CB HIS A 84 -19.117 4.759 0.442 1.00 0.00 C ATOM 1292 CG HIS A 84 -20.363 5.551 0.695 1.00 0.00 C ATOM 1293 ND1 HIS A 84 -21.599 4.969 0.882 1.00 0.00 N ATOM 1294 CD2 HIS A 84 -20.558 6.887 0.792 1.00 0.00 C ATOM 1295 CE1 HIS A 84 -22.501 5.913 1.082 1.00 0.00 C ATOM 1296 NE2 HIS A 84 -21.896 7.086 1.033 1.00 0.00 N ATOM 0 H HIS A 84 -17.293 3.313 -0.408 1.00 0.00 H new ATOM 0 HA HIS A 84 -19.533 4.569 -1.656 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -19.282 3.728 0.755 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -18.313 5.155 1.062 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -19.803 7.653 0.698 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -23.555 5.753 1.256 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -22.348 7.992 1.154 1.00 0.00 H new ATOM 1304 N TRP A 85 -16.794 6.282 -1.286 1.00 0.00 N ATOM 1305 CA TRP A 85 -16.135 7.544 -1.604 1.00 0.00 C ATOM 1306 C TRP A 85 -15.835 7.640 -3.095 1.00 0.00 C ATOM 1307 O TRP A 85 -15.895 8.722 -3.681 1.00 0.00 O ATOM 1308 CB TRP A 85 -14.840 7.682 -0.801 1.00 0.00 C ATOM 1309 CG TRP A 85 -13.876 8.666 -1.393 1.00 0.00 C ATOM 1310 CD1 TRP A 85 -13.775 9.995 -1.096 1.00 0.00 C ATOM 1311 CD2 TRP A 85 -12.880 8.397 -2.385 1.00 0.00 C ATOM 1312 NE1 TRP A 85 -12.775 10.569 -1.843 1.00 0.00 N ATOM 1313 CE2 TRP A 85 -12.210 9.610 -2.642 1.00 0.00 C ATOM 1314 CE3 TRP A 85 -12.486 7.251 -3.080 1.00 0.00 C ATOM 1315 CZ2 TRP A 85 -11.172 9.705 -3.564 1.00 0.00 C ATOM 1316 CZ3 TRP A 85 -11.456 7.347 -3.996 1.00 0.00 C ATOM 1317 CH2 TRP A 85 -10.807 8.567 -4.231 1.00 0.00 C ATOM 0 H TRP A 85 -16.162 5.538 -0.989 1.00 0.00 H new ATOM 0 HA TRP A 85 -16.810 8.356 -1.335 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -15.083 7.989 0.216 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -14.357 6.707 -0.733 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -14.391 10.518 -0.379 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -12.498 11.550 -1.808 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -12.978 6.306 -2.904 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -10.672 10.644 -3.747 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -11.146 6.467 -4.540 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -10.004 8.610 -4.952 1.00 0.00 H new ATOM 1328 N ARG A 86 -15.512 6.504 -3.705 1.00 0.00 N ATOM 1329 CA ARG A 86 -15.203 6.463 -5.129 1.00 0.00 C ATOM 1330 C ARG A 86 -16.318 7.106 -5.947 1.00 0.00 C ATOM 1331 O ARG A 86 -16.058 7.883 -6.866 1.00 0.00 O ATOM 1332 CB ARG A 86 -14.991 5.018 -5.584 1.00 0.00 C ATOM 1333 CG ARG A 86 -13.580 4.504 -5.345 1.00 0.00 C ATOM 1334 CD ARG A 86 -13.260 3.317 -6.238 1.00 0.00 C ATOM 1335 NE ARG A 86 -12.895 3.732 -7.590 1.00 0.00 N ATOM 1336 CZ ARG A 86 -12.578 2.881 -8.560 1.00 0.00 C ATOM 1337 NH1 ARG A 86 -12.582 1.575 -8.328 1.00 0.00 N ATOM 1338 NH2 ARG A 86 -12.257 3.335 -9.765 1.00 0.00 N ATOM 0 H ARG A 86 -15.458 5.600 -3.235 1.00 0.00 H new ATOM 0 HA ARG A 86 -14.285 7.028 -5.292 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -15.697 4.374 -5.060 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -15.220 4.943 -6.647 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -12.864 5.304 -5.532 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -13.469 4.215 -4.300 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -12.442 2.745 -5.801 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -14.124 2.654 -6.283 1.00 0.00 H new ATOM 0 HE ARG A 86 -12.883 4.730 -7.801 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -12.829 1.222 -7.403 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -12.338 0.924 -9.074 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -12.253 4.339 -9.948 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -12.014 2.680 -10.509 1.00 0.00 H new ATOM 1352 N ARG A 87 -17.560 6.778 -5.606 1.00 0.00 N ATOM 1353 CA ARG A 87 -18.715 7.322 -6.310 1.00 0.00 C ATOM 1354 C ARG A 87 -18.923 8.792 -5.957 1.00 0.00 C ATOM 1355 O ARG A 87 -19.569 9.533 -6.698 1.00 0.00 O ATOM 1356 CB ARG A 87 -19.972 6.521 -5.968 1.00 0.00 C ATOM 1357 CG ARG A 87 -19.900 5.063 -6.391 1.00 0.00 C ATOM 1358 CD ARG A 87 -21.140 4.296 -5.962 1.00 0.00 C ATOM 1359 NE ARG A 87 -21.224 4.160 -4.510 1.00 0.00 N ATOM 1360 CZ ARG A 87 -22.312 3.743 -3.872 1.00 0.00 C ATOM 1361 NH1 ARG A 87 -23.403 3.423 -4.555 1.00 0.00 N ATOM 1362 NH2 ARG A 87 -22.311 3.646 -2.549 1.00 0.00 N ATOM 0 H ARG A 87 -17.792 6.138 -4.846 1.00 0.00 H new ATOM 0 HA ARG A 87 -18.525 7.246 -7.381 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -20.142 6.570 -4.893 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -20.832 6.988 -6.449 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -19.790 5.002 -7.474 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -19.015 4.600 -5.954 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -22.029 4.808 -6.330 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -21.130 3.306 -6.419 1.00 0.00 H new ATOM 0 HE ARG A 87 -20.402 4.398 -3.955 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -23.408 3.497 -5.572 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -24.237 3.103 -4.063 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -21.474 3.892 -2.020 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -23.147 3.326 -2.060 1.00 0.00 H new ATOM 1376 N SER A 88 -18.372 9.206 -4.821 1.00 0.00 N ATOM 1377 CA SER A 88 -18.501 10.586 -4.367 1.00 0.00 C ATOM 1378 C SER A 88 -17.524 11.495 -5.108 1.00 0.00 C ATOM 1379 O SER A 88 -17.848 12.637 -5.432 1.00 0.00 O ATOM 1380 CB SER A 88 -18.255 10.675 -2.860 1.00 0.00 C ATOM 1381 OG SER A 88 -19.439 10.393 -2.133 1.00 0.00 O ATOM 0 H SER A 88 -17.832 8.606 -4.198 1.00 0.00 H new ATOM 0 HA SER A 88 -19.516 10.920 -4.582 1.00 0.00 H new ATOM 0 HB2 SER A 88 -17.473 9.972 -2.574 1.00 0.00 H new ATOM 0 HB3 SER A 88 -17.897 11.672 -2.605 1.00 0.00 H new ATOM 0 HG SER A 88 -19.224 10.297 -1.182 1.00 0.00 H new ATOM 1387 N GLN A 89 -16.329 10.978 -5.371 1.00 0.00 N ATOM 1388 CA GLN A 89 -15.304 11.743 -6.072 1.00 0.00 C ATOM 1389 C GLN A 89 -15.112 13.113 -5.430 1.00 0.00 C ATOM 1390 O GLN A 89 -15.167 14.139 -6.107 1.00 0.00 O ATOM 1391 CB GLN A 89 -15.679 11.906 -7.547 1.00 0.00 C ATOM 1392 CG GLN A 89 -15.191 10.766 -8.427 1.00 0.00 C ATOM 1393 CD GLN A 89 -16.080 10.540 -9.634 1.00 0.00 C ATOM 1394 OE1 GLN A 89 -15.643 10.678 -10.777 1.00 0.00 O ATOM 1395 NE2 GLN A 89 -17.337 10.191 -9.387 1.00 0.00 N ATOM 0 H GLN A 89 -16.046 10.033 -5.110 1.00 0.00 H new ATOM 0 HA GLN A 89 -14.365 11.194 -6.001 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -16.763 11.981 -7.632 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -15.264 12.843 -7.918 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -14.176 10.980 -8.763 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -15.146 9.850 -7.837 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -17.658 10.088 -8.424 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -17.982 10.026 -10.160 1.00 0.00 H new ATOM 1404 N MET A 90 -14.888 13.120 -4.120 1.00 0.00 N ATOM 1405 CA MET A 90 -14.687 14.365 -3.387 1.00 0.00 C ATOM 1406 C MET A 90 -13.434 15.086 -3.873 1.00 0.00 C ATOM 1407 O MET A 90 -12.473 14.454 -4.311 1.00 0.00 O ATOM 1408 CB MET A 90 -14.579 14.086 -1.887 1.00 0.00 C ATOM 1409 CG MET A 90 -15.720 13.242 -1.342 1.00 0.00 C ATOM 1410 SD MET A 90 -17.131 14.236 -0.819 1.00 0.00 S ATOM 1411 CE MET A 90 -18.036 13.047 0.169 1.00 0.00 C ATOM 0 H MET A 90 -14.841 12.279 -3.545 1.00 0.00 H new ATOM 0 HA MET A 90 -15.548 15.008 -3.569 1.00 0.00 H new ATOM 0 HB2 MET A 90 -13.635 13.579 -1.687 1.00 0.00 H new ATOM 0 HB3 MET A 90 -14.551 15.034 -1.350 1.00 0.00 H new ATOM 0 HG2 MET A 90 -16.042 12.536 -2.107 1.00 0.00 H new ATOM 0 HG3 MET A 90 -15.361 12.655 -0.497 1.00 0.00 H new ATOM 0 HE1 MET A 90 -19.077 13.360 0.252 1.00 0.00 H new ATOM 0 HE2 MET A 90 -17.988 12.067 -0.306 1.00 0.00 H new ATOM 0 HE3 MET A 90 -17.594 12.989 1.164 1.00 0.00 H new ATOM 1421 N SER A 91 -13.452 16.413 -3.794 1.00 0.00 N ATOM 1422 CA SER A 91 -12.319 17.221 -4.230 1.00 0.00 C ATOM 1423 C SER A 91 -11.006 16.633 -3.722 1.00 0.00 C ATOM 1424 O SER A 91 -9.997 16.640 -4.426 1.00 0.00 O ATOM 1425 CB SER A 91 -12.472 18.660 -3.736 1.00 0.00 C ATOM 1426 OG SER A 91 -11.668 19.547 -4.494 1.00 0.00 O ATOM 0 H SER A 91 -14.239 16.951 -3.432 1.00 0.00 H new ATOM 0 HA SER A 91 -12.300 17.219 -5.320 1.00 0.00 H new ATOM 0 HB2 SER A 91 -13.517 18.962 -3.805 1.00 0.00 H new ATOM 0 HB3 SER A 91 -12.192 18.719 -2.684 1.00 0.00 H new ATOM 0 HG SER A 91 -11.785 20.461 -4.160 1.00 0.00 H new ATOM 1432 N MET A 92 -11.028 16.125 -2.494 1.00 0.00 N ATOM 1433 CA MET A 92 -9.840 15.533 -1.891 1.00 0.00 C ATOM 1434 C MET A 92 -9.834 14.019 -2.077 1.00 0.00 C ATOM 1435 O MET A 92 -10.876 13.385 -2.243 1.00 0.00 O ATOM 1436 CB MET A 92 -9.773 15.875 -0.401 1.00 0.00 C ATOM 1437 CG MET A 92 -10.470 14.857 0.488 1.00 0.00 C ATOM 1438 SD MET A 92 -12.246 14.773 0.189 1.00 0.00 S ATOM 1439 CE MET A 92 -12.881 15.341 1.765 1.00 0.00 C ATOM 0 H MET A 92 -11.855 16.112 -1.897 1.00 0.00 H new ATOM 0 HA MET A 92 -8.965 15.947 -2.391 1.00 0.00 H new ATOM 0 HB2 MET A 92 -8.728 15.952 -0.101 1.00 0.00 H new ATOM 0 HB3 MET A 92 -10.224 16.854 -0.241 1.00 0.00 H new ATOM 0 HG2 MET A 92 -10.031 13.874 0.321 1.00 0.00 H new ATOM 0 HG3 MET A 92 -10.293 15.112 1.533 1.00 0.00 H new ATOM 0 HE1 MET A 92 -13.853 15.813 1.617 1.00 0.00 H new ATOM 0 HE2 MET A 92 -12.988 14.493 2.441 1.00 0.00 H new ATOM 0 HE3 MET A 92 -12.189 16.064 2.197 1.00 0.00 H new ATOM 1449 N PRO A 93 -8.632 13.423 -2.051 1.00 0.00 N ATOM 1450 CA PRO A 93 -8.461 11.977 -2.215 1.00 0.00 C ATOM 1451 C PRO A 93 -8.986 11.191 -1.018 1.00 0.00 C ATOM 1452 O PRO A 93 -9.010 11.695 0.105 1.00 0.00 O ATOM 1453 CB PRO A 93 -6.945 11.810 -2.341 1.00 0.00 C ATOM 1454 CG PRO A 93 -6.374 12.992 -1.636 1.00 0.00 C ATOM 1455 CD PRO A 93 -7.347 14.117 -1.858 1.00 0.00 C ATOM 0 HA PRO A 93 -9.018 11.596 -3.071 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.610 10.878 -1.886 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.635 11.784 -3.386 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -6.248 12.789 -0.572 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -5.390 13.244 -2.031 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -7.380 14.794 -1.004 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -7.078 14.715 -2.729 1.00 0.00 H new ATOM 1463 N PHE A 94 -9.404 9.954 -1.265 1.00 0.00 N ATOM 1464 CA PHE A 94 -9.929 9.099 -0.206 1.00 0.00 C ATOM 1465 C PHE A 94 -9.122 9.267 1.078 1.00 0.00 C ATOM 1466 O PHE A 94 -9.685 9.453 2.156 1.00 0.00 O ATOM 1467 CB PHE A 94 -9.908 7.634 -0.648 1.00 0.00 C ATOM 1468 CG PHE A 94 -10.125 6.666 0.480 1.00 0.00 C ATOM 1469 CD1 PHE A 94 -11.400 6.413 0.958 1.00 0.00 C ATOM 1470 CD2 PHE A 94 -9.053 6.007 1.060 1.00 0.00 C ATOM 1471 CE1 PHE A 94 -11.602 5.523 1.995 1.00 0.00 C ATOM 1472 CE2 PHE A 94 -9.249 5.115 2.098 1.00 0.00 C ATOM 1473 CZ PHE A 94 -10.526 4.872 2.565 1.00 0.00 C ATOM 0 H PHE A 94 -9.390 9.521 -2.189 1.00 0.00 H new ATOM 0 HA PHE A 94 -10.959 9.397 -0.008 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -10.679 7.479 -1.403 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -8.950 7.419 -1.122 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -12.246 6.917 0.515 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -8.053 6.192 0.697 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -12.601 5.336 2.360 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -8.405 4.609 2.543 1.00 0.00 H new ATOM 0 HZ PHE A 94 -10.683 4.174 3.374 1.00 0.00 H new ATOM 1483 N GLN A 95 -7.800 9.198 0.953 1.00 0.00 N ATOM 1484 CA GLN A 95 -6.916 9.341 2.103 1.00 0.00 C ATOM 1485 C GLN A 95 -7.455 10.382 3.079 1.00 0.00 C ATOM 1486 O GLN A 95 -7.845 10.053 4.199 1.00 0.00 O ATOM 1487 CB GLN A 95 -5.510 9.733 1.647 1.00 0.00 C ATOM 1488 CG GLN A 95 -4.510 9.846 2.786 1.00 0.00 C ATOM 1489 CD GLN A 95 -3.386 10.818 2.482 1.00 0.00 C ATOM 1490 OE1 GLN A 95 -2.222 10.429 2.388 1.00 0.00 O ATOM 1491 NE2 GLN A 95 -3.731 12.091 2.326 1.00 0.00 N ATOM 0 H GLN A 95 -7.318 9.044 0.067 1.00 0.00 H new ATOM 0 HA GLN A 95 -6.870 8.380 2.615 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -5.150 8.994 0.931 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -5.560 10.687 1.123 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -5.029 10.167 3.689 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -4.089 8.862 2.993 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -4.709 12.369 2.413 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -3.018 12.791 2.119 1.00 0.00 H new ATOM 1500 N GLN A 96 -7.474 11.638 2.645 1.00 0.00 N ATOM 1501 CA GLN A 96 -7.965 12.727 3.482 1.00 0.00 C ATOM 1502 C GLN A 96 -9.303 12.365 4.117 1.00 0.00 C ATOM 1503 O GLN A 96 -9.422 12.295 5.340 1.00 0.00 O ATOM 1504 CB GLN A 96 -8.108 14.007 2.657 1.00 0.00 C ATOM 1505 CG GLN A 96 -6.853 14.865 2.641 1.00 0.00 C ATOM 1506 CD GLN A 96 -6.958 16.037 1.687 1.00 0.00 C ATOM 1507 OE1 GLN A 96 -6.426 15.999 0.577 1.00 0.00 O ATOM 1508 NE2 GLN A 96 -7.649 17.088 2.113 1.00 0.00 N ATOM 0 H GLN A 96 -7.156 11.927 1.720 1.00 0.00 H new ATOM 0 HA GLN A 96 -7.240 12.895 4.278 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -8.370 13.742 1.633 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -8.935 14.595 3.055 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -6.659 15.237 3.647 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -6.000 14.248 2.360 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -8.074 17.077 3.040 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -7.755 17.906 1.513 1.00 0.00 H new ATOM 1517 N TRP A 97 -10.308 12.137 3.278 1.00 0.00 N ATOM 1518 CA TRP A 97 -11.638 11.782 3.758 1.00 0.00 C ATOM 1519 C TRP A 97 -11.555 10.779 4.903 1.00 0.00 C ATOM 1520 O TRP A 97 -12.071 11.023 5.993 1.00 0.00 O ATOM 1521 CB TRP A 97 -12.477 11.204 2.617 1.00 0.00 C ATOM 1522 CG TRP A 97 -13.917 11.000 2.982 1.00 0.00 C ATOM 1523 CD1 TRP A 97 -14.820 11.965 3.327 1.00 0.00 C ATOM 1524 CD2 TRP A 97 -14.617 9.753 3.042 1.00 0.00 C ATOM 1525 NE1 TRP A 97 -16.039 11.393 3.596 1.00 0.00 N ATOM 1526 CE2 TRP A 97 -15.942 10.037 3.428 1.00 0.00 C ATOM 1527 CE3 TRP A 97 -14.255 8.424 2.804 1.00 0.00 C ATOM 1528 CZ2 TRP A 97 -16.902 9.041 3.582 1.00 0.00 C ATOM 1529 CZ3 TRP A 97 -15.209 7.437 2.958 1.00 0.00 C ATOM 1530 CH2 TRP A 97 -16.520 7.749 3.343 1.00 0.00 C ATOM 0 H TRP A 97 -10.227 12.192 2.263 1.00 0.00 H new ATOM 0 HA TRP A 97 -12.117 12.688 4.129 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -12.419 11.872 1.758 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -12.049 10.250 2.308 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -14.607 13.022 3.380 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -16.881 11.897 3.876 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -13.248 8.173 2.505 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -17.912 9.279 3.880 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -14.940 6.407 2.779 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -17.243 6.954 3.453 1.00 0.00 H new ATOM 1541 N GLU A 98 -10.901 9.650 4.648 1.00 0.00 N ATOM 1542 CA GLU A 98 -10.751 8.610 5.659 1.00 0.00 C ATOM 1543 C GLU A 98 -10.551 9.221 7.043 1.00 0.00 C ATOM 1544 O GLU A 98 -11.126 8.757 8.027 1.00 0.00 O ATOM 1545 CB GLU A 98 -9.570 7.700 5.316 1.00 0.00 C ATOM 1546 CG GLU A 98 -9.735 6.274 5.815 1.00 0.00 C ATOM 1547 CD GLU A 98 -9.646 6.170 7.325 1.00 0.00 C ATOM 1548 OE1 GLU A 98 -8.546 6.401 7.871 1.00 0.00 O ATOM 1549 OE2 GLU A 98 -10.674 5.858 7.960 1.00 0.00 O ATOM 0 H GLU A 98 -10.467 9.432 3.751 1.00 0.00 H new ATOM 0 HA GLU A 98 -11.666 8.017 5.671 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -9.437 7.684 4.234 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -8.661 8.123 5.743 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -10.699 5.887 5.484 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -8.967 5.645 5.365 1.00 0.00 H new ATOM 1556 N ALA A 99 -9.731 10.264 7.109 1.00 0.00 N ATOM 1557 CA ALA A 99 -9.456 10.940 8.371 1.00 0.00 C ATOM 1558 C ALA A 99 -10.616 11.843 8.775 1.00 0.00 C ATOM 1559 O ALA A 99 -10.980 11.915 9.950 1.00 0.00 O ATOM 1560 CB ALA A 99 -8.169 11.746 8.268 1.00 0.00 C ATOM 0 H ALA A 99 -9.245 10.659 6.304 1.00 0.00 H new ATOM 0 HA ALA A 99 -9.336 10.180 9.143 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -7.976 12.246 9.217 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -7.340 11.079 8.034 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -8.269 12.492 7.479 1.00 0.00 H new ATOM 1566 N LEU A 100 -11.194 12.530 7.796 1.00 0.00 N ATOM 1567 CA LEU A 100 -12.314 13.429 8.050 1.00 0.00 C ATOM 1568 C LEU A 100 -13.457 12.693 8.742 1.00 0.00 C ATOM 1569 O LEU A 100 -13.902 13.089 9.818 1.00 0.00 O ATOM 1570 CB LEU A 100 -12.808 14.044 6.739 1.00 0.00 C ATOM 1571 CG LEU A 100 -12.062 15.290 6.260 1.00 0.00 C ATOM 1572 CD1 LEU A 100 -10.667 14.925 5.779 1.00 0.00 C ATOM 1573 CD2 LEU A 100 -12.844 15.988 5.157 1.00 0.00 C ATOM 0 H LEU A 100 -10.906 12.482 6.819 1.00 0.00 H new ATOM 0 HA LEU A 100 -11.967 14.225 8.709 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -12.746 13.285 5.959 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -13.862 14.298 6.854 1.00 0.00 H new ATOM 0 HG LEU A 100 -11.965 15.978 7.100 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -10.151 15.824 5.442 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -10.107 14.471 6.597 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -10.740 14.218 4.953 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -12.299 16.873 4.828 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -12.973 15.307 4.316 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -13.822 16.285 5.536 1.00 0.00 H new ATOM 1585 N ASN A 101 -13.927 11.618 8.116 1.00 0.00 N ATOM 1586 CA ASN A 101 -15.017 10.825 8.672 1.00 0.00 C ATOM 1587 C ASN A 101 -14.943 10.791 10.195 1.00 0.00 C ATOM 1588 O ASN A 101 -15.938 11.027 10.881 1.00 0.00 O ATOM 1589 CB ASN A 101 -14.974 9.400 8.116 1.00 0.00 C ATOM 1590 CG ASN A 101 -15.582 8.390 9.069 1.00 0.00 C ATOM 1591 OD1 ASN A 101 -16.803 8.305 9.206 1.00 0.00 O ATOM 1592 ND2 ASN A 101 -14.731 7.616 9.733 1.00 0.00 N ATOM 0 H ASN A 101 -13.570 11.277 7.224 1.00 0.00 H new ATOM 0 HA ASN A 101 -15.958 11.293 8.382 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -15.508 9.367 7.166 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -13.940 9.124 7.910 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -15.082 6.917 10.387 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -13.727 7.721 9.588 1.00 0.00 H new ATOM 1599 N ASP A 102 -13.758 10.498 10.718 1.00 0.00 N ATOM 1600 CA ASP A 102 -13.553 10.434 12.160 1.00 0.00 C ATOM 1601 C ASP A 102 -14.398 11.484 12.876 1.00 0.00 C ATOM 1602 O ASP A 102 -14.220 12.684 12.670 1.00 0.00 O ATOM 1603 CB ASP A 102 -12.074 10.637 12.496 1.00 0.00 C ATOM 1604 CG ASP A 102 -11.815 10.644 13.990 1.00 0.00 C ATOM 1605 OD1 ASP A 102 -12.550 9.949 14.723 1.00 0.00 O ATOM 1606 OD2 ASP A 102 -10.878 11.343 14.426 1.00 0.00 O ATOM 0 H ASP A 102 -12.924 10.301 10.165 1.00 0.00 H new ATOM 0 HA ASP A 102 -13.864 9.447 12.503 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -11.487 9.844 12.032 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -11.733 11.579 12.067 1.00 0.00 H new ATOM 1611 N SER A 103 -15.318 11.022 13.717 1.00 0.00 N ATOM 1612 CA SER A 103 -16.194 11.921 14.460 1.00 0.00 C ATOM 1613 C SER A 103 -15.887 11.867 15.953 1.00 0.00 C ATOM 1614 O SER A 103 -16.326 10.958 16.657 1.00 0.00 O ATOM 1615 CB SER A 103 -17.659 11.556 14.215 1.00 0.00 C ATOM 1616 OG SER A 103 -18.129 12.118 13.002 1.00 0.00 O ATOM 0 H SER A 103 -15.476 10.031 13.901 1.00 0.00 H new ATOM 0 HA SER A 103 -16.016 12.937 14.107 1.00 0.00 H new ATOM 0 HB2 SER A 103 -17.766 10.472 14.183 1.00 0.00 H new ATOM 0 HB3 SER A 103 -18.269 11.912 15.045 1.00 0.00 H new ATOM 0 HG SER A 103 -17.526 11.869 12.271 1.00 0.00 H new ATOM 1622 N VAL A 104 -15.129 12.850 16.431 1.00 0.00 N ATOM 1623 CA VAL A 104 -14.763 12.917 17.840 1.00 0.00 C ATOM 1624 C VAL A 104 -15.669 13.881 18.598 1.00 0.00 C ATOM 1625 O VAL A 104 -16.279 13.517 19.604 1.00 0.00 O ATOM 1626 CB VAL A 104 -13.298 13.358 18.020 1.00 0.00 C ATOM 1627 CG1 VAL A 104 -12.944 13.445 19.496 1.00 0.00 C ATOM 1628 CG2 VAL A 104 -12.362 12.404 17.293 1.00 0.00 C ATOM 0 H VAL A 104 -14.757 13.611 15.862 1.00 0.00 H new ATOM 0 HA VAL A 104 -14.885 11.913 18.246 1.00 0.00 H new ATOM 0 HB VAL A 104 -13.179 14.350 17.584 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -11.905 13.758 19.603 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -13.594 14.171 19.984 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -13.078 12.468 19.961 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -11.331 12.730 17.431 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -12.481 11.399 17.697 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -12.602 12.399 16.230 1.00 0.00 H new ATOM 1638 N LYS A 105 -15.754 15.113 18.108 1.00 0.00 N ATOM 1639 CA LYS A 105 -16.587 16.131 18.737 1.00 0.00 C ATOM 1640 C LYS A 105 -17.709 16.570 17.801 1.00 0.00 C ATOM 1641 O LYS A 105 -17.493 16.765 16.604 1.00 0.00 O ATOM 1642 CB LYS A 105 -15.738 17.340 19.135 1.00 0.00 C ATOM 1643 CG LYS A 105 -14.802 17.069 20.300 1.00 0.00 C ATOM 1644 CD LYS A 105 -14.495 18.339 21.075 1.00 0.00 C ATOM 1645 CE LYS A 105 -13.212 18.203 21.881 1.00 0.00 C ATOM 1646 NZ LYS A 105 -13.354 17.217 22.988 1.00 0.00 N ATOM 0 H LYS A 105 -15.256 15.431 17.277 1.00 0.00 H new ATOM 0 HA LYS A 105 -17.033 15.698 19.632 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -15.150 17.660 18.274 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -16.398 18.167 19.395 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -15.253 16.335 20.967 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -13.874 16.635 19.929 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -14.404 19.176 20.383 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -15.324 18.568 21.745 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -12.400 17.895 21.222 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -12.937 19.174 22.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -12.459 17.153 23.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -14.112 17.524 23.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -13.591 16.284 22.594 1.00 0.00 H new ATOM 1660 N THR A 106 -18.908 16.726 18.354 1.00 0.00 N ATOM 1661 CA THR A 106 -20.063 17.142 17.569 1.00 0.00 C ATOM 1662 C THR A 106 -19.731 18.350 16.700 1.00 0.00 C ATOM 1663 O THR A 106 -19.821 19.493 17.147 1.00 0.00 O ATOM 1664 CB THR A 106 -21.261 17.489 18.473 1.00 0.00 C ATOM 1665 OG1 THR A 106 -20.849 18.388 19.509 1.00 0.00 O ATOM 1666 CG2 THR A 106 -21.854 16.232 19.092 1.00 0.00 C ATOM 0 H THR A 106 -19.104 16.570 19.343 1.00 0.00 H new ATOM 0 HA THR A 106 -20.331 16.300 16.930 1.00 0.00 H new ATOM 0 HB THR A 106 -22.024 17.968 17.859 1.00 0.00 H new ATOM 0 HG1 THR A 106 -20.416 19.171 19.109 1.00 0.00 H new ATOM 0 HG21 THR A 106 -22.698 16.502 19.726 1.00 0.00 H new ATOM 0 HG22 THR A 106 -22.193 15.562 18.302 1.00 0.00 H new ATOM 0 HG23 THR A 106 -21.096 15.729 19.692 1.00 0.00 H new ATOM 1674 N SER A 107 -19.347 18.088 15.454 1.00 0.00 N ATOM 1675 CA SER A 107 -18.998 19.154 14.522 1.00 0.00 C ATOM 1676 C SER A 107 -18.714 18.590 13.134 1.00 0.00 C ATOM 1677 O SER A 107 -18.223 17.471 12.994 1.00 0.00 O ATOM 1678 CB SER A 107 -17.779 19.926 15.031 1.00 0.00 C ATOM 1679 OG SER A 107 -17.569 21.105 14.273 1.00 0.00 O ATOM 0 H SER A 107 -19.270 17.147 15.067 1.00 0.00 H new ATOM 0 HA SER A 107 -19.847 19.834 14.452 1.00 0.00 H new ATOM 0 HB2 SER A 107 -17.921 20.185 16.080 1.00 0.00 H new ATOM 0 HB3 SER A 107 -16.894 19.292 14.976 1.00 0.00 H new ATOM 0 HG SER A 107 -16.786 21.581 14.619 1.00 0.00 H new ATOM 1685 N GLY A 108 -19.027 19.376 12.107 1.00 0.00 N ATOM 1686 CA GLY A 108 -18.799 18.939 10.742 1.00 0.00 C ATOM 1687 C GLY A 108 -19.493 19.824 9.727 1.00 0.00 C ATOM 1688 O GLY A 108 -19.915 20.941 10.030 1.00 0.00 O ATOM 0 H GLY A 108 -19.434 20.307 12.197 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -17.728 18.931 10.540 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -19.152 17.914 10.628 1.00 0.00 H new ATOM 1692 N PRO A 109 -19.618 19.325 8.488 1.00 0.00 N ATOM 1693 CA PRO A 109 -20.265 20.062 7.399 1.00 0.00 C ATOM 1694 C PRO A 109 -21.770 20.197 7.603 1.00 0.00 C ATOM 1695 O PRO A 109 -22.471 20.766 6.766 1.00 0.00 O ATOM 1696 CB PRO A 109 -19.967 19.207 6.165 1.00 0.00 C ATOM 1697 CG PRO A 109 -19.763 17.831 6.698 1.00 0.00 C ATOM 1698 CD PRO A 109 -19.139 18.001 8.056 1.00 0.00 C ATOM 0 HA PRO A 109 -19.896 21.085 7.325 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -20.792 19.238 5.453 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -19.081 19.564 5.641 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -20.710 17.295 6.768 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -19.116 17.250 6.041 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -19.453 17.216 8.744 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -18.051 17.964 8.006 1.00 0.00 H new ATOM 1706 N SER A 110 -22.261 19.670 8.720 1.00 0.00 N ATOM 1707 CA SER A 110 -23.684 19.728 9.032 1.00 0.00 C ATOM 1708 C SER A 110 -24.240 21.125 8.772 1.00 0.00 C ATOM 1709 O SER A 110 -23.975 22.061 9.526 1.00 0.00 O ATOM 1710 CB SER A 110 -23.924 19.335 10.491 1.00 0.00 C ATOM 1711 OG SER A 110 -25.310 19.238 10.771 1.00 0.00 O ATOM 0 H SER A 110 -21.694 19.198 9.424 1.00 0.00 H new ATOM 0 HA SER A 110 -24.203 19.022 8.383 1.00 0.00 H new ATOM 0 HB2 SER A 110 -23.440 18.381 10.698 1.00 0.00 H new ATOM 0 HB3 SER A 110 -23.467 20.074 11.150 1.00 0.00 H new ATOM 0 HG SER A 110 -25.437 18.984 11.709 1.00 0.00 H new ATOM 1717 N SER A 111 -25.013 21.257 7.699 1.00 0.00 N ATOM 1718 CA SER A 111 -25.604 22.539 7.335 1.00 0.00 C ATOM 1719 C SER A 111 -27.125 22.435 7.262 1.00 0.00 C ATOM 1720 O SER A 111 -27.700 21.383 7.537 1.00 0.00 O ATOM 1721 CB SER A 111 -25.050 23.018 5.993 1.00 0.00 C ATOM 1722 OG SER A 111 -24.865 21.933 5.101 1.00 0.00 O ATOM 0 H SER A 111 -25.245 20.491 7.066 1.00 0.00 H new ATOM 0 HA SER A 111 -25.343 23.263 8.107 1.00 0.00 H new ATOM 0 HB2 SER A 111 -25.734 23.743 5.552 1.00 0.00 H new ATOM 0 HB3 SER A 111 -24.101 23.530 6.150 1.00 0.00 H new ATOM 0 HG SER A 111 -24.064 21.430 5.359 1.00 0.00 H new ATOM 1728 N GLY A 112 -27.770 23.536 6.890 1.00 0.00 N ATOM 1729 CA GLY A 112 -29.218 23.549 6.788 1.00 0.00 C ATOM 1730 C GLY A 112 -29.721 24.604 5.822 1.00 0.00 C ATOM 1731 O GLY A 112 -28.931 25.321 5.209 1.00 0.00 O ATOM 0 H GLY A 112 -27.316 24.419 6.657 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -29.565 22.568 6.463 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -29.647 23.729 7.774 1.00 0.00 H new TER 1735 GLY A 112